# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-13T00:09:57+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2020 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1551255","14.0172","0.001","14.593","0.001","25.8504","0.0018","105.431","0.001","95.932","0.002","100.167","0.002","4953.8","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cd4 N8 O28 P8 Si2 -","- C96 H71.393 Cd4 N8 O29 P8 Si2 -","- C192 H142.786 Cd8 N16 O58 P16 Si4 -","2","1","","Ai, Jing; Tian, Hong-Rui; Min, Xue; Wang, Zi-Chuan; Sun, Zhong-Ming","A fast and highly selective Congo red adsorption material based on a cadmium-phosphonate network.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3700","3705","10.1039/c9dt01545k","","","0.71073","MoKα","","0.086","0.0601","","","0.1388","0.1569","","","","","","1.102","","","","has coordinates","250313","2020-10-21","18:00:00",""
"1552151","7.5979","0.0002","32.4387","0.0006","16.8075","0.0004","90","","115.761","0.002","90","","3730.78","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 B N2 -","- C48 H45 B N2 -","- C192 H180 B4 N8 -","4","1","","Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","A “simple” donor‒acceptor AIEgen with multi-stimuli responsive behavior","Materials Horizons","2020","7","1","135","142","10.1039/C9MH01041F","","","1.54184","CuKα","","0.0755","0.0592","","","0.1532","0.1638","","","","","","1.068","","","","has coordinates","258152","2020-10-21","18:00:00",""
"1552310","10.11","0.0009","12.7449","0.0011","14.2331","0.0012","85.456","0.002","75.679","0.001","87.617","0.003","1770.9","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 N O4 P Pd S2 -","- C33 H30 N O4 P Pd S2 -","- C66 H60 N2 O8 P2 Pd2 S4 -","2","1","","Tan, Chen; Qasim, Muhammad; Pang, Wenmin; Chen, Changle","Ligand‒metal secondary interactions in phosphine‒sulfonate palladium and nickel catalyzed ethylene (co)polymerization","Polymer Chemistry","2020","11","2","411","416","10.1039/C9PY00904C","","","0.71073","MoKα","","0.1981","0.1027","","","0.2199","0.2451","","","","","","1.007","","","","has coordinates","257938","2020-10-21","18:00:00",""
"1552372","9.3882","0.0002","12.9082","0.0002","13.5032","0.0003","117.037","0.002","96.017","0.002","103.315","0.002","1376.31","0.06","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H52 Br2 P4 Ru S2 -","- C64 H52 Br2 P4 Ru S2 -","- C64 H52 Br2 P4 Ru S2 -","1","0.5","","Ho, Po-Yuen; Komber, Hartmut; Horatz, Kilian; Tsuda, Takuya; Mannsfeld, Stefan C. B.; Dmitrieva, Evgenia; Blacque, Olivier; Kraft, Ulrike; Sirringhaus, Henning; Lissel, Franziska","Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne","Polymer Chemistry","2020","11","2","472","479","10.1039/C9PY01090D","","x-ray","1.54184","CuKα","","0.0318","0.0312","","","0.0833","0.0837","","","","","","1.061","","","","has coordinates","257939","2020-10-21","18:00:00",""
"1552456","8.97942","0.00005","10.9358","0.00006","27.051","0.00016","90","","90","","90","","2656.33","0.03","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N2 O5 -","- C31 H23 F3 N2 O5 -","- C124 H92 F12 N8 O20 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","","1.54184","CuKα","","0.0268","0.0267","","","0.0699","0.07","","","","","","1.067","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552457","19.7387","0.0004","13.4237","0.0003","9.3356","0.0002","90","","93.107","0.002","90","","2469.98","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C112 H104 F12 N12 O8 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0567","0.0525","","","0.1495","0.1525","","","","","","1.04","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552458","13.5575","0.0002","23.9425","0.0003","19.8418","0.0003","90","","93.584","0.002","90","","6428.06","0.16","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C280 H260 F30 N30 O20 -","10","5","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1046","0.1093","","","","","","0.998","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552477","9.6444","0.0003","12.2441","0.0003","19.4216","0.0004","93.6475","0.0017","99.9526","0.0019","92.348","0.002","2251.2","0.1","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H58 O14 -","- C51 H58 O14 -","- C102 H116 O28 -","2","1","","Xu, Xiaowen; Jerca, Florica Adriana; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard","High compression strength single network hydrogels with pillar[5]arene junction points","Materials Horizons","2020","7","2","566","573","10.1039/C9MH01401B","","x-ray","1.54184","CuKα","","0.0516","0.0433","","","0.1122","0.1197","","","","","","1.04","","","","has coordinates,has disorder","258155","2020-10-21","18:00:00",""
"1552504","39.763","0.002","37.788","0.002","8.9491","0.0005","90","","90","","90","","13446.6","1.2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H22 B N -","- C20 H22 B N -","- C640 H704 B32 N32 -","32","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0618","0.0468","","","0.1267","0.1391","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552505","11.605","0.0005","9.0305","0.0005","15.7985","0.0008","90","","102.127","0.0016","90","","1618.72","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B Cr O3 S -","- C17 H17 B Cr O3 S -","- C68 H68 B4 Cr4 O12 S4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.044","0.0325","","","0.0727","0.0778","","","","","","1.053","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552506","8.7781","0.0009","10.9283","0.0011","12.3004","0.0012","70.809","0.004","87.538","0.005","79.597","0.005","1095.91","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 B O -","- C28 H27 B O -","- C56 H54 B2 O2 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0648","0.0472","","","0.1116","0.1213","","","","","","1.049","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552507","13.441","0.0008","13.1854","0.0008","24.0772","0.0016","90","","94.762","0.002","90","","4252.4","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 B O -","- C27 H27 B O -","- C216 H216 B8 O8 -","8","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.058","0.0437","","","0.1059","0.1127","","","","","","1.098","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552508","14.454","0.002","7.2349","0.0007","21.474","0.003","90","","100.708","0.004","90","","2206.5","0.5","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B O -","- C28 H29 B O -","- C112 H116 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.1359","0.0553","","","0.1092","0.1356","","","","","","1.006","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552533","13.885","0.002","17.841","0.003","22.499","0.004","83.99","0.002","73.932","0.002","85.868","0.002","5320.9","1.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 F24 N14 P4 Ru2 -","- C88 H76 F24 N14 P4 Ru2 -","- C176 H152 F48 N28 P8 Ru4 -","2","1","","Smitten, Kirsty L.; Fairbanks, Simon D.; Robertson, Craig C.; Bernardino de la Serna, Jorge; Foster, Simon J.; Thomas, Jim A.","Ruthenium based antimicrobial theranostics - using nanoscopy to identify therapeutic targets and resistance mechanisms in <i>Staphylococcus aureus</i>.","Chemical science","2020","11","1","70","79","10.1039/c9sc04710g","","","0.71073","MoKα","","0.1711","0.091","","","0.2262","0.2806","","","","","","1.026","","","","has coordinates","248868","2020-10-21","18:00:00",""
"1552713","14.8195","0.0008","20.8662","0.0012","9.5394","0.0007","90","","90","","90","","2949.8","0.3","100","2","99.99","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S2 -","- C44 H42 F18 N6 P3 S2 -","- C88 H84 F36 N12 P6 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1185","0.1123","","","0.2975","0.3018","","","","","","1.05","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552714","19.886","0.004","20.698","0.004","20.515","0.004","90","","90","","90","","8444","3","100","2","100.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C78 H73 F30 N11 P5 -","- C78 H73 F30 N11 P5 -","- C312 H292 F120 N44 P20 -","4","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0876","0.0542","","","0.1341","0.1579","","","","","","1.051","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552715","14.1423","0.0006","21.9108","0.0007","9.5937","0.0003","90","","90","","90","","2972.79","0.18","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C48 H46 F18 N6 P3 -","- C48 H46 F18 N6 P3 -","- C96 H92 F36 N12 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1427","0.1009","","","0.314","0.3523","","","","","","1.195","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552716","7.4563","0.0011","20.125","0.003","13.948","0.002","90","","91.831","0.008","90","","2091.9","0.5","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F24 N4 P4 -","- C36 H32 F24 N4 P4 -","- C72 H64 F48 N8 P8 -","2","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0573","0.0485","","","0.1188","0.1248","","","","","","1.066","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552717","10.3821","0.0005","21.5348","0.0009","9.6558","0.0004","90","","90","","90","","2158.81","0.16","100","2","99.98","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C32 H28 F12 N4 P2 S2 -","- C32 H28 F12 N4 P2 S2 -","- C64 H56 F24 N8 P4 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0525","0.0471","","","0.1507","0.1561","","","","","","1.08","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552718","11.2904","0.0011","16.9439","0.0018","24.966","0.003","75.157","0.01","86.061","0.011","86.58","0.009","4601.4","0.9","99.98","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 F24 N5 P4 -","- C35 H31 F24 N5 P4 -","- C140 H124 F96 N20 P16 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","x-ray","1.54184","CuKα","","0.3412","0.2375","","","0.5158","0.605","","","","","","1.535","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552719","10.266","0.0006","21.7433","0.0014","9.8244","0.0006","90","","90","","90","","2193","0.2","100","2","100.01","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C34 H30 F12 N4 P2 S -","- C34 H30 F12 N4 P2 S -","- C68 H60 F24 N8 P4 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0585","0.0509","","","0.1542","0.1601","","","","","","1.073","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552720","14.8597","0.0015","21.003","0.002","9.5902","0.0009","90","","90","","90","","2993.1","0.5","100","2","99.95","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S -","- C44 H42 F18 N6 P3 S -","- C88 H84 F36 N12 P6 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1497","0.1358","","","0.3484","0.3577","","","","","","1.062","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552721","13.603","0.0013","13.8062","0.0013","16.0216","0.0016","101.314","0.006","111.832","0.006","107.987","0.006","2486.3","0.5","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C72 H66 F48 N10 P8 S2 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","0.71073","MoKα","","0.2373","0.1355","","","0.3849","0.4408","","","","","","1.299","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552722","14.1183","0.0009","21.8905","0.0011","9.5412","0.0005","90","","90","","90","","2948.8","0.3","100","2","99.98","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C47 H45 F18 N7 P3 -","- C47 H45 F18 N7 P3 -","- C94 H90 F36 N14 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1384","0.125","","","0.3812","0.4081","","","","","","1.821","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552748","12.248","0.003","7.6422","0.0018","15.829","0.004","90","","104.923","0.004","90","","1431.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C40 H56 Br4 Cu4 N4 O28 S4 -","2","0.5","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0401","0.0332","","","0.0865","0.0896","","","","","","1.059","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552749","15.5234","0.0007","19.2687","0.0005","19.1761","0.0008","90","","112.933","0.005","90","","5282.5","0.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 Br Co N3 O7 S -","- C24 H26 Br Co N3 O7 S -","- C192 H208 Br8 Co8 N24 O56 S8 -","8","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0613","0.0428","","","0.0998","0.1103","","","","","","1.012","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552750","15.516","0.008","13.3471","0.0007","11.7999","0.0009","90","","100.625","0.019","90","","2401.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br Cu N3 O6 S -","- C23 H22 Br Cu N3 O6 S -","- C92 H88 Br4 Cu4 N12 O24 S4 -","4","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.1061","0.0647","","","0.1543","0.182","","","","","","1.032","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552754","8.064","0.003","11.97","0.004","7.036","0.003","90","","90","","90","","679.2","0.4","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Al B3 Cs F O6 -","- Al B3 Cs F O6 -","- Al4 B12 Cs4 F4 O24 -","4","1","","Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability","Chemical Science","2020","11","3","694","698","10.1039/C9SC04862F","","","0.71073","MoKα","","0.0502","0.0283","","","0.0567","0.0643","","","","","","1.022","","","","has coordinates","257428","2020-10-21","18:00:00",""
"1552766","34.841","0.003","34.841","0.003","5.566","0.0006","90","","90","","120","","5851.3","1","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C28 H22 N3 P -","- C28 H22 N3 P -","- C252 H198 N27 P9 -","9","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0668","0.0489","","","0.1154","0.1267","","","","","","1.054","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552767","9.0625","0.0007","10.9721","0.0008","18.2236","0.0013","90","","90","","90","","1812.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O P -","- C19 H18 N3 O P -","- C76 H72 N12 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0596","0.0485","","","0.1274","0.1359","","","","","","1.045","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552768","8.3114","0.0002","10.1411","0.0002","10.8128","0.0002","90","","107.963","0.002","90","","866.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 O3 P -","- C19 H23 O3 P -","- C38 H46 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0357","0.0356","","","0.0875","0.0876","","","","","","1.07","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552769","6.0745","0.0001","19.8094","0.0002","9.9683","0.0001","90","","98.06","0.001","90","","1187.66","0.03","100","0.11","100","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2 P S -","- C24 H32 N O2 P S -","- C48 H64 N2 O4 P2 S2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0745","0.0753","","","","","","1.044","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552770","8.6866","0.0003","10.7017","0.0004","11.1556","0.0003","72.428","0.003","86.595","0.003","70.591","0.003","931.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Au Cl3 P -","- C16 H18 Au Cl3 P -","- C32 H36 Au2 Cl6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0604","0.057","","","0.1508","0.1531","","","","","","1.081","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552771","14.421","0.002","7.7894","0.0013","16.028","0.003","90","","114.539","0.004","90","","1637.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cl N3 O3 P -","- C36 H33 Cl N3 O3 P -","- C72 H66 Cl2 N6 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.1285","0.0879","","","0.1703","0.192","","","","","","1.095","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552772","7.6851","0.0003","12.5057","0.0005","13.9472","0.0005","90","","90","","90","","1340.43","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O P -","- C15 H13 O P -","- C60 H52 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0338","0.0317","","","0.0897","0.0925","","","","","","1.003","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552854","7.427","0.002","7.782","0.003","13.74","0.005","89.382","0.01","89.146","0.01","68.679","0.01","739.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","1-(1,1,2,2,8,8,8,8,8-Nonafluoro-8λ8-octa-3,5,7-triyn-1-yl)naphthalene","","- C18 H7 F9 -","- C18 H7 F9 -","- C36 H14 F18 -","2","1","","Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo","Controllable double CF2-insertion into sp2 C‒Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures","Chemical Science","2020","11","1","276","280","10.1039/C9SC05018C","","","0.71073","MoKα","","0.1222","0.0956","","","0.2657","0.3183","","","","","","1.231","","","","has coordinates","257300","2020-10-21","18:00:00",""
"1552855","14.4384","","16.0496","","20.713","","90","","96.573","","90","","4768.29","","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H32 N2 O3 S Si -","- C24 H32 N2 O3 S Si -","- C192 H256 N16 O24 S8 Si8 -","8","1","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.0502","0.0363","","","0.0944","0.0987","","","","","","1.085","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552856","17.4067","0.001","10.6112","0.001","22.164","0.002","90","","98.333","0.007","90","","4050.6","0.6","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H36 N4 O12 Rh2 S2 -","- C38 H36 N4 O12 Rh2 S2 -","- C152 H144 N16 O48 Rh8 S8 -","4","0.5","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.1132","0.0897","","","0.2399","0.2618","","","","","","1.041","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552858","10.8204","0.0012","35.106","0.004","8.2849","0.0009","90","","110.005","0.001","90","","2957.2","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl6 N4 O10 -","- C66 H54 Cl6 N4 O10 -","- C132 H108 Cl12 N8 O20 -","2","0.5","","Dai, Heshuang; Shichibu, Yukatsu; Imai, Yoshitane; Hara, Nobuyuki; Konishi, Katsuaki; Wang, Yue; Song, Zhiyi; Nakano, Tamaki","Synthesis and stereochemistry of helical polyurethanes based on 2,2′-dihydroxy-1,1′-binaphthyl and diisocyanatobenzenes","Polymer Chemistry","2020","11","6","1134","1144","10.1039/C9PY01348B","","","0.71073","MoKα","","0.0773","0.05","","","0.1352","0.1565","","","","","","1.011","","","","has coordinates,has disorder","257940","2020-10-21","18:00:00",""
"1552876","10.7063","0.0002","13.5187","0.0003","13.5554","0.0002","71.713","0.002","76.289","0.002","70.466","0.002","1736.4","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H45 Au N4 O4 S -","- C39 H45 Au N4 O4 S -","- C78 H90 Au2 N8 O8 S2 -","2","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0309","0.027","","","0.058","0.0597","","","","","","0.975","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552877","10.4512","0.0001","18.0543","0.0002","38.7653","0.0005","90","","90","","90","","7314.59","0.14","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 Au Cl2 N3 -","- C41 H52 Au Cl2 N3 -","- C328 H416 Au8 Cl16 N24 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0302","0.0266","","","0.0829","0.0851","","","","","","1.065","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552878","12.6173","0.001","13.9286","0.0006","19.607","0.0009","90","","108.245","0.007","90","","3272.5","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Au N2 S -","- C39 H47 Au N2 S -","- C156 H188 Au4 N8 S4 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0218","0.0182","","","0.0472","0.0489","","","","","","1.046","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552879","12.6669","0.0004","17.4884","0.0005","17.3107","0.0005","90","","108.451","0.003","90","","3637.6","0.2","140","0.6","140","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Au N2 -","- C45 H51 Au N2 -","- C180 H204 Au4 N8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0314","0.0229","","","0.0529","0.0567","","","","","","1.027","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552880","10.0502","0.0002","17.6546","0.0003","39.3833","0.0006","90","","90","","90","","6987.9","0.2","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H49 Au Cl2 N2 O -","- C40 H49 Au Cl2 N2 O -","- C320 H392 Au8 Cl16 N16 O8 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0706","0.0652","","","0.1031","0.1048","","","","","","1.461","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552881","21.965","0.0005","16.1816","0.0003","20.6249","0.0007","90","","99.929","0.003","90","","7220.9","0.3","139.9","0.6","139.9","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C316 H384 Au8 Cl8 N16 O16 S8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0718","0.0545","","","0.1636","0.173","","","","","","1.325","","","","has coordinates,has disorder","250226","2020-10-21","18:00:00",""
"1552882","34.2921","0.0008","13.9716","0.0003","17.0268","0.0004","90","","90","","90","","8157.8","0.3","140.1","1","140.1","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H53 Au N2 -","- C42 H53 Au N2 -","- C336 H424 Au8 N16 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.057","0.0353","","","0.0799","0.0874","","","","","","1.09","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552883","9.5034","0.0017","10.6505","0.0019","21.889","0.004","96.945","0.003","102.069","0.003","99.44","0.003","2109.4","0.7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","2","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","0.71073","MoKα","","0.0389","0.0361","","","0.0932","0.0959","","","","","","1.033","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552884","17.3724","0.0008","5.5677","0.0003","18.8919","0.0012","90","","111.661","0.0019","90","","1698.27","0.16","90","2","90","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0308","0.0301","","","0.0792","0.08","","","","","","1.04","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552885","9.0262","0.0004","10.7097","0.0004","14.6781","0.0006","90","","90","","90","","1418.9","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0263","0.0262","","","0.0696","0.0697","","","","","","1.065","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552886","5.5431","0.0002","17.2727","0.0006","17.7127","0.0006","90","","90","","90","","1695.89","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0258","0.025","","","0.0645","0.0651","","","","","","1.043","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552917","18.2211","0.001","18.9776","0.001","11.15","0.0006","90","","90","","90","","3855.6","0.4","200","1","200","1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C136 H124 Au4 Cl16 F12 N16 O12 S12 -","4","1","","Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi","Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes.","Metallomics : integrated biometal science","2020","12","1","104","113","10.1039/c9mt00232d","","","0.71073","MoKα","","0.0401","0.0274","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","247764","2020-10-21","18:00:00",""
"1552926","14.9009","0.0007","15.5043","0.0004","18.1199","0.0005","99.309","0.002","101.541","0.003","108.366","0.003","3777.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 N4 O2 S4 -","- C94 H82 N4 O2 S4 -","- C188 H164 N8 O4 S8 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.1126","0.0718","","","0.177","0.208","","","","","","1.002","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552927","7.7145","0.0001","10.865","0.0002","12.5062","0.0003","110.002","0.002","96.063","0.002","104.29","0.002","933.52","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0294","0.0292","","","0.076","0.0761","","","","","","1.047","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552928","8.6679","0.0004","12.5073","0.0007","13.5784","0.0006","72.096","0.004","75.545","0.004","88.839","0.004","1353.88","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","1","0.5","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.064","0.0545","","","0.1441","0.1508","","","","","","1.056","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552929","15.2836","0.0002","20.0101","0.0005","29.3242","0.0006","90","","89.997","0.002","90","","8968.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H109 N4 O8 S4 -","- C104 H109 N4 O8 S4 -","- C416 H436 N16 O32 S16 -","4","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.1639","0.0998","","","0.2395","0.2842","","","","","","1.044","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552930","8.6526","0.0003","16.4878","0.0008","18.0435","0.0008","114.697","0.005","103.822","0.004","90.89","0.004","2251.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H98 Cl6 N4 O6 S4 -","- C100 H98 Cl6 N4 O6 S4 -","- C100 H98 Cl6 N4 O6 S4 -","1","0.5","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0852","0.0753","","","0.2089","0.2158","","","","","","1.071","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552931","21.1745","0.0009","35.242","0.002","14.1841","0.0009","90","","100.409","0.004","90","","10410.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 Cl3 N2 O2 S2 -","- C58 H60 Cl3 N2 O2 S2 -","- C464 H480 Cl24 N16 O16 S16 -","8","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.2955","0.1903","","","0.4321","0.4994","","","","","","1.47","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552932","8.429","0.0002","9.714","0.0003","11.076","0.0003","82.096","0.002","69.206","0.002","76.828","0.002","823.92","0.04","120","2","120","2","","","","","","","Merck","3","P -1","-P 1","2","","","","- C20 H18 S2 -","- C20 H18 S2 -","- C40 H36 S4 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","","0.71073","MoKα","","0.0668","0.0466","","","0.1041","0.1155","","","","","","1.055","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552933","4.8299","0.0002","24.008","0.0005","17.9904","0.0003","90","","91.295","0.002","90","","2085.57","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O S -","- C27 H22 N2 O S -","- C108 H88 N8 O4 S4 -","4","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0611","0.0531","","","0.1424","0.1478","","","","","","1.081","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552934","8.7454","0.0013","18.872","0.002","25.2647","0.0018","87.77","0.008","88.724","0.009","78.001","0.012","4075.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H83 Cl3 N4 O2 S4 -","- C95 H83 Cl3 N4 O2 S4 -","- C190 H166 Cl6 N8 O4 S8 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.3079","0.1768","","","0.4418","0.5171","","","","","","1.45","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552936","21.2554","0.0003","5.93942","0.0001","17.7277","0.0003","90","","90.6651","0.0012","90","","2237.88","0.06","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H58 N8 O13 -","- C44 H58 N8 O13 -","- C88 H116 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","1.54184","CuKα","","0.0431","0.0422","","","0.1168","0.1174","","","","","","1.154","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552937","21.2","0.004","5.9359","0.0009","17.737","0.003","90","","90.692","0.005","90","","2231.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H57 N8 O13 -","- C44 H57 N8 O13 -","- C88 H114 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","0.71073","MoKα","","0.095","0.0519","","","0.0854","0.0972","","","","","","0.983","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552946","10.936","0.004","9.071","0.003","12.562","0.005","90","","94.63","0.005","90","","1242.1","0.8","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","compound 21","compound 21","","- C23 H31 N O7 Si -","- C23 H31 N O7 Si -","- C46 H62 N2 O14 Si2 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","0.71073","MoKα","","0.0598","0.0575","","","0.143","0.1458","","","","","","1.049","","","","has coordinates","257421","2020-10-21","18:00:00",""
"1552947","8.7818","0.0005","21.1435","0.0013","10.5555","0.0007","90","","92.327","0.002","90","","1958.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","PMA-27","PMA-27","","- C45 H47 N4 O9 -","- C45 H47 N4 O9 -","- C90 H94 N8 O18 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","1.54178","CuKα","","0.1039","0.063","","","0.1146","0.1305","","","","","","1.032","","","","has coordinates,has disorder","257421","2020-10-21","18:00:00",""
"1552948","7.355","0.0004","12.9923","0.0007","24.5807","0.0014","90","","90","","90","","2348.9","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 Br2 N2 O6 -","- C26 H12 Br2 N2 O6 -","- C104 H48 Br8 N8 O24 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","0.71073","MoKα","","0.0655","0.0405","","","0.0841","0.0942","","","","","","1.027","","","","has coordinates","250228","2020-10-21","18:00:00",""
"1552949","15.0405","0.0002","8.4792","0.0001","13.8431","0.0001","90","","106.602","0.001","90","","1691.83","0.03","295","","295","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C16.05 H12.45 N O5 -","- C16.05 H12.45 N O5 -","- C64.2 H49.8 N4 O20 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","1.54184","CuKα","","0.0698","0.0695","","","0.1996","0.2005","","","","","","1.16","","","","has coordinates,has disorder","250228","2020-10-21","18:00:00",""
"1552950","15.2114","0.0017","15.0318","0.0019","22.042","0.002","90","","93.831","0.004","90","","5028.7","1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C66 H50 N2 O4 -","- C66 H50 N2 O4 -","- C264 H200 N8 O16 -","4","2","","Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne","Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems.","Chemical science","2020","11","2","567","576","10.1039/c9sc05231c","","x-ray","0.71073","MoKα","","0.1354","0.0984","","","0.2509","0.278","","","","","","1.018","","","","has coordinates","250223","2020-10-21","18:00:00",""
"1552951","14.2115","0.0005","13.2334","0.0004","26.4184","0.0007","90","","116.384","0.003","90","","4450.9","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H19 N O S2 -","- C78 H19 N O S2 -","- C312 H76 N4 O4 S8 -","4","1","","Liu, Kai-Qing; Wang, Jun-Jie; Yan, Xing-Xing; Niu, Chuang; Wang, Guan-Wu","Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns.","Chemical science","2020","11","2","384","388","10.1039/c9sc02131k","","","1.54184","CuKα","","0.1222","0.0789","","","0.1994","0.2308","","","","","","1.071","","","","has coordinates,has disorder","250227","2020-10-21","18:00:00",""
"1552952","11.6895","0.001","23.58","0.002","7.2918","0.0007","90","","94.989","0.003","90","","2002.3","0.3","119","2","119","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl2 N3 O5 -","- C18 H23 Cl2 N3 O5 -","- C72 H92 Cl8 N12 O20 -","4","1","","Rajak, Aritra; Karan, Chandan Kumar; Theato, Patrick; Das, Anindita","Supramolecularly cross-linked amphiphilic block copolymer assembly by the dipolar interaction of a merocyanine dye","Polymer Chemistry","2020","11","3","695","703","10.1039/C9PY01492F","","","0.71073","MoKα","","0.0878","0.0684","","","0.1677","0.1884","","","","","","1.04","","","","has coordinates","257955","2020-10-21","18:00:00",""
"1556080","11.2529","0.0005","12.5689","0.0005","14.178","0.0006","90","","101.369","0.001","90","","1965.94","0.14","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C70 H76 Cl4 F12 Fe2 N8 O12 S4 -","2","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0218","0.0211","","","0.0528","0.0532","","","","","","1.041","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556081","11.265","0.0005","16.5488","0.0007","23.0009","0.001","90","","90","","90","","4287.9","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C152 H176 Cl16 F24 Fe4 N16 O24 S8 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0613","0.0561","","","0.1523","0.1567","","","","","","1.051","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556082","21.5973","0.0008","5.0981","0.0002","17.5377","0.0007","90","","91.771","0.001","90","","1930.07","0.13","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C96 H104 N12 O4 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0302","0.0302","","","0.0798","0.0799","","","","","","1.048","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556083","8.63","0.005","15.205","0.007","12.2","0.009","90","","105.42","0.04","90","","1543.2","1.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","2","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0342","0.0342","","","0.0902","0.0903","","","","","","1.05","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556084","5.761","","15.9645","0.0001","20.7087","0.0002","90","","90","","90","","1904.61","0.02","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C88 H68 N4 O24 S4 -","4","1","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.029","0.0282","","","0.0784","0.0791","","","","","","1.037","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556085","6.6807","0.0002","19.9408","0.0007","14.2683","0.0004","90","","90","","90","","1900.8","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","0.5","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.0521","0.0489","","","0.1293","0.1328","","","","","","1.074","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556261","9.5947","0.0011","4.8799","0.0006","13.6316","0.0016","90","","94.414","0.002","90","","636.35","0.13","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 F6 N S -","- C13 H7 F6 N S -","- C26 H14 F12 N2 S2 -","2","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0759","0.079","","","","","","1.041","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556262","8.6198","0.0003","7.7249","0.0003","29.3919","0.0011","90","","91.201","0.001","90","","1956.69","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F4 N2 S -","- C24 H14 F4 N2 S -","- C96 H56 F16 N8 S4 -","4","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0581","0.0408","","","0.1","0.1097","","","","","","1.013","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556263","11.2568","0.0012","5.8241","0.0007","12.8702","0.0017","90","","112.433","0.004","90","","779.93","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O2 S2 -","- C20 H12 N2 O2 S2 -","- C40 H24 N4 O4 S4 -","2","0.5","","Li, Tao; Yan, Xiaodong; Liu, Yong; Zhang, Wen-Da; Fu, Qiu-Ting; Zhu, Haiyan; Li, Zaijun; Gu, Zhi-Guo","A 2D covalent organic framework involving strong intramolecular hydrogen bonds for advanced supercapacitors","Polymer Chemistry","2020","11","1","47","52","10.1039/C9PY01623F","","","0.71073","MoKα","","0.0709","0.0413","","","0.0697","0.0774","","","","","","1.053","","","","has coordinates","257935","2020-10-21","18:00:00",""
"1556265","13.4362","0.0006","18.3994","0.0008","20.2998","0.0008","106.666","0.001","108.577","0.001","103.771","0.001","4246.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C152 H188 Cl12 F12 N12 O20 Pt4 S4 -","2","1","","Leung, Sam Ka-Ming; Chan, Alan Kwun-Wa; Leung, Sammual Yu-Lut; Leung, Ming-Yi; Yam, Vivian Wing-Wah","Supramolecular assembly of bent dinuclear amphiphilic alkynylplatinum(ii) terpyridine complexes: diverse nanostructures through subtle tuning of the mode of molecular stacking.","Chemical science","2020","11","2","499","507","10.1039/c9sc04475b","","","0.71073","MoKα","","0.0995","0.0573","","","0.1129","0.1325","","","","","","1.069","","","","has coordinates,has disorder","250225","2020-10-21","18:00:00",""
"1556406","16.615","0.004","27.205","0.005","13.426","0.003","90","","112.678","0.004","90","","5600","2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CT-1?DMF","(HHTP)(HAT-CN)(6DMF)","","- C54 H54 N18 O12 -","- C54 H54 N18 O12 -","- C216 H216 N72 O48 -","4","1","","Nakashima, Kensuke; Shimizu, Takeshi; Kamakura, Yoshinobu; Hinokimoto, Akira; Kitagawa, Yasutaka; Yoshikawa, Hirofumi; Tanaka, Daisuke","A new design strategy for redox-active molecular assemblies with crystalline porous structures for lithium-ion batteries.","Chemical science","2020","11","1","37","43","10.1039/c9sc04175c","","","0.71075","MoKα","","0.101","0.0619","","","0.1618","0.1931","","","","","","0.995","","","","has coordinates,has disorder","250218","2020-10-21","18:00:00",""
"1556409","10.6925","0.0003","19.6374","0.0005","17.0321","0.0005","90","","101.118","0.003","90","","3509.16","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[{(Mes)N}(OCP)C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C37 H47 B N3 O P -","- C37 H47 B N3 O P -","- C148 H188 B4 N12 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0666","0.0567","","","0.1564","0.1675","","","","","","1.071","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556410","10.6744","0.0003","13.4621","0.0004","14.8146","0.0004","82.534","0.002","88.654","0.002","84.679","0.002","2101.57","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[{(Mes)N}{(Mes)NCP}C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C46 H58 B N4 P -","- C46 H58 B N4 P -","- C92 H116 B2 N8 P2 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.044","0.0363","","","0.0914","0.0969","","","","","","1.041","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556411","17.2385","0.0002","10.9928","0.0001","33.0859","0.0004","90","","96.506","0.001","90","","6229.38","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{(tBu)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C31 H45 B N3 P -","- C31 H45 B N3 P -","- C248 H360 B8 N24 P8 -","8","2","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0756","0.0641","","","0.1842","0.1946","","","","","","1.11","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556412","13.0269","0.0002","14.1779","0.0001","14.8915","0.0002","90","","112.746","0.001","90","","2536.47","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(PB[{N(2,6-iPr-C6H3)}2(CH)2])2","","- C52 H72 B2 N4 P2 -","- C52 H72 B2 N4 P2 -","- C104 H144 B4 N8 P4 -","2","0.5","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0433","0.037","","","0.0967","0.1016","","","","","","1.037","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556413","18.9679","0.0003","7.4054","0.0001","25.1568","0.0003","90","","107.29","0.001","90","","3373.97","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{(Mes)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C36 H47 B N3 P -","- C36 H47 B N3 P -","- C144 H188 B4 N12 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0537","0.0471","","","0.1227","0.1283","","","","","","1.048","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556414","14.0563","0.0004","14.7947","0.0004","20.1864","0.0005","73.781","0.002","76.257","0.002","67.558","0.002","3684.82","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[(Me2IPr)C(O)CPB[{N(2,6-iPr-C6H3)}2(CH)2]PoB[{N(2,6-iPr-C6H3)}2(CH)2]*1.5hex","","- C74 H113 B2 N6 O2 P2 -","- C74 H113 B2 N6 O2 P2 -","- C148 H226 B4 N12 O4 P4 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.064","0.0523","","","0.1399","0.1508","","","","","","1.043","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556415","9.3904","0.0001","14.2038","0.0001","20.3914","0.0002","90","","99.177","0.001","90","","2684.98","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(OCP)B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C27 H36 B N2 O P -","- C27 H36 B N2 O P -","- C108 H144 B4 N8 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0459","0.04","","","0.1051","0.1106","","","","","","1.017","","","","has coordinates,has disorder","257423","2020-10-21","18:00:00",""
"1556534","11.2525","0.0002","9.2194","0.00013","59.1397","0.0009","90","","93.8053","0.0014","90","","6121.7","0.17","100.03","0.11","100.03","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TPE-Py","TPE-EP-G","","- C34.5 H29 Cl F6 N P -","- C34.5 H29 Cl F6 N P -","- C276 H232 Cl8 F48 N8 P8 -","8","2","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0744","0.0623","","","0.1501","0.1577","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556535","24.8939","0.0007","9.1783","0.0002","12.5794","0.0003","90","","98.168","0.003","90","","2845.03","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TPE-Py","TPE-EP-Y","","- C34 H28 F6 N P -","- C34 H28 F6 N P -","- C136 H112 F24 N4 P4 -","4","1","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0932","0.0869","","","0.2128","0.2163","","","","","","1.019","","","","has coordinates,has disorder","257316","2020-10-21","18:00:00",""
"1556536","6.345","0.0002","14.5492","0.0005","16.7909","0.0007","90","","90","","90","","1550.05","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N2 O5 Re -","- C15 H13 N2 O5 Re -","- C60 H52 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0517","0.0239","","","0.0424","0.0501","","","","","","1","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556537","9.1929","0.0005","13.3161","0.0007","11.3352","0.0006","90","","106.8","0.002","90","","1328.36","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O5 Re -","- C13 H9 N2 O5 Re -","- C52 H36 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0175","0.0145","","","0.0302","0.0309","","","","","","1.068","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556538","8.5304","0.0005","8.156","0.0005","22.7941","0.0015","90","","96.365","0.002","90","","1576.1","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O4 Re S -","- C15 H12 N O4 Re S -","- C60 H48 N4 O16 Re4 S4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0285","0.0207","","","0.0355","0.0372","","","","","","1.051","","","","has coordinates","257305","2020-10-21","18:00:00",""
"1556539","20.753","0.002","7.0352","0.0008","13.7941","0.0018","90","","105.388","0.007","90","","1941.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H15 Cl N O5 Re -","- C20.5 H15 Cl N O5 Re -","- C82 H60 Cl4 N4 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0535","0.0376","","","0.0759","0.0815","","","","","","1.049","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556540","9.108","0.0005","9.5099","0.0005","9.7673","0.0005","70.669","0.002","80.012","0.002","61.781","0.002","703.28","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O6 Re -","- C13 H11 N2 O6 Re -","- C26 H22 N4 O12 Re2 -","2","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0233","0.02","","","0.0378","0.0387","","","","","","1.047","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556541","57.47","0.005","33.556","0.003","39.361","0.007","90","","122.967","0.001","90","","63684","14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C173 H189 Ag28 Mo4 O21 P12 -","- C173 H189 Ag28 Mo4 O21 P12 -","- C1384 H1512 Ag224 Mo32 O168 P96 -","8","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.71073","MoKα","","0.1798","0.1177","","","0.3143","0.3572","","","","","","1.007","","","","has coordinates","247766","2020-10-21","18:00:00",""
"1556542","41.161","0.003","24.6172","0.0013","40.061","0.002","90","","103.141","0.002","90","","39530","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C1348 H1356 Ag128 Mo16 N12 O104 P96 -","4","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.6525","synchrotron","","0.0819","0.0674","","","0.1802","0.1938","","","","","","1.029","","","","has coordinates,has disorder","247766","2020-10-21","18:00:00",""
"1556543","57.246","0.003","33.4588","0.0016","38.553","0.004","90","","120.882","0.001","90","","63375","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H170 Ag28 O17 P12 W4 -","- C168 H170 Ag28 O17 P12 W4 -","- C1344 H1360 Ag224 O136 P96 W32 -","8","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.6525","synchrotron","","0.1762","0.1214","","","0.3161","0.3674","","","","","","1.074","","","","has coordinates","247766","2020-10-21","18:00:00",""
"1556544","7.56183","0.00016","6.59134","0.00014","7.23629","0.00014","90","","90","","90","","360.675","0.013","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","?Propionitrile?","- C3 H5 N -","- C3 H5 N -","- C12 H20 N4 -","4","0.5","","Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney","Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction","Journal of Synchrotron Radiation","2020","27","1","212","216","10.1107/S1600577519015911","powder diffraction","x-ray","0.99998","synchrotron","","0.0151","","","","","","","","2.658","","","","","","","has coordinates","247892","2020-10-21","18:00:00",""
"1556576","16.5526","0.0007","32.2692","0.0011","32.7633","0.0011","103.703","0.002","102.725","0.002","100.939","0.002","16034.9","1.1","190","1","190","1","","","","","","","","4","P -1","-P 1","2","","Cluster-1","","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","1","0.5","","Shi, Dongliang; Yang, Xiaoping; Xiao, Zhiyin; Liu, Xiaoming; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","A 42-metal Yb(iii) nanowheel with NIR luminescent response to anions.","Nanoscale","2020","12","3","1384","1388","10.1039/c9nr09151c","","","0.71073","MoKα","","0.1649","0.0824","","","0.1869","0.2143","","","","","","0.83","","","","has coordinates","247767","2020-10-21","18:00:00",""
"1556577","5.223","0.001","12.435","0.003","5.563","0.0011","90","","111.14","0.03","90","","336.99","0.14","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.2468","0.2188","","","0.4858","0.5176","","","","","","1.058","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556578","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","beta-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.1379","0.1276","","","0.2894","0.2964","","","","","","1.18","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556579","7.395","0.001","7.395","0.001","5.75","0.0012","90","","90","","120","","272.32","0.08","103","2","103","2","","","","","","","","4","P 31","P 31","144","gamma-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.4088","0.3064","","","0.6299","0.7029","","","","","","1.013","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556599","13.2313","0.0009","30.795","0.002","18.556","0.0012","90","","94.183","0.002","90","","7540.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C350 H328 Ag8 Fe4 O30 P16 -","4","2","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0392","0.0316","","","0.0638","0.0672","","","","","","1.089","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556600","24.582","0.003","20.281","0.002","40.461","0.005","90","","90","","90","","20172","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C980 H868 Cu16 Fe8 O56 P48 -","8","1","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0809","0.053","","","0.1197","0.1398","","","","","","1.063","","","","has coordinates,has disorder","257224","2020-10-21","18:00:00",""
"1556629","13.5004","0.0007","5.6062","0.0002","15.1666","0.0008","90","","104.738","0.0015","90","","1110.13","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-fluoro-1,3-dimethyl-9H-fluorene","","- C15 H13 F -","- C15 H13 F -","- C60 H52 F4 -","4","1","","Fu, Wai Chung; Kwong, Fuk Yee","A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes","Chemical Science","2020","11","5","1411","1417","10.1039/C9SC04062E","","","0.71073","MoKα","","0.0605","0.0451","","","0.1128","0.1245","","","","","","1.034","","","","has coordinates","257304","2020-10-21","18:00:00",""
"1556630","11.9227","0.0003","17.3502","0.0004","17.7857","0.0004","90","","90.611","0.001","90","","3678.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br N5 O5 -","- C40 H50 Br N5 O5 -","- C160 H200 Br4 N20 O20 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","","1.54178","CuKα","","0.0897","0.0814","","","0.2343","0.2467","","","","","","1.027","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556631","10.8554","0.0002","18.2505","0.0002","12.2873","0.0002","90","","105.01","0.001","90","","2351.26","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl N2 O -","- C29 H27 Cl N2 O -","- C116 H108 Cl4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0555","0.0474","","","0.129","0.1396","","","","","","1.044","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556632","10.2078","0.0003","19.152","0.0005","18.9514","0.0004","90","","94.804","0.002","90","","3691.98","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Br N3 O -","- C46 H42 Br N3 O -","- C184 H168 Br4 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.087","0.0701","","","0.1909","0.2129","","","","","","1.044","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556633","9.0448","0.0004","14.0503","0.0006","18.8685","0.0006","90","","102.053","0.004","90","","2344.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0727","0.0527","","","0.1432","0.1669","","","","","","1.032","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556634","14.485","0.0005","10.8239","0.0005","16.4134","0.0007","90","","90.869","0.003","90","","2573.07","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Br N2 O -","- C31 H31 Br N2 O -","- C124 H124 Br4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0603","0.0444","","","0.1123","0.1261","","","","","","1.015","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556635","11.80408","0.00014","18.74504","0.00018","31.2581","0.0004","90","","79.1361","0.0011","90","","6792.46","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N5 O5 -","- C39 H39 N5 O5 -","- C312 H312 N40 O40 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0596","0.0516","","","0.14","0.1465","","","","","","1.038","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556636","13.58053","0.00011","20.7753","0.0002","29.2921","0.0003","90","","102.897","0.0009","90","","8055.96","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl2 N3 O -","- C45 H39 Cl2 N3 O -","- C360 H312 Cl16 N24 O8 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.1448","0.1225","","","0.3481","0.378","","","","","","1.431","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556642","10.6022","0.0005","10.6218","0.0005","20.1023","0.001","94.418","0.002","99.288","0.002","100.371","0.002","2184.47","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H67 B2 P3 -","- C50 H67 B2 P3 -","- C100 H134 B4 P6 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0385","0.0349","","","0.0842","0.0866","","","","","","1.058","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556643","10.5062","0.0008","17.5469","0.0013","36.649","0.003","90","","90","","90","","6756.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C272 H384 B16 Br8 P24 -","8","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0353","0.0294","","","0.0698","0.0727","","","","","","1.057","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556644","11.8091","0.0005","16.5734","0.0007","17.4767","0.0008","90","","107.828","0.002","90","","3256.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C136 H192 B8 Br4 P12 -","4","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0572","0.0391","","","0.1118","0.1289","","","","","","0.9","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556645","28.3736","0.0016","57.198","0.003","10.0055","0.0005","90","","90","","90","","16238.1","1.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H55 B2 Br N2 P2 -","- C40 H55 B2 Br N2 P2 -","- C640 H880 B32 Br16 N32 P32 -","16","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0483","0.0368","","","0.0701","0.0752","","","","","","0.974","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556646","11.3635","0.0004","13.09","0.0005","19.2394","0.0006","89.968","0.001","76.353","0.001","70.181","0.001","2606.41","0.16","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H71 B2 N4 P -","- C58 H71 B2 N4 P -","- C116 H142 B4 N8 P2 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.066","0.0521","","","0.1174","0.127","","","","","","1.031","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556647","16.8585","0.0005","9.6751","0.0003","15.4623","0.0005","90","","111.832","0.001","90","","2341.14","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B F10 N -","- C26 H18 B F10 N -","- C104 H72 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0547","0.045","","","0.0975","0.1024","","","","","","1.099","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556648","8.3209","0.0003","11.319","0.0005","19.7803","0.0008","99.399","0.001","98.04","0.001","104.051","0.001","1751.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B F10 P -","- C44 H30 B F10 P -","- C88 H60 B2 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","0.71073","MoKα","","0.0677","0.0536","","","0.105","0.1107","","","","","","1.106","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556649","9.724","0.0003","14.9525","0.0004","16.4897","0.0005","90","","90","","90","","2397.57","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F10 N -","- C27 H20 B F10 N -","- C108 H80 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0578","0.0457","","","0.0892","0.0946","","","","","","1.06","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556650","11.605","0.0003","20.1373","0.0004","17.8823","0.0004","90","","102.818","0.002","90","","4074.83","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C184 H152 B4 Cl8 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0694","0.051","","","0.1341","0.1472","","","","","","1.026","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556651","11.1982","0.0012","11.5411","0.0013","16.5533","0.0016","96.789","0.006","96.943","0.007","106.576","0.007","2009","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C92 H76 B2 Cl4 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.097","0.0599","","","0.1448","0.1685","","","","","","1.09","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556652","12.2953","0.0003","14.3056","0.0003","20.8746","0.0005","90","","100.3","0.001","90","","3612.5","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 B F10 P -","- C39 H28 B F10 P -","- C156 H112 B4 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0414","0.0359","","","0.0876","0.0909","","","","","","1.022","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556653","6.4255","0.0004","17.461","0.001","21.2763","0.0013","90","","95.037","0.004","90","","2377.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F10 -","- C27 H21 B F10 -","- C108 H84 B4 F40 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0544","0.0402","","","0.0943","0.1007","","","","","","1.056","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556654","12.4783","0.0005","15.7635","0.0006","20.7617","0.0007","102.312","0.002","93.184","0.002","112.263","0.002","3650.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 B F10 P -","- C40 H30 B F10 P -","- C160 H120 B4 F40 P4 -","4","2","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0697","0.0475","","","0.1127","0.1227","","","","","","1.035","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556655","9.0564","0.001","10.3497","0.0009","21.915","0.002","91.873","0.006","96.63","0.007","96.996","0.006","2022.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H24 B2 F20 N2 -","- C43 H24 B2 F20 N2 -","- C86 H48 B4 F40 N4 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.114","0.0597","","","0.14","0.1703","","","","","","1.021","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556673","19.7106","0.0002","9.9489","0.0001","22.7748","0.0002","90","","99.808","0.001","90","","4400.83","0.07","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(DPFN)Cu2(MeCP)](NTf2)2","","","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C144 H92 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","1.39222","CuKβ","","0.0369","0.0327","","","0.1036","0.113","","","","","","0.618","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556674","12.5211","0.0004","14.8116","0.0005","15.6245","0.0005","76.518","0.002","67.701","0.002","76.651","0.002","2574.23","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","mszxr090","","","- C42 H34 Cu2 F14 N8 O9 S4 -","- C42 H34 Cu2 F14 N8 O9 S4 -","- C84 H68 Cu4 F28 N16 O18 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.71073","MoKα","","0.0443","0.0346","","","0.0766","0.0818","","","","","","1.057","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556675","12.4499","0.0007","12.637","0.0006","18.5946","0.0009","89.354","0.002","84.84","0.002","72.243","0.002","2774.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(DPFN)Cu2tBuCP](NTf2)2","","","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C86 H78 Cu4 F28 N16 O18 P2 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.1446","0.1273","","","0.395","0.4173","","","","","","1.888","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556676","10.918","0.0004","20.4455","0.0007","23.1939","0.0008","90","","90","","90","","5177.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(DPFN)Cu2AdCN](NTf2)2","","","- C45 H35 Cu2 F14 N9 O8 S4 -","- C45 H35 Cu2 F14 N9 O8 S4 -","- C180 H140 Cu8 F56 N36 O32 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0538","0.0503","","","0.1329","0.1374","","","","","","1.058","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556677","18.6915","0.0008","16.5896","0.0007","18.8035","0.0009","90","","96.346","0.002","90","","5794.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[(DPFN)Cu2PCAd](NTf2)2","","","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C180 H140 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0853","0.0748","","","0.2019","0.2109","","","","","","1.028","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556703","22.2613","0.001","26.916","0.0012","28.2117","0.001","83.387","0.003","73.393","0.003","69.33","0.004","15154.3","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65.25 N4 O8 S2 -","- C65.25 N4 O8 S2 -","- C522 N32 O64 S16 -","8","4","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","","1.54184","CuKα","","0.2897","0.2079","","","0.456","0.4898","","","","","","1.216","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556704","22.0328","0.001","21.2168","0.0007","33.589","0.003","90","","102.198","0.005","90","","15347.2","1.6","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 N4 O8 S3 -","- C37 N4 O8 S3 -","- C148 N16 O32 S12 -","4","2","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","x-ray","1.54184","CuKα","","0.2265","0.1541","","","0.3571","0.407","","","","","","1.025","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556719","7.2702","0.0008","8.7819","0.0009","13.6782","0.0008","98.564","0.007","100.026","0.007","104.633","0.01","814.84","0.14","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C42 H38 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0559","0.0436","","","0.1046","0.1158","","","","","","1.032","","","","has coordinates,has disorder","257308","2020-10-21","18:00:00",""
"1556720","11.42288","0.00017","8.41061","0.00012","28.0872","0.0003","90","","100.454","0.0013","90","","2653.64","0.06","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0404","0.0337","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556721","5.81156","0.00011","17.547","0.0003","18.1227","0.0003","90","","90","","90","","1848.07","0.06","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C96 H76 N4 O4 S4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0676","0.0684","","","","","","1.046","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556722","7.4225","0.00012","9.90594","0.00016","19.5109","0.0003","90","","90","","90","","1434.57","0.04","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0605","0.0619","","","","","","1.099","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556723","8.7543","0.0005","9.971","0.0006","11.6327","0.0006","81.846","0.004","74.281","0.005","81.076","0.005","960.27","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C50 H42 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0334","0.0318","","","0.0796","0.0808","","","","","","1.052","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556724","12.704","0.002","12.704","0.002","12.678","0.002","90","","90","","90","","2046.1","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","Au4Pt2(S-isopropyl)8","","- C24 Au4 Pt2 S8 -","- C24 Au4 Pt2 S8 -","- C48 Au8 Pt4 S16 -","2","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0587","0.0531","","","0.1483","0.1515","","","","","","1.138","","","","has coordinates,has disorder","258158","2020-10-21","18:00:00",""
"1556725","44.07","0.006","14.7091","0.0019","31.214","0.004","90","","98.553","0.002","90","","20009","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Au4Pt2(SCH2PhtBu)8","","- C98.5 H128 Au4 Pt2 S8 -","- C98.5 H128 Au4 Pt2 S8 -","- C788 H1024 Au32 Pt16 S64 -","8","1","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0586","0.0317","","","0.0634","0.072","","","","","","1.015","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556726","18.0367","0.0017","30.034","0.003","24.6","0.002","90","","94.589","0.001","90","","13283","2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Au4Pt2(SC2H4Ph)8 polymer","","- C67.5 H76 Au4 Pt2 S8 -","- C67.5 H76 Au4 Pt2 S8 -","- C540 H608 Au32 Pt16 S64 -","8","2","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","","0.71073","MoKα","","0.0818","0.0409","","","0.0705","0.0822","","","","","","0.994","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556727","30.11","0.007","30.11","0.007","15.878","0.005","90","","90","","90","","14395","7","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 Au4 Cl8 Pt2 S8 -","- C56 Au4 Cl8 Pt2 S8 -","- C448 Au32 Cl64 Pt16 S64 -","8","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.148","0.1038","","","0.3015","0.3552","","","","","","1.098","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556728","12.5672","0.0018","13.4332","0.0019","14.366","0.002","110.038","0.001","107.982","0.001","103.327","0.001","2007.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 Au4 Pt2 S8 -","- C80 H104 Au4 Pt2 S8 -","- C80 H104 Au4 Pt2 S8 -","1","0.5","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0263","0.0238","","","0.0625","0.0638","","","","","","1.062","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556729","35.908","0.005","27.784","0.003","33.126","0.004","90","","96.494","0.003","90","","32837","7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6 -","- Ba0.45 Ce1.0425 K0.549 Na5.6205 O76.7345 Si18.761 Ti6 -","- Ba7.2 Ce16.68 K8.784 Na89.928 O1227.75 Si300.176 Ti96 -","16","2","","Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena","Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin","IUCrJ","2020","7","1","121","128","10.1107/S2052252519016622","","","0.71073","MoKα","","0.1129","0.0807","","","0.2338","0.2638","","","","","","0.969","","","","has coordinates","247893","2020-10-21","18:00:00",""
"1556730","9.959","0.004","11.731","0.004","12.842","0.005","90","","90","","90","","1500.3","1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.1518","0.0568","","","0.1362","0.1924","","","","","","0.871","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556731","10.3797","0.0014","8.3706","0.0011","10.7275","0.0014","90","","105.568","0.003","90","","897.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O2 S -","- C21 H28 N2 O2 S -","- C42 H56 N4 O4 S2 -","2","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.0734","0.0473","","","0.0968","0.11","","","","","","1.024","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556844","9.6381","0.0005","11.485","0.0006","19.0369","0.0009","85.238","0.004","75.946","0.004","75.838","0.005","1981.44","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 B N2 O2 -","- C45 H57 B N2 O2 -","- C90 H114 B2 N4 O4 -","2","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Das, Arpan; Ahmed, Jasimuddin; P., Sreejyothi; Mandal, Swadhin K.","Transition metal-free catalytic reduction of primary amides using an abnormal NHC based potassium complex: integrating nucleophilicity with Lewis acidic activation","Chemical Science","2020","11","7","1848","1854","10.1039/C9SC05953A","","x-ray","1.54184","CuKα","","0.0626","0.0484","","","0.1208","0.1314","","","","","","1.019","","","","has coordinates","257362","2020-10-21","18:00:00",""
"1556845","21.515","0.0017","24.1156","0.0017","35.321","0.003","81.037","0.004","78.006","0.004","68.595","0.004","16625","2","170","","170","","","","","","","","","10","P -1","-P 1","2","","","","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C488 H654 Ag62 Cl10 F48 O4 P12 Pt2 S32 Sb8 -","2","1","","Kang, Xi; Jin, Shan; Xiong, Lin; Wei, Xiao; Zhou, Manman; Qin, Chenwanli; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Nanocluster growth <i>via</i> ""graft-onto"": effects on geometric structures and optical properties.","Chemical science","2020","11","6","1691","1697","10.1039/c9sc05700e","","","0.71073","MoKα","","0.1297","0.0746","","","0.1872","0.2093","","","","","","1.061","","","","has coordinates","250235","2020-10-21","18:00:00",""
"1556846","5.6044","0.0001","9.5819","0.0002","26.472","0.0005","90","","90","","90","","1421.57","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F9 O2 -","- C11 H13 F9 O2 -","- C44 H52 F36 O8 -","4","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0508","0.0493","","","0.1393","0.1416","","","","","","1.064","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556847","4.9029","0.0001","9.8824","0.0002","10.7838","0.0003","90","","100.543","0.003","90","","513.68","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 F6 O3 -","- C7 H10 F6 O3 -","- C14 H20 F12 O6 -","2","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0892","0.0897","","","","","","1.08","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556849","11.7327","0.0012","9.6358","0.0009","13.0361","0.0013","90","","90","","90","","1473.8","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H6 F6 N2 O2 -","- C16 H6 F6 N2 O2 -","- C64 H24 F24 N8 O8 -","4","0.5","","Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling","A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl","Polymer Chemistry","2020","11","4","784","788","10.1039/C9PY01610D","","","0.71073","MoKα","","0.0526","0.0425","","","0.1028","0.1105","","","","","","1.04","","","","has coordinates","257936","2020-10-21","18:00:00",""
"1556851","5.512","0.0003","27.2877","0.0014","16.0208","0.0008","90","","90","","90","","2409.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O S2 -","- C29 H31 N O S2 -","- C116 H124 N4 O4 S8 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.07","0.0399","","","0.0835","0.0896","","","","","","1.006","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556852","11.4995","0.0019","13.626","0.002","14.631","0.003","79.476","0.004","69.652","0.004","70.613","0.003","2021.8","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O S3 -","- C21 H24 N2 O S3 -","- C84 H96 N8 O4 S12 -","4","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.1852","0.1091","","","0.2266","0.2666","","","","","","1.054","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556853","25.8366","0.0002","25.8366","0.0002","25.8366","0.0002","90","","90","","90","","17246.7","0.2","173","2","173","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","EJAntraL/DCM+AgClO4/MeOH->Layer","","","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C696 H744 Ag24 Cl24 N24 O120 S48 -","4","0.166667","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKa","","0.2838","0.1332","","","0.3994","0.4934","","","","","","1.017","","","","has coordinates,has disorder","248793","2020-10-21","18:00:00",""
"1556854","27.888","0.003","14.9539","0.0016","7.2021","0.0008","90","","95.118","0.002","90","","2991.5","0.6","173","2","173","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C88 H104 Ag4 Cl8 F24 N8 O4 P4 S12 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0471","0.044","","","0.1225","0.1246","","","","","","1.063","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556855","12.902","0.003","21.339","0.004","11.771","0.002","90","","116.33","0.03","90","","2904.5","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 Hg N2 O10 S3 -","- C24 H30 Cl2 Hg N2 O10 S3 -","- C96 H120 Cl8 Hg4 N8 O40 S12 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0524","0.046","","","0.127","0.1309","","","","","","1.045","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556856","10.0374","0.0015","31.171","0.006","8.3311","0.0014","90","","90","","90","","2606.6","0.8","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C21 H24 Hg I2 N2 O S3 -","- C21 H24 Hg I2 N2 O S3 -","- C84 H96 Hg4 I8 N8 O4 S12 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0349","0.0345","","","0.1024","0.1028","","","","","","1.024","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556860","19.2423","0.0008","10.9261","0.0005","21.5899","0.001","90","","106.046","0.002","90","","4362.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl F5 N4 Ni -","- C45 H44 Cl F5 N4 Ni -","- C180 H176 Cl4 F20 N16 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0526","0.0443","","","0.1209","0.1273","","","","","","1.031","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556861","12.0799","0.0004","14.6404","0.0005","24.1769","0.001","90","","91.408","0.002","90","","4274.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 F5 N3 Ni -","- C45 H50 F5 N3 Ni -","- C180 H200 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0595","0.0392","","","0.089","0.0961","","","","","","1.032","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556862","9.5949","0.0007","11.8426","0.001","18.3253","0.0014","92.953","0.003","104.293","0.002","100.626","0.002","1972.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 F5 N3 Ni -","- C44 H45 F5 N3 Ni -","- C88 H90 F10 N6 Ni2 -","2","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","0.71073","MoKα","","0.0722","0.0517","","","0.1334","0.1477","","","","","","1.044","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556863","14.1294","0.0009","16.6197","0.0008","15.8282","0.0008","90","","90","","90","","3716.9","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H49 F5 N3 Ni -","- C45 H49 F5 N3 Ni -","- C180 H196 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.1623","0.0792","","","0.18","0.2265","","","","","","1.037","","","","has coordinates,has disorder","257307","2020-10-21","18:00:00",""
"1556864","17.7017","0.0003","15.1269","0.0002","13.141","0.0002","90","","109.571","0.002","90","","3315.5","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 F5 N3 Ni -","- C40 H39 F5 N3 Ni -","- C160 H156 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0558","0.0444","","","0.1174","0.1266","","","","","","1.036","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556865","8.2007","0.0005","7.7793","0.0005","24.6164","0.0018","90","","90","","90","","1570.42","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 I2 N2 O7 -","- C12 H8 I2 N2 O7 -","- C48 H32 I8 N8 O28 -","4","1","","Zhang, Guangtao; Wang, Yuanxun; Xu, Jun; Sun, Jiyun; Sun, Fengxia; Zhang, Yilin; Zhang, Chenglin; Du, Yunfei","A new hypervalent iodine(iii/v) oxidant and its application to the synthesis of 2H-azirines","Chemical Science","2020","11","4","947","953","10.1039/C9SC05536C","","x-ray","1.54184","CuKα","","0.0662","0.0533","","","0.1252","0.1323","","","","","","1.098","","","","has coordinates","257317","2020-10-21","18:00:00",""
"1556866","9.035","0.0004","12.0924","0.0006","14.7514","0.0007","92.899","0.002","103.022","0.002","103.134","0.002","1520.32","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 B2 -","- C36 H50 B2 -","- C72 H100 B4 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0857","0.0708","","","0.1918","0.209","","","","","","1.224","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556867","10.6036","0.0003","17.5824","0.0005","17.446","0.0005","90","","125.621","0.001","90","","2643.98","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TMB + diphenylketene","","","- C32 H35 B O -","- C32 H35 B O -","- C128 H140 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.066","0.0561","","","0.1369","0.1426","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556868","10.0358","0.0004","12.1076","0.0006","43.226","0.002","90","","90","","90","","5252.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 B O -","- C34 H31 B O -","- C272 H248 B8 O8 -","8","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0605","0.0542","","","0.1396","0.1484","","","","","","1.19","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556869","11.5545","0.001","17.3432","0.0016","25.028","0.002","90","","95.757","0.002","90","","4990.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H60 Cl2 N4 O2 Ru -","- C60 H58 N4 O2 Ru -","- C240 H232 N16 O8 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.071","0.049","","","0.0905","0.0977","","","","","","1.061","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556870","11.0536","0.0007","11.1353","0.0007","11.8926","0.0007","97.46","0.003","108.927","0.004","107.647","0.003","1276.53","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","1","0.5","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.0567","0.0517","","","0.127","0.1315","","","","","","1.107","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556871","10.5317","0.0015","14.347","0.002","17.434","0.003","76.71","0.005","80.147","0.004","84.826","0.004","2522.3","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H27 F20 Fe N5 -","- C59 H27 F20 Fe N5 -","- C118 H54 F40 Fe2 N10 -","2","2","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1307","0.0898","","","0.2437","0.2779","","","","","","1.082","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556872","11.3588","0.0011","13.5043","0.0014","16.5422","0.0015","85.786","0.003","84.24","0.003","70.986","0.003","2384.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H50 Cl3 D Fe N4 -","- C58 H50 Fe N4 -","- C116 H100 Fe2 N8 -","2","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.0904","0.0588","","","0.1175","0.1308","","","","","","1.029","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556873","24.815","0.006","20.891","0.005","24.043","0.005","90","","100.174","0.007","90","","12268","5","149","2","149","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H39.5 F20 N8 Ru -","- C64 H36 F20 N8 Ru -","- C512 H288 F160 N64 Ru8 -","8","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1462","0.1093","","","0.2887","0.3252","","","","","","1.194","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556874","21.313","0.006","9.951","0.003","24.687","0.006","90","","107.778","0.011","90","","4986","2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Cu F12 N6 O2 P2 -","- C48 H54 Cu F12 N6 O2 P2 -","- C192 H216 Cu4 F48 N24 O8 P8 -","4","1","","Ryan, Michael C.; Kim, Yeon Jung; Gerken, James B.; Wang, Fei; Aristov, Michael M.; Martinelli, Joseph R.; Stahl, Shannon S.","Mechanistic insights into copper-catalyzed aerobic oxidative coupling of N‒N bonds","Chemical Science","2020","11","4","1170","1175","10.1039/C9SC04305E","","x-ray","0.71073","MoKα","","0.0327","0.0275","","","0.0698","0.0725","","","","","","1.035","","","","has coordinates,has disorder","257312","2020-10-21","18:00:00",""
"1556875","33.357","0.0002","32.3478","0.0003","45.8124","0.0003","90","","102.32","0.001","90","","48294.4","0.6","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6 -","- C303 H387.9 B98.4 F18 Fe4 N55.5 O36 S6 -","- C1212 H1551.6 B393.6 F72 Fe16 N222 O144 S24 -","4","1","","Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R.","Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage","Chemical Science","2020","11","4","1097","1101","10.1039/C9SC05728E","","","0.6889","Synchrotron","","0.1256","0.103","","","0.2631","0.2822","","","","","","1.027","","","","has coordinates,has disorder","257314","2020-10-21","18:00:00",""
"1556876","7.7711","0.0003","10.3961","0.0004","12.6341","0.0005","113.062","0.002","96.284","0.002","98.114","0.002","914.39","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.0343","0.0271","","","0.0569","0.059","","","","","","1.081","","","","has coordinates","257313","2020-10-21","18:00:00",""
"1556877","12.734","0.002","31.568","0.005","18.543","0.003","90","","107.358","0.003","90","","7115","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C240 H176 B4 F96 Fe4 O4 S16 Sn4 -","2","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.1035","0.0678","","","0.1719","0.1966","","","","","","1.028","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556878","9.5804","0.0015","23.505","0.004","30.294","0.005","90","","97.92","0.004","90","","6756.8","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C228 H214 B4 F96 N2 O2 S32 Sn8 -","4","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.1244","0.082","","","0.1755","0.1992","","","","","","1.065","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556879","40.752","0.003","18.985","0.0012","17.7197","0.0011","90","","107.903","0.002","90","","13045.5","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C122 H72 B2 F48 Ni2 P4 S8 -","- C122 H72 B2 F48 Ni2 P4 S8 -","- C488 H288 B8 F192 Ni8 P16 S32 -","4","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.0617","0.042","","","0.0906","0.0987","","","","","","1.013","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556880","14.1624","0.0015","18.3974","0.0019","20.189","0.002","94.073","0.002","103.397","0.002","106.515","0.002","4852.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H60 B F24 Ni2 P4 S8 -","- C90 H60 B F24 Ni2 P4 S8 -","- C180 H120 B2 F48 Ni4 P8 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.0416","0.0352","","","0.091","0.0963","","","","","","1.047","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556881","12.9111","0.0017","15.863","0.002","16.368","0.002","88.537","0.003","88.979","0.003","69.195","0.003","3132.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1437","0.0977","","","0.2003","0.2241","","","","","","1.087","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556882","13.503","0.003","19.054","0.004","28.239","0.006","105.082","0.005","91.975","0.004","90.73","0.005","7009","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C212 H136 B2 F48 Fe4 P8 Pd4 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1467","0.0914","","","0.1827","0.2038","","","","","","1.07","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556883","29.421","0.004","31.324","0.005","35.123","0.005","92.011","0.003","91.984","0.003","99.304","0.003","31897","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C540 H360 B6 F144 P24 Pd12 S48 -","- C540 H360 B6 F144 P24 Pd12 S48 -","- C1080 H720 B12 F288 P48 Pd24 S96 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.2699","0.177","","","0.3523","0.3959","","","","","","1.204","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556884","8.20579","0.00016","29.4208","0.0008","16.5731","0.0003","90","","93.223","0.002","90","","3994.76","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N3 O3 P -","- C40 H36 F6 N3 O3 P -","- C160 H144 F24 N12 O12 P4 -","4","2","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0903","0.0679","","","0.1859","0.2124","","","","","","1.01","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556885","27.6234","0.0011","16.7146","0.0005","21.7661","0.0009","90","","106.545","0.004","90","","9633.6","0.7","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H46 F6 N5 O2 P -","- C61 H46 F6 N5 O2 P -","- C488 H368 F48 N40 O16 P8 -","8","1","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0921","0.0542","","","0.1332","0.1556","","","","","","1.023","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556886","11.678","0.0004","12.9347","0.0005","27.785","0.009","90","","90.912","0.008","90","","4196.4","1.4","180.01","0.1","180.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C95 H78 Cl6 F12 N6 O2 P2 -","- C95 H78 Cl6 F12 N6 O2 P2 -","- C190 H156 Cl12 F24 N12 O4 P4 -","2","0.5","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0822","0.067","","","0.1913","0.2057","","","","","","1.04","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556888","14.8945","0.0001","12.1188","0.0001","10.2846","0.0001","90","","105.825","0.001","90","","1786.05","0.03","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 N2 O4 S -","- C18 H14 F4 N2 O4 S -","- C72 H56 F16 N8 O16 S4 -","4","1","","Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof","Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket","IUCrJ","2020","7","1","71","82","10.1107/S2052252519014416","","","0.71073","MoKα","","0.033","0.02","","","","0.02","","","","","","1.066","","","","has coordinates","246420","2020-10-21","18:00:00",""
"1556889","24.633","0.011","12.093","0.004","15.509","0.006","90","","108.48","0.012","90","","4382","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Cu2 N2 O8 -","- C54 H42 Cu2 N2 O8 -","- C216 H168 Cu8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0379","0.0335","","","0.0815","0.084","","","","","","1.029","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556890","24.9699","0.0008","12.1074","0.0004","15.4675","0.0004","90","","108.809","0.001","90","","4426.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0457","0.0309","","","0.0731","0.0789","","","","","","1.025","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556891","25.1802","0.0018","12.0004","0.0009","15.5976","0.001","90","","108.802","0.002","90","","4461.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0313","0.0269","","","0.071","0.0733","","","","","","1.069","","","","has coordinates,has disorder","246421","2020-10-21","18:00:00",""
"1556892","10.3725","0.0005","11.0398","0.0005","12.0294","0.0005","71.354","0.001","66.229","0.001","65.356","0.001","1126.6","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","1","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0333","0.0283","","","0.0675","0.0701","","","","","","1.069","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556893","5.392","0.003","6.806","0.003","11.261","0.005","90","","90","","90","","413.3","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pyridine II","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","1","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.04","0.029","","","0.0583","0.0602","","","","","","0.882","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1556894","5.4053","0.0004","5.4053","0.0004","13.4853","0.0014","90","","90","","90","","394","0.06","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pyridine III","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","0.5","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.0786","0.0755","","","0.1864","0.1956","","","","","","1.137","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1556899","13.0353","0.0006","18.6391","0.0009","19.8731","0.001","108.331","0.003","108.152","0.003","101.306","0.003","4117.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C144 H300 Ni6 S12 -","- C144 H300 Ni6 S12 -","- C144 H300 Ni6 S12 -","1","0.5","","Zhuang, Zhihua; Chen, Wei","One-step rapid synthesis of Ni<sub>6</sub>(C<sub>12</sub>H<sub>25</sub>S)<sub>12</sub> nanoclusters for electrochemical sensing of ascorbic acid.","The Analyst","2020","145","7","2621","2630","10.1039/c9an01947b","","","1.54178","CuKα","","0.1673","0.0723","","","0.1848","0.2606","","","","","","0.832","","","","has coordinates","250145","2020-10-21","18:00:00",""
"1556900","26.7934","0.0005","12.4321","0.0003","39.1414","0.0007","90","","106.494","0.002","90","","12501.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H79 Cl2 N5 O6 Pt S -","- C62 H79 Cl2 N5 O6 Pt S -","- C496 H632 Cl16 N40 O48 Pt8 S8 -","8","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","K-L~3~","0.0398","0.0371","","","0.0997","0.1021","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556901","10.1982","0.0005","18.2063","0.0007","19.7708","0.0008","105.665","0.004","99.693","0.004","96.105","0.004","3439.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H79 B2 F8 N7 O6 Pt -","- C67 H79 B2 F8 N7 O6 Pt -","- C134 H158 B4 F16 N14 O12 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.1196","0.0732","","","0.1605","0.1855","","","","","","1.013","","","","has coordinates","257361","2020-10-21","18:00:00",""
"1556902","11.78747","0.00013","15.5279","0.0002","22.4447","0.0003","101.252","0.0011","102.144","0.001","103.723","0.001","3769.49","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H76 F6 N6 O6 Pt Sb -","- C65 H76 F6 N6 O6 Pt Sb -","- C130 H152 F12 N12 O12 Pt2 Sb2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0443","0.041","","","0.1157","0.1182","","","","","","1.053","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556903","21.738","0.0004","14.9289","0.0003","21.8888","0.0005","90","","107.531","0.002","90","","6773.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H77 B F4 N8 O5 Pt -","- C65 H75 B F4 N6 O5 Pt -","- C260 H300 B4 F16 N24 O20 Pt4 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0412","0.0306","","","0.1057","0.1134","","","","","","0.866","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556904","18.7462","0.0004","15.4022","0.0003","27.6759","0.0005","90","","104.791","0.002","90","","7726.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C276 H340 Ag4 F48 N24 O24 Pt4 Sb8 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","","0.0984","0.0676","","","0.1755","0.1971","","","","","","1.039","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556905","12.2375","0.0001","14.6363","0.0002","18.2789","0.0002","81.118","0.001","76.017","0.001","74.098","0.001","3041.7","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H72 B F4 N5 O5 Pt -","- C60 H72 B F4 N5 O5 Pt -","- C120 H144 B2 F8 N10 O10 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.0267","0.0239","","","0.0567","0.0577","","","","","","1.042","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556906","13.0371","0.0005","18.3984","0.0008","18.4639","0.0008","88.81","0.003","89.789","0.003","83.438","0.003","4398.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C134 H154 Ag2 F30 N14 O10 Pt2 Sb5 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0804","0.0651","","","0.1632","0.1722","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556907","30.4605","0.0006","11.6596","0.0002","6.1159","0.0001","90","","90","","90","","2172.11","0.07","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C92 H96 N8 O20 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0386","0.0362","","","0.0887","0.0904","","","","","","1.073","","","","has coordinates,has disorder","250231","2020-10-21","18:00:00",""
"1556908","7.191","0.0001","13.5045","0.0001","18.6644","0.0002","90","","90","","90","","1812.52","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.1052","0.1083","","","","","","0.948","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556909","6.8118","0.0001","17.5495","0.0001","15.1113","0.0001","90","","91.427","0.001","90","","1805.9","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0833","0.0846","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556910","10.18405","0.00005","9.71457","0.00005","18.82762","0.00009","90","","93.0169","0.0004","90","","1860.1","0.016","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21.25 N3 O2.125 -","- C22 H21.25 N3 O2.125 -","- C88 H85 N12 O8.5 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0679","0.0682","","","","","","1.044","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1556911","32.8358","0.0003","11.60538","0.0001","5.85758","0.00007","90","","90","","90","","2232.16","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F3 N2 O4 S -","- C24 H21 F3 N2 O4 S -","- C96 H84 F12 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0618","0.0616","","","0.1477","0.1478","","","","","","1.093","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556912","12.4713","0.00005","9.02632","0.00004","17.84198","0.00007","90","","92.8702","0.0004","90","","2005.95","0.014","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C88 H100 N12 O8 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0739","0.0743","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556913","10.10659","0.00011","5.94958","0.00005","13.62038","0.0001","90","","99.5974","0.0008","90","","807.53","0.013","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0699","0.0705","","","","","","1.046","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556914","8.33247","0.00002","15.71709","0.00006","17.93381","0.00005","90","","90","","90","","2348.65","0.012","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0279","0.0277","","","0.0703","0.0705","","","","","","1.085","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556915","6.0985","0.0004","11.5023","0.0005","30.8387","0.0015","90","","90","","90","","2163.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 S -","- C24 H24 N2 O4 S -","- C96 H96 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0871","0.0624","","","0.155","0.1773","","","","","","1.098","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556927","14.7908","0.0009","7.8079","0.0003","27.592","0.001","90","","99.197","0.003","90","","3145.5","0.3","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 I2 N3 Pd -","- C9 H19 I2 N3 Pd -","- C72 H152 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0756","0.0668","","","0.1728","0.1816","","","","","","0.972","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556928","17.5721","0.0007","12.5994","0.0008","8.4655","0.0004","90","","99.55","0.003","90","","1848.27","0.16","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 I2 N3 Pd -","- C13 H21 I2 N3 Pd -","- C52 H84 I8 N12 Pd4 -","4","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0762","0.0626","","","0.1764","0.1857","","","","","","0.945","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556929","21.6545","0.0007","8.657","0.0002","20.1671","0.0008","90","","95.408","0.003","90","","3763.8","0.2","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 I2 N3 Pd -","- C15 H17 I2 N3 Pd -","- C120 H136 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","0.71073","MoKα","","0.0813","0.044","","","0.1011","0.1489","","","","","","1.01","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556930","9.5333","0.0007","10.964","0.0008","11.3716","0.0007","62.48","0.005","79.571","0.005","67.896","0.005","976.59","0.13","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I2 N3 Pd -","- C16 H19 I2 N3 Pd -","- C32 H38 I4 N6 Pd2 -","2","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0843","0.0642","","","0.1824","0.2174","","","","","","1.047","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556981","12.913","0.0008","12.913","0.0008","12.913","0.0008","90","","90","","90","","2153.2","0.2","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Zr1.5Nb0.5O12","","","- La3 Li6.5 Nb0.5 O12 Zr1.5 -","- La3 Li6.432 Nb0.5 O12 Zr1.5 -","- La24 Li51.456 Nb4 O96 Zr12 -","8","0.0833333","","Kataoka, K.","Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications","Journal of the Ceramic Society of Japan","2020","128","","7","18","10.2109/jcersj2.19094","","","","","","","","","","","","","","","","","","","","","has coordinates","246662","2020-10-21","18:00:00",""
"1556982","12.9445","0.0006","12.9445","0.0006","12.9445","0.0006","90","","90","","90","","2168.98","0.17","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Zr1.5Ta0.5O12","","","- La3 Li6.5 O12 Ta0.5 Zr1.5 -","- La3 Li6.312 O12 Ta0.5 Zr1.5 -","- La24 Li50.496 O96 Ta4 Zr12 -","8","0.0833333","","Kataoka, K.","Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications","Journal of the Ceramic Society of Japan","2020","128","","7","18","10.2109/jcersj2.19094","","","","","","","","","","","","","","","","","","","","","has coordinates","246664","2020-10-21","18:00:00",""
"1556983","7.4338","0.0001","19.1874","0.0001","28.7281","0.0001","90","","90","","90","","4097.64","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19.35 N5 O4.18 -","- C23 H19.35 N5 O4.175 -","- C184 H154.8 N40 O33.4 -","8","2","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","x-ray","1.54184","CuKα","","0.0261","0.0254","","","0.065","0.0654","","","","","","1.032","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1556984","13.718","0.001","13.718","0.001","21.48","0.0017","90","","90","","120","","3500.6","0.5","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H25 N5 O5 -","- C25 H25 N5 O5 -","- C150 H150 N30 O30 -","6","1","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","","1.54178","CuKα","","0.0382","0.0361","","","0.1184","0.1219","","","","","","1.063","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1556985","4.6777","","8.716","","17.1651","","90","","91.394","","90","","699.628","","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N4 O8 P2 S2 -","- C6 H12 N4 O8 P2 S2 -","- C12 H24 N8 O16 P4 S4 -","2","0.5","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0418","0.0402","","","0.1074","0.1097","","","","","","1.073","","","","has coordinates","246712","2020-10-21","18:00:00",""
"1556986","11.0254","","7.0847","","13.0691","","90","","96.516","","90","","1014.26","","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 N4 O16 P4 S2 -","- C6 H20 N4 O16 P4 S2 -","- C12 H40 N8 O32 P8 S4 -","2","0.5","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0776","0.0519","","","0.123","0.1458","","","","","","1.139","","","","has coordinates","246713","2020-10-21","18:00:00",""
"1556987","5.40917","0.00018","7.805","0.0003","8.856","0.0004","63.995","0.003","84.123","0.003","83.101","0.003","333.08","0.02","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H6 N2 O4 P S -","- C3 H6 N2 O4 P S -","- C6 H12 N4 O8 P2 S2 -","2","1","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0602","0.0536","","","0.1478","0.1514","","","","","","1.086","","","","has coordinates","246714","2020-10-21","18:00:00",""
"1556988","5.26221","0.00011","8.96277","0.00016","10.8217","0.0002","97.609","0.0013","95.9417","0.0015","98.5964","0.0012","496.242","0.017","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H9 N2 O8 P2 S -","- C3 H9 N2 O8 P2 S -","- C6 H18 N4 O16 P4 S2 -","2","1","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0511","0.0486","","","0.1365","0.1384","","","","","","1.083","","","","has coordinates","246715","2020-10-21","18:00:00",""
"1556989","13.8433","0.0004","10.0451","0.0002","8.1208","0.0003","90","","95.19","0.002","90","","1124.63","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N4 O4 P S2 -","- C6 H9 N4 O4 P S2 -","- C24 H36 N16 O16 P4 S8 -","4","1","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0444","0.0397","","","0.1058","0.113","","","","","","1.09","","","","has coordinates","246716","2020-10-21","18:00:00",""
"1556992","9.7263","0.0008","11.8883","0.001","24.935","0.002","90","","90","","90","","2883.2","0.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","1","","Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng","Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light","Chemical Science","2020","11","8","2130","2135","10.1039/C9SC06184C","","","0.71073","MoKα","","0.0511","0.0417","","","0.108","0.1148","","","","","","1.044","","","","has coordinates","257301","2020-10-21","18:00:00",""
"1556993","10.6565","0.0007","11.1408","0.0009","12.3","0.001","69.374","0.003","76.912","0.003","65.303","0.003","1236.26","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.71073","MoKα","","0.0782","0.0504","","","0.1262","0.1367","","","","","","1.077","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556994","9.072","0.0018","9.846","0.002","23.918","0.005","90","","90","","90","","2136.4","0.8","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C112 H104 N8 -","4","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.73","synchrotron","","0.0643","0.0588","","","0.1755","0.1815","","","","","","1.154","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556995","37.1066","0.0017","31.0733","0.0015","11.8903","0.0006","90","","99.208","0.002","90","","13533.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LMOF-231-F0.2; Zn2(tcbpe)0.8(tcbpe-F)0.2","LMOF-305","","- C54 H31.2 F0.8 O8 Zn2 -","- C54 H31.2 F0.8 O8 Zn2 -","- C432 H249.6 F6.4 O64 Zn16 -","8","1","","Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing","Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs","Chemical Science","2020","11","7","1814","1824","10.1039/C9SC05721H","","","0.7749","synchrotron","","0.1128","0.0807","","","0.2374","0.2512","","","","","","1.24","","","","has coordinates,has disorder","257363","2020-10-21","18:00:00",""
"1557016","9.223","0.004","6.718","0.003","15.694","0.007","90","","90.983","0.007","90","","972.3","0.7","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-diethynyl-2,5-bis(hexyloxy)benzene","","- C22 H30 O2 -","- C22 H30 O2 -","- C44 H60 O4 -","2","0.5","","Shu, Zhibin; Zhang, Qing; Zhang, Pan; Qin, Zhengsheng; Liu, Dan; Gao, Xiong; Guan, Bo; Qi, Haoyuan; Xiao, Mengqi; Wei, Zhongming; Dong, Huanli; Hu, Wenping","Preparing two-dimensional crystalline conjugated polymer films by synergetic polymerization and self-assembly at air/water interface","Polymer Chemistry","2020","11","9","1572","1579","10.1039/C9PY01836K","","","0.71075","MoKα","","0.0927","0.0788","","","0.1393","0.1453","","","","","","1.251","","","","has coordinates","257947","2020-10-21","18:00:00",""
"1557022","10.066","0.0013","8.4068","0.0011","10.9787","0.0014","90","","104.155","0.004","90","","900.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H18 Br5 N3 Pb S2 -","- C4 H14 Br5 N3 Pb S2 -","- C8 H28 Br10 N6 Pb2 S4 -","2","1","","Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan","Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11033","","","0.71073","MoKα","","0.0717","0.0696","","","0.2101","0.2163","","","","","","1.098","","","","has coordinates","246789","2020-10-21","18:00:00",""
"1557023","13.3113","0.0005","8.5838","0.0004","12.0368","0.0005","90","","90.406","0.002","90","","1375.31","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Br4 N3 Pb S -","- C3 H11 Br4 N3 Pb S -","- C12 H44 Br16 N12 Pb4 S4 -","4","1","","Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan","Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11033","","","0.71073","MoKα","","0.0435","0.0331","","","0.0848","0.0887","","","","","","1.014","","","","has coordinates","246790","2020-10-21","18:00:00",""
"1557024","41.708","0.01","5.7563","0.001","12.67","0.003","90","","98.46","0.02","90","","3008.8","1.2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 S4 -","- C38 H34 S4 -","- C152 H136 S16 -","4","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1902","0.1043","","","0.1784","0.2208","","","","","","1.089","","","","has coordinates,has disorder","257360","2020-10-21","18:00:00",""
"1557025","23.82","0.03","5.837","0.006","12.5","0.014","90","","104.133","0.018","90","","1685","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1864","0.1165","","","0.2407","0.2799","","","","","","1.089","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557026","22.15","0.003","5.7413","0.0007","13.1188","0.0016","90","","95.85","0.007","90","","1659.6","0.4","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71075","MoKα","","0.1411","0.0965","","","0.2486","0.2772","","","","","","1.118","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557027","28.173","0.003","16.4313","0.0017","20.453","0.002","90","","90.107","0.004","90","","9468.1","1.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C66 H30 Al3 Ba F89 O9 -","- C66 H30 Al3 Ba F89 O9 -","- C264 H120 Al12 Ba4 F356 O36 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","","0.71073","MoKα","","0.0355","0.0323","","","0.0751","0.0768","","","","","","0.942","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557028","17.765","0.006","20.654","0.007","20.031","0.008","90","","93.018","0.014","90","","7340","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H26 Al2 Ca F68 O7 -","- C52 H26 Al2 Ca F68 O7 -","- C208 H104 Al8 Ca4 F272 O28 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.1221","0.0863","","","0.2002","0.219","","","","","","1.058","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557029","10.6319","0.0004","22.3961","0.0008","24.4869","0.0009","79.144","0.001","79.696","0.001","77.759","0.001","5537.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Al2 F55 In O6 -","- C36 H18 Al2 F55 In O6 -","- C144 H72 Al8 F220 In4 O24 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.078","0.0496","","","0.1162","0.1295","","","","","","1.049","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557030","14.3953","0.0004","18.2606","0.0005","25.8315","0.0007","73.784","0.001","74.37","0.002","66.821","0.001","5895.1","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H22 Al2 F74 Mg N6 O8 -","- C50 H22 Al2 F74 Mg N6 O8 -","- C150 H66 Al6 F222 Mg3 N18 O24 -","3","3","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0722","0.0511","","","0.1185","0.1294","","","","","","1.04","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557031","13.8661","0.0005","20.2883","0.0008","23.0336","0.0009","80.031","0.001","85.985","0.001","79.942","0.001","6278.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 F118 O12 Sr -","- C84 H34 Al4 F118 O12 Sr -","- C168 H68 Al8 F236 O24 Sr2 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0588","0.0376","","","0.0819","0.0907","","","","","","1.008","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557032","13.9542","0.0007","20.3286","0.0011","22.9128","0.0012","80.085","0.002","84.743","0.002","80.239","0.002","6296.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 Ca F118 O12 -","- C84 H34 Al4 Ca F118 O12 -","- C168 H68 Al8 Ca2 F236 O24 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0686","0.0519","","","0.1288","0.1407","","","","","","1.031","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557033","23.429","0.0015","18.9075","0.0012","22.4874","0.0014","90","","118.27","0.002","90","","8773.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H26 Al3 Ca F87 O9 -","- C60 H26 Al3 Ca F87 O9 -","- C240 H104 Al12 Ca4 F348 O36 -","4","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0769","0.0556","","","0.1526","0.1664","","","","","","1.029","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557034","13.5412","0.0009","25.3825","0.0017","27.3385","0.0017","90.017","0.002","90.111","0.002","92.474","0.002","9387.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H30 Al3 F89 O9 Sr -","- C66 H30 Al3 F89 O9 Sr -","- C264 H120 Al12 F356 O36 Sr4 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0746","0.0543","","","0.1357","0.1484","","","","","","1.026","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557040","10.0349","0.0004","8.3874","0.0004","17.4347","0.0008","90","","91.005","0.004","90","","1467.2","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Br2 N2 O -","- C17 H10 Br2 N2 O -","- C68 H40 Br8 N8 O4 -","4","1","","Sala, Samuele; Nealon, Gareth L.; Sobolev, Alexandre N.; Fromont, Jane; Gomez, Oliver; Flematti, Gavin R.","Structure Reassignment of Echinosulfone A and the Echinosulfonic Acids A-D Supported by Single-Crystal X-ray Diffraction and Density Functional Theory Analysis.","Journal of natural products","2020","83","1","105","110","10.1021/acs.jnatprod.9b00902","","","1.54178","CuKα","","0.0573","0.0437","","","0.1056","0.1177","","","","","","1","","","","has coordinates","247537","2020-10-21","18:00:00",""
"1557041","11.1088","0.0001","21.1979","0.0002","15.9518","0.0002","90","","108.641","0.001","90","","3559.32","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Br N2 O -","- C40 H49 Br N2 O -","- C160 H196 Br4 N8 O4 -","4","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","0.71073","MoKα","","0.0354","0.0302","","","0.0775","0.08","","","","","","1.046","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557042","10.35522","0.00015","11.18263","0.00016","16.4194","0.0002","100.307","0.0012","95.6535","0.0012","99.0466","0.0012","1831.63","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N2 Ni O3 -","- C42 H44 N2 Ni O3 -","- C84 H88 N4 Ni2 O6 -","2","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","1.54184","CuKα","","0.0335","0.0319","","","0.085","0.0863","","","","","","1.036","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557043","12.2795","0.0003","16.812","0.0003","19.2885","0.0004","90","","93.6946","0.0019","90","","3973.7","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Au Cl N2 -","- C46 H52 Au Cl N2 -","- C184 H208 Au4 Cl4 N8 -","4","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0971","0.0993","","","","","","1.166","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557044","38.4682","0.0004","38.4682","0.0004","9.5772","0.0002","90","","90","","90","","14172.4","0.4","100","0.1","100","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C39 H44 N2 -","- C39 H44 N2 -","- C624 H704 N32 -","16","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","1.54184","CuKα","","0.0519","0.0441","","","0.102","0.1068","","","","","","1.041","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557045","5.3182","0.0004","10.94","0.0007","23.9705","0.0016","90","","90","","90","","1394.63","0.17","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","","Burg, Finn; Breitenlechner, Stefan; Jandl, Christian; Bach, Thorsten","Enantioselective oxygenation of exocyclic methylene groups by a manganese porphyrin catalyst with a chiral recognition site","Chemical Science","2020","11","8","2121","2129","10.1039/C9SC06089H","","x-ray","0.71073","MoKα","","0.027","0.0268","","","0.0737","0.0741","","","","","","1.078","","","","has coordinates","257303","2020-10-21","18:00:00",""
"1557052","5.899","0.002","7.547","0.003","20.535","0.008","83.465","0.009","84.681","0.01","82.512","0.008","897.7","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","12CM007","","","- C22 H28 N -","- C22 H28 N -","- C44 H56 N2 -","2","1","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","0.71073","MoKα","","0.0942","0.0478","","","0.1117","0.1293","","","","","","1.015","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557053","13.0175","0.0005","9.329","0.0003","8.3512","0.0003","90","","106.37","0.002","90","","973.06","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12CM104","","","- C28 H18 O2 -","- C28 H18 O2 -","- C56 H36 O4 -","2","0.5","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","1.54178","CuKα","","0.0382","0.0351","","","0.0922","0.0952","","","","","","1.026","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557054","16.5305","0.0008","18.7386","0.001","10.5281","0.0006","90","","90","","90","","3261.2","0.3","200","1","200","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H14 I N -","- C20 H14 I N -","- C160 H112 I8 N8 -","8","1","","Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00418","","","1.54178","CuKα","","0.0273","0.0262","","","0.0702","0.0715","","","","","","1.042","","","","has coordinates,has disorder","246926","2020-10-21","18:00:00",""
"1557055","27.001","0.0012","6.0841","0.0003","25.1455","0.0011","90","","108.298","0.002","90","","3922","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 B Cl2 O2 -","- C20 H21 B Cl2 O2 -","- C160 H168 B8 Cl16 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0628","0.042","","","0.1146","0.1241","","","","","","1.034","","","","has coordinates","265223","2021-05-14","14:10:01",""
"1557056","35.07","0.003","6.2286","0.0007","20.596","0.002","90","","119.212","0.005","90","","3926.8","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0989","0.0489","","","0.0999","0.1109","","","","","","1.012","","","","has coordinates","265223","2021-05-14","14:10:12",""
"1557057","25.447","0.003","6.3811","0.0008","24.281","0.003","90","","90","","90","","3942.7","0.8","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","2","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0574","0.045","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","265223","2021-05-14","14:10:14",""
"1557058","13.824","0.003","13.824","0.003","40.089","0.008","90","","90","","120","","6635","2","100","2","100","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C219 H342 B6 Cl6 F24 N24 P24 Rh6 -","6","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.71073","MoKα","","0.0709","0.0567","","","0.14","0.1458","","","","","","1.156","","","","has coordinates,has disorder","257223","2020-10-21","18:00:00",""
"1557059","9.7105","0.0003","14.3281","0.0004","11.2851","0.0003","90","","96.031","0.003","90","","1561.44","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C54 H84 B2 Cl4 F8 N4 P4 Rh2 -","2","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.7107","MoKα","","0.0533","0.0514","","","0.1669","0.1682","","","","","","1.443","","","","has coordinates","257223","2020-10-21","18:00:00",""
"1557060","8.52831","0.00011","10.39109","0.00014","11.21545","0.00016","117.584","0.0014","92.3119","0.0011","95.1854","0.0011","873.5","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N S Si -","- C18 H19 N S Si -","- C36 H38 N2 S2 Si2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0379","0.0335","","","0.095","0.0982","","","","","","1.068","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557061","20.6204","0.0008","9.4103","0.0003","16.7239","0.0006","90","","120.205","0.005","90","","2804.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N O S -","- C17 H13 N O S -","- C136 H104 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0358","0.0309","","","0.0897","0.0925","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557062","13.1964","0.0002","13.3812","0.0002","16.7048","0.0003","90","","90","","90","","2949.79","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O S -","- C18 H15 N O S -","- C144 H120 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0365","0.0312","","","0.0875","0.0903","","","","","","1.059","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557063","10.9143","0.0002","7.26579","0.00018","12.4737","0.0002","90","","104.425","0.002","90","","957.99","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0352","0.0307","","","0.0809","0.0847","","","","","","1.057","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557064","10.6588","0.0004","8.0663","0.0003","20.1272","0.0008","90","","95.886","0.003","90","","1721.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N S Se Si -","- C16 H21 N S Se Si -","- C64 H84 N4 S4 Se4 Si4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0404","0.032","","","0.0689","0.0718","","","","","","1.078","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557065","13.9373","0.0006","7.7203","0.0003","17.0136","0.0007","90","","105.984","0.005","90","","1759.89","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N S -","- C22 H23 N S -","- C88 H92 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0531","0.0419","","","0.0951","0.1003","","","","","","1.051","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557066","7.5133","0.0002","25.6215","0.0007","8.2645","0.0003","90","","100.591","0.003","90","","1563.83","0.08","102","2","102","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 S -","- C21 H20 S -","- C84 H80 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0429","0.0371","","","0.0887","0.0917","","","","","","1.077","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557067","6.9027","0.0006","7.3743","0.0006","9.3503","0.0007","68.861","0.008","73.292","0.008","84.246","0.006","425.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 N S -","- C10 H7 N S -","- C20 H14 N2 S2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0377","0.0325","","","0.0779","0.0813","","","","","","1.052","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557068","12.2557","0.0002","9.5626","0.0002","21.5616","0.0004","90","","90","","90","","2526.94","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C128 H88 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0333","0.0303","","","0.0792","0.0822","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557069","11.1885","0.0007","11.263","0.0004","12.1884","0.0007","90","","116.756","0.008","90","","1371.48","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N S -","- C17 H17 N S -","- C68 H68 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0511","0.0386","","","0.0847","0.0915","","","","","","1.038","","","","has coordinates,has disorder","257365","2020-10-21","18:00:00",""
"1557075","17.5623","0.0006","13.934","0.0004","20.8795","0.0007","90","","92.113","0.002","90","","5106","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H67 N3 O6 P2 Ru -","- C55 H67 N3 O6 P2 Ru -","- C220 H268 N12 O24 P8 Ru4 -","4","1","","Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martín; Nova, Ainara","Rational selection of co-catalysts for the deaminative hydrogenation of amides.","Chemical science","2020","11","8","2225","2230","10.1039/c9sc03812d","","","0.71073","MoKα","","0.0874","0.0631","","","0.1484","0.1638","","","","","","1.169","","","","has coordinates","250222","2020-10-21","18:00:00",""
"1557079","12.77764","0.00017","5.95718","0.00005","12.86001","0.00011","90","","100.546","0.001","90","","962.352","0.018","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0737","0.0741","","","","","","1.044","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557080","10.3193","0.0001","10.5258","0.0001","18.2046","0.0002","90","","90","","90","","1977.36","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0292","0.0282","","","0.0695","0.0702","","","","","","1.041","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557081","5.909","0.0001","12.8175","0.0002","27.4929","0.0004","90","","90","","90","","2082.27","0.06","120","2","120","2","","","","","","","petroleum ether, EtOAc","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0577","0.0583","","","","","","1.06","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557082","21.613","0.0013","12.1859","0.0007","13.5922","0.0007","90","","104.043","0.006","90","","3472.8","0.4","150","0.3","150","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C192 H144 O24 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0688","0.053","","","0.1258","0.1351","","","","","","1.071","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557083","14.145","0.002","7.441","0.001","24.56","0.004","90","","96.17","0.013","90","","2570","0.7","149.9","0.3","149.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1401","0.0709","","","0.1404","0.176","","","","","","0.975","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557084","16.2589","0.001","6.7715","0.0003","16.4568","0.0009","90","","106.511","0.006","90","","1737.14","0.17","149.9","0.3","149.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl O3 -","- C22 H15 Cl O3 -","- C88 H60 Cl4 O12 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0762","0.0521","","","0.1056","0.1222","","","","","","1.053","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557085","12.5579","0.001","5.2167","0.0004","35.021","0.003","90","","94.917","0.007","90","","2285.8","0.3","150","0.3","150","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O7 -","- C25 H24 O7 -","- C100 H96 O28 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1549","0.0968","","","0.2006","0.2306","","","","","","1.083","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557086","29.9022","0.0018","11.0935","0.0006","13.4816","0.0007","90","","99.73","0.005","90","","4407.8","0.4","149.9","0.3","149.9","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0787","0.0545","","","0.1208","0.1334","","","","","","1.042","","","","has coordinates,has disorder","257358","2020-10-21","18:00:00",""
"1557087","9.3923","0.0003","29.4208","0.0008","11.9664","0.0003","90","","102.511","0.003","90","","3228.14","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 F6 N3 O P -","- C39 H34 F6 N3 O P -","- C156 H136 F24 N12 O4 P4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.075","0.065","","","0.1706","0.1803","","","","","","1.026","","","","has coordinates","257369","2020-10-21","18:00:00",""
"1557088","9.53897","0.0001","23.141","0.0002","9.5721","0.0001","90","","107.33","0.0012","90","","2017.04","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.036","0.0349","","","0.0958","0.0967","","","","","","1.001","","","","has coordinates,has disorder","257369","2020-10-21","18:00:00",""
"1557089","25.4899","0.0016","18.8304","0.0012","25.7453","0.0016","90","","103.128","0.0009","90","","12034.4","1.3","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C312 H760 Dy8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0738","0.0373","","","0.0667","0.0846","","","","","","1.114","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557090","11.0616","0.001","27.199","0.002","21.7721","0.0019","90","","103.885","0.0012","90","","6359","0.9","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Dy K N3 O12 Si6 -","- C42 H102 Dy K N3 O12 Si6 -","- C168 H408 Dy4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0678","0.0426","","","0.0928","0.1025","","","","","","1.023","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557091","25.453","0.003","18.757","0.002","25.744","0.003","90","","103.142","0.0015","90","","11969","2","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C312 H760 K8 N24 O84 Si48 Tm8 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0349","0.0244","","","0.0509","0.0554","","","","","","1.011","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557092","21.956","0.002","22.554","0.002","25.737","0.003","90","","90","","90","","12745","2","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H102 K N3 O12 Si6 Tm -","- C42 H102 K N3 O12 Si6 Tm -","- C336 H816 K8 N24 O96 Si48 Tm8 -","8","2","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0941","0.0522","","","0.091","0.1048","","","","","","1.009","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557093","12.6614","0.0013","15.5498","0.0015","21.205","0.002","94.4758","0.0013","94.0831","0.0013","105.746","0.0012","3987.4","0.7","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C104 H248 Gd4 K4 N8 O32 Si16 -","2","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0538","0.0332","","","0.0614","0.0672","","","","","","0.989","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557094","18.564","0.003","18.564","0.003","18.05","0.003","90","","90","","120","","5387","1.5","88","2","88","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C36 H90 Gd K N5 O6 Si6 -","- C36 H90 Gd K N5 O6 Si6 -","- C108 H270 Gd3 K3 N15 O18 Si18 -","3","0.166667","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0304","0.0235","","","0.0411","0.0426","","","","","","1.005","","","","has coordinates","257359","2020-10-21","18:00:00",""
"1557095","11.064","0.003","27.08","0.006","21.797","0.005","90","","103.991","0.003","90","","6337","3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Er K N3 O12 Si6 -","- C42 H102 Er K N3 O12 Si6 -","- C168 H408 Er4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0703","0.0496","","","0.1012","0.1081","","","","","","1.091","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557096","11.0476","0.0011","27.157","0.003","21.797","0.002","90","","103.905","0.0012","90","","6347.9","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Ho K N3 O12 Si6 -","- C42 H102 Ho K N3 O12 Si6 -","- C168 H408 Ho4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0417","0.0368","","","0.0883","0.0914","","","","","","1.028","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557097","11.1493","0.0011","27.059","0.003","21.755","0.002","90","","104.007","0.0013","90","","6368.1","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Gd K N3 O12 Si6 -","- C42 H102 Gd K N3 O12 Si6 -","- C168 H408 Gd4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0623","0.0466","","","0.0904","0.0953","","","","","","1.1","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557098","11.1324","0.0018","27.081","0.004","21.775","0.004","90","","103.924","0.002","90","","6371.8","1.8","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Tb -","- C42 H102 K N3 O12 Si6 Tb -","- C168 H408 K4 N12 O48 Si24 Tb4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0461","0.0356","","","0.0804","0.0855","","","","","","1.024","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557099","25.507","0.011","18.806","0.008","25.726","0.011","90","","103.21","0.006","90","","12014","9","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C312 H760 Gd8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.1704","0.1015","","","0.2455","0.2892","","","","","","1.027","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557100","11.0774","0.0007","27.0905","0.0018","21.7959","0.0014","90","","104","0.0009","90","","6346.5","0.7","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Y -","- C42 H102 K N3 O12 Si6 Y -","- C168 H408 K4 N12 O48 Si24 Y4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.069","0.0516","","","0.1294","0.1384","","","","","","1.026","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557101","25.514","0.003","18.8","0.002","25.712","0.003","90","","103.167","0.0015","90","","12009","2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C312 H760 Ho8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0345","0.0251","","","0.0554","0.0589","","","","","","1.025","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557105","28.36","0.0004","12.35285","0.00017","27.666","0.0004","90","","94.6541","0.0014","90","","9660.2","0.2","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C104 H96 B4 F16 N8 O4 Pd2 -","- C88 H56 B4 F16 N8 Pd2 -","- C352 H224 B16 F64 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.0494","0.0419","","","0.1118","0.119","","","","","","1.055","","","","has coordinates,has disorder","257420","2020-10-21","18:00:00",""
"1557106","23.2193","0.0009","15.8896","0.0005","38.7298","0.0015","90","","112.281","0.005","90","","13222.3","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C123 H119 B4 F16 N17 O9 Pd2 -","- C96 H56 N8 Pd2 -","- C384 H224 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.106","0.0994","","","0.2702","0.2743","","","","","","1.078","","","","has coordinates","257420","2020-10-21","18:00:00",""
"1557107","6.29025","0.00014","7.62301","0.00017","32.0065","0.0007","90","","90.1584","0.0019","90","","1534.73","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 I N2 -","- C16 H19 I N2 -","- C64 H76 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0579","0.0469","","","0.1315","0.1683","","","","","","1.166","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557108","14.6729","0.0007","15.6807","0.0007","16.4518","0.0007","85.945","0.004","73.88","0.004","62.636","0.005","3222.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H87 I3 N5 O2 -","- C64 H87 I3 N5 O2 -","- C128 H174 I6 N10 O4 -","2","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0742","0.0496","","","0.1393","0.1579","","","","","","0.999","","","","has coordinates,has disorder","257424","2020-10-21","18:00:00",""
"1557109","6.9063","0.0002","7.9318","0.0002","30.157","0.0006","90","","90","","90","","1651.98","0.07","173","0.02","173","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N2 -","- C17 H18 I N2 -","- C68 H72 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.058","0.0518","","","0.1385","0.1451","","","","","","1.045","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557110","13.2857","0.0009","13.9411","0.0008","20.5686","0.0015","103.573","0.002","95.666","0.003","116.252","0.002","3230.4","0.4","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","UImNHC","","- C73 H92 N5 O2 U -","- C73 H92 N5 O2 U -","- C146 H184 N10 O4 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0705","0.0476","","","0.1016","0.1133","","","","","","1.074","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557111","13.1219","0.0004","13.5561","0.0005","20.3099","0.0007","78.109","0.002","76.264","0.002","68.201","0.002","3230.5","0.2","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","UImNHCazide","","- C75 H88 N8 U -","- C75 H88 N8 U -","- C150 H176 N16 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0562","0.0465","","","0.0979","0.1017","","","","","","1.141","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557112","25.884","0.005","13.889","0.003","21.315","0.004","90","","110.09","0.03","90","","7197","3","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","UImNHCNPMe3","","- C76 H99 N6 O P U -","- C76 H99 N6 O P U -","- C304 H396 N24 O4 P4 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0422","0.0279","","","0.0618","0.0667","","","","","","1.026","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557113","14.7113","0.0008","12.979","0.0006","36.748","0.0017","90","","94.521","0.002","90","","6994.8","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","UImNHCN","","- C75 H96 N6 U -","- C75 H92 N6 U -","- C300 H368 N24 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0669","0.0526","","","0.1004","0.1046","","","","","","1.228","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557114","13.1812","0.0005","15.8571","0.0006","19.6743","0.0008","110.71","0.002","90.48","0.002","105.002","0.002","3692.6","0.3","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","UImNHCNPhNC","","- C82 H101 N7 O U -","- C82 H101 N7 O U -","- C164 H202 N14 O2 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.043","0.0327","","","0.0863","0.0924","","","","","","1.077","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557115","11.3659","0.0004","11.9259","0.0004","17.9314","0.0006","90","","90","","90","","2430.58","0.14","153","2","153.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 O2 -","- C33 H26 O2 -","- C132 H104 O8 -","4","1","","Liu, Xihong; Zhang, Jingying; Bai, Lutao; Wang, Linqing; Yang, Dongxu; Wang, Rui","Catalytic asymmetric multiple dearomatizations of phenols enabled by a cascade 1,8-addition and Diels‒Alder reaction","Chemical Science","2020","11","3","671","676","10.1039/C9SC05320D","","","1.54178","CuKα","","0.0273","0.0265","","","0.0655","0.0663","","","","","","1.08","","","","has coordinates","257429","2020-10-21","18:00:00",""
"1557116","14.635","0.0007","18.1373","0.0009","22.0161","0.001","79.631","0.004","75.201","0.004","74.12","0.004","5396.2","0.5","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C64 H88 -","- C64 H88 -","- C256 H352 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1246","0.1066","","","0.2653","0.2812","","","","","","1.106","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557117","12.9083","0.0007","14.2464","0.0008","20.148","0.0015","74.898","0.006","79.351","0.005","89.459","0.004","3512.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H39 B F24 N7 Rh -","- C61 H39 B F24 N7 Rh -","- C122 H78 B2 F48 N14 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1176","0.0997","","","0.2466","0.2619","","","","","","1.04","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557118","11.7452","0.0004","16.7896","0.0005","18.5777","0.0007","84.062","0.003","73.668","0.003","70.038","0.003","3304.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H62 B F24 N5 Rh -","- C67 H62 B F24 N5 Rh -","- C134 H124 B2 F48 N10 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0676","0.0561","","","0.1408","0.1481","","","","","","1.036","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557119","10.7497","0.0005","11.175","0.0004","11.5688","0.0003","96.962","0.002","96.945","0.003","116.711","0.004","1207.93","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H16 F8 -","- C32 H16 F8 -","- C64 H32 F16 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0466","0.04","","","0.1068","0.1124","","","","","","1.032","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557120","19.4406","0.0003","17.1714","0.0003","19.516","0.0003","90","","103.079","0.0016","90","","6345.86","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H51 B Cl2 F24 N5 Rh -","- C60 H51 B Cl2 F24 N5 Rh -","- C240 H204 B4 Cl8 F96 N20 Rh4 -","4","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0415","0.0383","","","0.0953","0.0976","","","","","","1.025","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557121","16.95902","0.00018","18.45666","0.00019","34.7576","0.0003","90","","98.7133","0.001","90","","10753.8","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H37 B F24 N5 Rh -","- C54 H37 B F24 N5 Rh -","- C432 H296 B8 F192 N40 Rh8 -","8","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0573","0.0519","","","0.1097","0.1125","","","","","","1.146","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557122","13.01044","0.00008","20.05043","0.00013","26.99316","0.00016","90.7652","0.0005","97.9088","0.0005","106.636","0.0005","6672.31","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H45 B F25 N5 O Rh -","- C68 H45 B F25 N5 O Rh -","- C272 H180 B4 F100 N20 O4 Rh4 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0363","0.0348","","","0.0901","0.0918","","","","","","1.015","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557123","8.6977","0.0004","9.9164","0.0004","20.6241","0.0009","90","","90","","90","","1778.83","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0795","0.0511","","","0.1017","0.114","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557124","15.4799","0.0006","12.7561","0.0005","17.7032","0.0007","90","","110.471","0.001","90","","3275","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br2 O9 -","- C37 H32 Br2 O9 -","- C148 H128 Br8 O36 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0536","0.0334","","","0.0669","0.0726","","","","","","1.008","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557125","11.1979","0.0009","12.5205","0.001","24.904","0.002","90","","93.401","0.002","90","","3485.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C160 H160 O48 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.1373","0.0846","","","0.199","0.226","","","","","","1.066","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557126","11.2987","0.0006","10.6941","0.0006","11.9582","0.0007","90","","90.723","0.001","90","","1444.79","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0334","0.0312","","","0.0772","0.0787","","","","","","1.039","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557127","13.6526","0.0008","9.772","0.0005","24.8831","0.0013","90","","101.015","0.002","90","","3258.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0426","0.0357","","","0.0847","0.0885","","","","","","1.065","","","","has coordinates,has disorder","257302","2020-10-21","18:00:00",""
"1557128","10.1038","0.0007","12.0566","0.0009","10.4153","0.0007","90","","97.827","0.002","90","","1256.95","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C54 H58 N2 O16 -","2","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0651","0.0431","","","0.0848","0.0916","","","","","","1.059","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557129","7.091","0.0004","16.2621","0.0009","13.2704","0.0007","90","","92.494","0.002","90","","1528.82","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","1.54178","CuKα","","0.028","0.0275","","","0.0705","0.0709","","","","","","1.042","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557130","26.9187","0.001","7.6682","0.0003","12.9814","0.0005","90","","108.271","0.003","90","","2544.5","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C108 H116 N4 O32 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0478","0.0375","","","0.0836","0.0876","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557131","6.0431","0.0002","13.3857","0.0004","14.3592","0.0004","90","","90","","90","","1161.53","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H5 D N2 -","- C6 H5 D N2 -","- C48 H40 D8 N16 -","8","1","","Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei","An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines","Chemical Science","2020","11","3","742","747","10.1039/C9SC05627K","","x-ray","1.54184","CuKα","","0.0746","0.0667","","","0.1497","0.1598","","","","","","1.099","","","","has coordinates","257419","2020-10-21","18:00:00",""
"1557132","13.9378","0.0012","13.9378","0.0012","8.2316","0.0008","90","","90","","120","","1384.9","0.2","299","2","298.94","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- In8 Ir1.5 S5.25 -","- In8 Ir1.5 S5.25 -","- In32 Ir6 S21 -","4","0.666667","","Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G.","Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide","Chemical Science","2020","11","3","870","878","10.1039/C9SC05609B","","","0.71073","MoKα","","0.0278","0.0258","","","0.0691","0.0704","","","","","","1.075","","","","has coordinates","257422","2020-10-21","18:00:00",""
"1557138","8.4484","0.0002","22.6578","0.0004","17.8169","0.0003","90","","90.006","0.001","90","","3410.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C152 H240 O24 -","8","4","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0324","0.0322","","","0.0876","0.0882","","","","","","1.055","","","","has coordinates","247156","2020-10-21","18:00:00",""
"1557139","6.8215","0.0006","10.0565","0.0008","24.1425","0.0019","90","","90","","90","","1656.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0371","0.0368","","","0.0986","0.099","","","","","","1.113","","","","has coordinates","247157","2020-10-21","18:00:00",""
"1557140","21.2462","0.0012","8.9711","0.0005","8.8437","0.0005","90","","98.376","0.001","90","","1667.65","0.16","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C76 H120 O8 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0289","0.0284","","","0.0754","0.076","","","","","","1.045","","","","has coordinates","247158","2020-10-21","18:00:00",""
"1557141","13.949","0.003","15.719","0.003","15.272","0.003","90","","107.438","0.013","90","","3194.7","1.1","100","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H50 N2 O4 -","- C68 H50 N2 O4 -","- C136 H100 N4 O8 -","2","1","","Chen, Michelle; Powers-Riggs, Natalia E.; Coleman, Adam F.; Young, Ryan M.; Wasielewski, Michael R.","Singlet Fission in Quaterrylenediimide Thin Films","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10397","","","1.54178","CuKα","","0.1661","0.1205","","","0.3002","0.3549","","","","","","1.052","","","","has coordinates","247170","2020-10-21","18:00:00",""
"1557142","7.5074","0.0004","11.2005","0.0006","11.2581","0.0005","70.42","0.004","78.131","0.004","84.462","0.004","872.46","0.08","100","0.1","99.95","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl N3 O Pd -","- C18 H20 Cl N3 O Pd -","- C36 H40 Cl2 N6 O2 Pd2 -","2","1","","Czyz, Milena L.; Weragoda, Geethika K.; Horngren, Tyra H.; Connell, Timothy U.; Gomez, Daniel; O'Hair, Richard A. J.; Polyzos, Anastasios","Photoexcited Pd(ii) auxiliaries enable light-induced control in C(sp3)‒H bond functionalisation","Chemical Science","2020","11","9","2455","2463","10.1039/C9SC05722F","","x-ray","0.71073","MoKα","","0.0686","0.05","","","0.1073","0.1152","","","","","","1.06","","","","has coordinates","257367","2020-10-21","18:00:00",""
"1557143","14.1914","0.0005","9.0659","0.0003","16.0033","0.0005","90","","101.488","0.002","90","","2017.7","0.12","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N O4 P -","- C23 H24 N O4 P -","- C92 H96 N4 O16 P4 -","4","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0658","0.0473","","","0.1046","0.1147","","","","","","1.037","","","","has coordinates","249051","2020-10-21","18:00:00",""
"1557144","26.8408","0.0013","9.9974","0.0005","17.4578","0.0008","90","","110.506","0.001","90","","4387.8","0.4","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N O4 P -","- C25 H28 N O4 P -","- C200 H224 N8 O32 P8 -","8","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0335","0.033","","","0.0852","0.0856","","","","","","1.048","","","","has coordinates,has disorder","249051","2020-10-21","18:00:00",""
"1557145","9.7414","0.0005","10.2898","0.0005","13.4571","0.0006","110.284","0.001","109.513","0.001","90.732","0.001","1179.9","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N O4 P -","- C28 H26 N O4 P -","- C56 H52 N2 O8 P2 -","2","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0382","0.0377","","","0.1013","0.1017","","","","","","1.074","","","","has coordinates,has disorder","249051","2020-10-21","18:00:00",""
"1557149","12.2782","0.0016","11.9261","0.0015","18.859","0.002","90","","103.754","0.004","90","","2682.4","0.6","150","2","149.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N4 O3 -","- C30 H32 N4 O3 -","- C120 H128 N16 O12 -","4","1","","Wang, Shuo; Ren, Jia-Shu; Shan, Lian-Yun; Sun, Xiao-Yan; Di, Bin; Gu, Ning; Chen, Jin-Long","Triplexed Tracking Labile Sulfur-Containing Species on a Single-Molecule ""Nezha"" Sensor.","Analytical chemistry","2020","","","","","10.1021/acs.analchem.9b04688","","","0.71073","MoKα","","0.1814","0.1049","","","0.2285","0.2638","","","","","","1.11","","","","has coordinates,has disorder","247224","2020-10-21","18:00:00",""
"1557155","26.5998","0.0004","13.18144","0.00015","32.7719","0.0004","90","","104.629","0.0014","90","","11118.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H154 Cl N9 O9 Ti2 -","- C112 H148 Cl N7 O9 Ti2 -","- C448 H592 Cl4 N28 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0836","0.0646","","","0.1595","0.1677","","","","","","1.087","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557156","11.0509","0.0002","9.6943","0.00018","14.8668","0.0003","90","","108.131","0.002","90","","1513.61","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O2 Ti -","- C30 H44 Cl2 O2 Ti -","- C60 H88 Cl4 O4 Ti2 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0297","0.0293","","","0.0762","0.0765","","","","","","1.067","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557157","17.651","0.0002","18.2749","0.0002","19.8507","0.0002","67.4531","0.0011","68.6833","0.0011","73.3966","0.0012","5428.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","1","0.5","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71075","MoKα","","0.0809","0.0744","","","0.2242","0.2307","","","","","","1.036","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557158","17.4371","0.0007","17.7765","0.0004","21.1345","0.0004","100.63","0.002","93.526","0.003","104.426","0.003","6195.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C250 H345 Cl2 N17 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1417","0.0986","","","0.2587","0.2928","","","","","","1.022","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557159","12.5697","0.0002","18.1183","0.0004","27.5282","0.0003","104.559","0.0015","98.781","0.0013","102.093","0.0018","5792.04","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H164 Cl2 N6 O8 Ti2 -","- C115 H152 Cl2 N3.5 O8 Ti2 -","- C230 H304 Cl4 N7 O16 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1083","0.0925","","","0.2464","0.2596","","","","","","1.072","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557160","13.9465","0.0002","17.4744","0.0003","23.5392","0.0002","85.6028","0.0011","74.2347","0.0012","74.5316","0.0014","5320.83","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H140 Cl N7 O9 Ti2 -","- C102.6 H131.9 Cl N4.3 O9 Ti2 -","- C205.2 H263.8 Cl2 N8.6 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0967","0.0936","","","0.2616","0.2645","","","","","","1.093","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557161","16.3253","0.0004","17.3213","0.0003","23.5069","0.0003","102.481","0.002","91.495","0.002","101.593","0.002","6340.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.71 H174.42 Cl N2.85 O11.43 Ti2 -","- C130.704 H173.556 Cl N2.8521 O11.432 Ti2 -","- C261.408 H347.113 Cl2 N5.7042 O22.864 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.1361","0.0718","","","0.1777","0.2075","","","","","","1.021","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557162","26.6007","0.0004","13.18235","0.00014","32.7812","0.0005","90","","104.622","0.0017","90","","11122.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C452 H598 Cl4 N30 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0944","0.0754","","","0.1944","0.2043","","","","","","1.114","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557163","12.14575","0.00013","18.0271","0.0002","21.0909","0.0002","95.2564","0.0009","105.355","0.0009","90.2869","0.0009","4432.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Cl N2 O4 Ti -","- C49 H61 Cl N2 O4 Ti -","- C196 H244 Cl4 N8 O16 Ti4 -","4","2","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0408","0.0386","","","0.1092","0.1107","","","","","","1.068","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557164","43.9803","0.0004","12.41683","0.00017","19.4608","0.0002","90","","94.9954","0.001","90","","10587.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cl2 N2 O4 Ti -","- C54 H72 Cl2 N2 O4 Ti -","- C432 H576 Cl16 N16 O32 Ti8 -","8","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0454","0.0413","","","0.1156","0.1182","","","","","","1.069","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557165","13.9904","0.0007","14.295","0.0008","48.384","0.002","90","","94.664","0.002","90","","9644.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H102 Au4 P2 Ru2 S8 -","- C100 H102 Au4 P2 Ru2 S8 -","- C400 H408 Au16 P8 Ru8 S32 -","4","1","","Sun, Yongnan; Pei, Wei; Xie, Mingcai; Xu, Shun; Zhou, Si; Zhao, Jijun; Xiao, Kang; Zhu, Yan","Excitonic Au4Ru2(PPh3)2(SC2H4Ph)8 cluster for light-driven dinitrogen fixation","Chemical Science","2020","11","9","2440","2447","10.1039/C9SC06424A","","","0.71073","MoKα","","0.0495","0.0433","","","0.1085","0.1112","","","","","","1.13","","","","has coordinates","257373","2020-10-21","18:00:00",""
"1557169","16.4615","0.0013","7.573","0.0006","16.0803","0.0013","90","","111.302","0.001","90","","1867.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","1","","Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté","Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of <i>Monanthotaxis trichocarpa</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00363","","","0.71073","MoKα","","0.0552","0.0412","","","0.0999","0.1098","","","","","","1.027","","","","has coordinates","247317","2020-10-21","18:00:00",""
"1557170","5.933","0.0005","13.4485","0.0011","12.3282","0.001","90","","96.291","0.001","90","","977.74","0.14","123","2","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl O6 -","- C22 H21 Cl O6 -","- C44 H42 Cl2 O12 -","2","1","","Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté","Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of <i>Monanthotaxis trichocarpa</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00363","","","0.71073","MoKα","","0.0483","0.0385","","","0.0808","0.0855","","","","","","1.045","","","","has coordinates,has disorder","247318","2020-10-21","18:00:00",""
"1557171","22.1881","0.0003","11.5778","0.0001","29.7479","0.0004","90","","106.38","0.001","90","","7331.75","0.16","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 F N2 O2 Zn -","- C37 H53 F N2 O2 Zn -","- C296 H424 F8 N16 O16 Zn8 -","8","2","","Jiang, Jinxing; Cui, Yaqin; Lu, Yaguang; Zhang, Bin; Pan, Xiaobo; Wu, Jincai","Weak Lewis Pairs as Catalysts for Highly Isoselective Ring-Opening Polymerization of Epimerically Labile rac-O-Carboxyanhydride of Mandelic Acid","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02302","","","1.54184","CuKα","","0.0473","0.0387","","","0.0996","0.1072","","","","","","1.026","","","","has coordinates","247327","2020-10-21","18:00:00",""
"1557172","15.3766","0.0002","17.6353","0.0003","13.571","0.0003","90","","105.2","0.0018","90","","3551.32","0.11","292.7","0.2","292.7","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 F N2 O2 Zn -","- C36 H51 F N2 O2 Zn -","- C144 H204 F4 N8 O8 Zn4 -","4","1","","Jiang, Jinxing; Cui, Yaqin; Lu, Yaguang; Zhang, Bin; Pan, Xiaobo; Wu, Jincai","Weak Lewis Pairs as Catalysts for Highly Isoselective Ring-Opening Polymerization of Epimerically Labile rac-O-Carboxyanhydride of Mandelic Acid","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02302","","","1.54184","CuKα","","0.0509","0.0448","","","0.1251","0.1329","","","","","","1.031","","","","has coordinates","247328","2020-10-21","18:00:00",""
"1557173","17.31801","0.00012","12.99024","0.0001","19.71788","0.00016","90","","94.4442","0.0007","90","","4422.5","0.06","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54.28 H49.13 Ir O0.28 P3 -","- C54.283 H49.132 Ir O0.283 P3 -","- C217.132 H196.528 Ir4 O1.132 P12 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0237","0.0199","","","0.0458","0.048","","","","","","1.047","","","","has coordinates","254859","2020-10-21","18:00:00",""
"1557174","12.9317","0.0002","16.6","0.0003","25.5365","0.0004","90","","90.2757","0.0013","90","","5481.76","0.16","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H68 Cl2 Ir2 N4 O S2 -","- C57 H68 Cl2 Ir2 N4 O S2 -","- C228 H272 Cl8 Ir8 N16 O4 S8 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0357","0.0299","","","0.0678","0.0712","","","","","","1.036","","","","has coordinates,has disorder","254859","2020-10-21","18:00:00",""
"1557175","8.127","0.007","8.411","0.009","12.536","0.01","105.36","0.04","96.52","0.02","94.77","0.03","815.2","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C16 H21 N3 O4 -","- C16 H21 N3 O4 -","- C32 H42 N6 O8 -","2","1","BT4088","Yoo, Miri; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2020","5","1","x200034","","10.1107/S2414314620000346","","","0.71073","MoKα","","0.0621","0.0488","","","0.1318","0.142","","","","","","1.059","","","","has coordinates,has Fobs","247338","2020-10-21","18:00:00",""
"1557176","13.209","0.007","6.343","0.003","27.08","0.014","90","","103.356","0.008","90","","2207.5","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","","- C25 H22 N2 O2 Se -","- C25 H22 N2 O2 Se -","- C100 H88 N8 O8 Se4 -","4","1","BV4028","Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","IUCrData","2020","5","1","x200078","","10.1107/S2414314620000784","","","0.71073","MoKα","","0.0797","0.0412","","","0.0937","0.1076","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","247339","2020-10-21","18:00:00",""
"1557177","7.484","0.001","8.587","0.001","18.523","0.002","83.782","0.004","81.868","0.004","71.189","0.004","1113","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","1","0.5","WM4120","Giltzau, Niels Ole; Köckerling, Martin","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","IUCrData","2020","5","1","x200023","","10.1107/S2414314620000231","","","0.71073","MoKα","","0.0932","0.0489","","","0.0927","0.1064","","","","","","1.043","","","","has coordinates,has Fobs","247340","2020-10-21","18:00:00",""
"1557178","15.5801","0.0012","8.3414","0.0006","12.1298","0.0008","90","","97.086","0.003","90","","1564.35","0.19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 F O5 -","- C18 H17 F O5 -","- C72 H68 F4 O20 -","4","1","LH4051","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","1","x200071","","10.1107/S2414314620000711","","","0.71073","MoKα","","0.0856","0.0475","","","0.107","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","247341","2020-10-21","18:00:00",""
"1557183","11.7728","0.0011","11.7728","0.0011","17.1159","0.0015","90","","90","","90","","2372.2","0.4","173","","173","","","","","","","","","4","P 41","P 4w","76","","","","- C26 H28 N4 O5 -","- C26 H28 N4 O5 -","- C104 H112 N16 O20 -","4","1","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0275","0.0266","","","0.0691","0.0699","","","","","","1.018","","","","has coordinates","247351","2020-10-21","18:00:00",""
"1557184","8.4194","0.0002","8.5433","0.0002","19.1641","0.0005","90","","90","","90","","1378.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0256","0.0255","","","0.0625","0.0626","","","","","","1.073","","","","has coordinates","247352","2020-10-21","18:00:00",""
"1557185","10.1492","0.0004","10.1392","0.0004","25.2626","0.0011","96.515","0.001","96.515","0.001","107.35","","2435.42","0.17","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 F4 N5 O5 -","- C25 H23 F4 N5 O5 -","- C100 H92 F16 N20 O20 -","4","4","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0361","0.0342","","","0.0853","0.0873","","","","","","1.043","","","","has coordinates","247353","2020-10-21","18:00:00",""
"1557186","5.8178","0.0003","16.9835","0.001","28.2863","0.0017","90","","90","","90","","2794.9","0.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","2","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0395","0.0354","","","0.0814","0.0845","","","","","","1.072","","","","has coordinates","247354","2020-10-21","18:00:00",""
"1557187","6.20271","0.00018","12.9748","0.0004","17.3444","0.0004","90","","96.612","0.002","90","","1386.57","0.07","108","0.14","108","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei","Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00217","","x-ray","1.54184","CuKα","","0.0408","0.0385","","","0.0995","0.1014","","","","","","1.051","","","","has coordinates","247355","2020-10-21","18:00:00",""
"1557188","8.7529","0.0005","5.1376","0.0003","14.4614","0.0008","90","","104.921","0.006","90","","628.39","0.06","106.8","","106.8","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei","Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00217","","","1.5418","CuKα","","0.0326","0.0321","","","0.0862","0.0868","","","","","","1.057","","","","has coordinates","247356","2020-10-21","18:00:00",""
"1557189","10.7749","0.0011","15.2475","0.0015","12.314","0.0013","90","","108.515","0.008","90","","1918.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 F6 N2 O3 -","- C22 H12 F6 N2 O3 -","- C88 H48 F24 N8 O12 -","4","1","","Malla, Javid Ahmad; Umesh, Rintu M.; Vijay, Amal; Mukherjee, Arnab; Lahiri, Mayurika; Talukdar, Pinaki","Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl− channel","Chemical Science","2020","11","9","2420","2428","10.1039/C9SC06520B","","","1.54178","CuKα","","0.2321","0.0866","","","0.186","0.259","","","","","","0.996","","","","has coordinates","257372","2020-10-21","18:00:00",""
"1557193","14.0565","0.0007","5.9201","0.0003","7.8474","0.0004","90","","92.837","0.003","90","","652.23","0.06","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","0.5","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","1.54187","CuKα","","0.1901","0.0958","","","0.2527","0.3442","","","","","","0.905","","","","has coordinates,has disorder","247393","2020-10-21","18:00:00",""
"1557194","13.5349","0.0007","6.0042","0.0003","8.1543","0.0004","90","","94.232","0.004","90","","660.86","0.06","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","0.5","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","0.71073","MoKα","","0.0712","0.0527","","","0.1404","0.155","","","","","","1.08","","","","has coordinates","247394","2020-10-21","18:00:00",""
"1557195","5.9457","0.0003","7.8815","0.0005","14.0822","0.0008","86.684","0.005","87.09","0.005","88.848","0.005","657.85","0.07","296","","296","","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","0.71073","MoKα","","0.1123","0.0583","","","0.1269","0.1522","","","","","","1.054","","","","has coordinates","247395","2020-10-21","18:00:00",""
"1557196","6.087","0.0002","7.5639","0.0003","14.4293","0.0005","97.942","0.002","95.597","0.002","90.921","0.003","654.54","0.04","296","","296","","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","1.54187","CuKα","","0.0602","0.0492","","","0.1129","0.1286","","","","","","1.157","","","","has coordinates","247396","2020-10-21","18:00:00",""
"1557197","15.21","0.005","16.731","0.005","23.716","0.007","90","","104.529","0.006","90","","5842","3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 N6 O13 Zn2 -","- C58 H60 N6 O13 Zn2 -","- C232 H240 N24 O52 Zn8 -","4","1","","Fu, Guorui; He, Yani; Li, Wentao; Miao, Tiezheng; Lü, Xingqiang; He, Hongshan; Liu, Li; Wong, Wai-Yeung","Efficient white polymer light-emitting diodes (WPLEDs) based on covalent-grafting of [Zn2(MP)3(OAc)] into PVK","Chemical Science","2020","11","10","2640","2646","10.1039/C9SC05288G","","","","","","0.218","","","","","","","","","","","","","","","has coordinates","257291","2020-10-21","18:00:00",""
"1557201","5.996","0.0001","12.4304","0.0001","14.2341","0.0002","90","","94.361","0.001","90","","1057.83","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C46 H56 O16 -","2","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0991","0.0971","","","0.2491","0.2545","","","","","","1.099","","","","has coordinates","247416","2020-10-21","18:00:00",""
"1557202","6.3062","0.0001","7.6848","0.0001","9.7183","0.0002","87.904","0.001","80.198","0.001","87.694","0.001","463.505","0.014","99.99","0.11","99.99","0.11","","","","","","","","3","P 1","P 1","1","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C21 H26 O5 -","1","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0283","0.0271","","","0.0699","0.0725","","","","","","1.058","","","","has coordinates","247417","2020-10-21","18:00:00",""
"1557203","8.0315","0.0001","8.3527","0.0002","27.8078","0.0005","90","","90","","90","","1865.48","0.06","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C84 H104 O24 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0371","0.0359","","","0.0938","0.0945","","","","","","1.044","","","","has coordinates","247418","2020-10-21","18:00:00",""
"1557204","7.77753","0.00005","10.89287","0.00006","25.97545","0.00015","90","","90","","90","","2200.63","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O10 -","- C24 H26 O10 -","- C96 H104 O40 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0279","0.0267","","","0.0723","0.0795","","","","","","1.159","","","","has coordinates","247419","2020-10-21","18:00:00",""
"1557205","7.9019","0.0001","10.2955","0.0001","25.9952","0.0004","90","","90","","90","","2114.81","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C92 H112 O32 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0368","0.0353","","","0.0976","0.0988","","","","","","1.106","","","","has coordinates","247420","2020-10-21","18:00:00",""
"1557206","11.012","0.009","16.138","0.013","11.225","0.009","90","","96.899","0.012","90","","1980","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.0813","0.0547","","","0.13","0.1445","","","","","","1.093","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557207","17.03","0.02","10.58","0.01","22.26","0.04","90","","103.23","0.03","90","","3904","9","173","2","173.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H29 N3 O2 -","- C19 H29 N3 O2 -","- C152 H232 N24 O16 -","8","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.1482","0.088","","","0.2275","0.2777","","","","","","1.072","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557208","29.1537","0.0009","8.8739","0.0003","19.9919","0.0006","90","","123.621","0.001","90","","4306.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-Phenylenediammonium bis(p-toluenesulfonate)","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C160 H192 N16 O48 S16 -","8","1","BV4029","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","IUCrData","2020","5","1","x200100","","10.1107/S2414314620001005","","","0.71073","MoKα","","0.0674","0.0399","","","0.1028","0.1263","","","","","","1.074","","","","has coordinates,has Fobs","247444","2020-10-21","18:00:00",""
"1557209","5.5075","0.0003","6.789","0.0003","12.2572","0.0006","90","","90","","90","","458.3","0.04","100","","100","","","","","","","","","3","I m m m","-I 2 2","71","Caesium tetrafluoridobromate(III)","Caesium tetrafluoridobromate(III)","","- Br Cs F4 -","- Br Cs F4 -","- Br4 Cs4 F16 -","4","0.25","WM4121","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data","IUCrData","2020","5","1","x200114","","10.1107/S2414314620001145","","","0.71073","MoKα","","0.0151","0.0119","","","0.0212","0.0217","","","","","","1.119","","","","has coordinates,has Fobs","247896","2020-10-21","18:00:00",""
"1557210","7.0481","0.0003","18.2185","0.0008","12.6391","0.0006","90","","104.947","0.004","90","","1568.02","0.12","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C19 H13 I O2 -","- C19 H13 I O2 -","- C76 H52 I4 O8 -","4","1","HB4334","Dean, Raven; Miller, Chelsea N.; Zingales, Sarah K.; Padgett, Clifford W.","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","1","x200110","","10.1107/S2414314620001108","","","0.71073","MoKα","","0.0863","0.0451","","","0.0819","0.0962","","","","","","1.123","","","","has coordinates,has Fobs","247446","2020-10-21","18:00:00",""
"1557213","16.841","0.002","5.9463","0.0012","21.001","0.004","90","","96.31","0.013","90","","2090.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11180","","","1.54184","CuKα","","0.1752","0.0856","","","0.207","0.2621","","","","","","1.11","","","","has coordinates","247504","2020-10-21","18:00:00",""
"1557214","27.4933","0.0011","27.4933","0.0011","5.8624","0.0002","90","","90","","90","","4431.3","0.3","193","2","193","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C29 H21 N -","- C29 H21 N -","- C232 H168 N8 -","8","1","","Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11180","","","1.34139","GaKα","","0.0676","0.0515","","","0.1395","0.1539","","","","","","1.026","","","","has coordinates","247505","2020-10-21","18:00:00",""
"1557215","5.5332","0.001","11.857","0.002","31.179","0.006","90","","90.172","0.003","90","","2045.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11180","","","0.71073","MoKα","","0.0824","0.05","","","0.1423","0.1664","","","","","","1.025","","","","has coordinates","247506","2020-10-21","18:00:00",""
"1557220","10.331","0.0008","12.6786","0.001","24.3519","0.0019","90","","90","","90","","3189.7","0.4","90","2","90","2","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","MIKURIYA, Masahiro; TANIGUCHI, Kazuki; KOYAMA, Yoshiki; WATANABE, Hiroaki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; ASATO, Eiji","Crystal Structure of S<sub>8</sub> Molecule from Thiourea","X-ray Structure Analysis Online","2020","36","0","1","2","10.2116/xraystruct.36.1","","","0.71073","MoKα","","0.0261","0.022","","","0.0563","0.057","","","","","","1.057","","","","has coordinates","258170","2020-10-21","18:00:00",""
"1557221","32.77108","0.00017","30.00687","0.00016","40.3365","0.0002","90","","96.1279","0.0005","90","","39438.6","0.4","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C398.15 H435.65 B16 Co8 F64 N74.85 O39.35 -","- C361.56 H279.04 B9 Co8 F33 N72 O5.68 -","- C1446.24 H1116.16 B36 Co32 F132 N288 O22.72 -","4","0.5","","Mozaceanu,; Taylor,; Piper,; Argent,; Ward,","Catalysis of an Aldol Condensation Using a Coordination Cage","Chemistry","2020","2","1","22","32","10.3390/chemistry2010004","","","0.6889","Synchrotron","","0.1117","0.0651","","","0.2094","0.2292","","","","","","0.957","","","","has coordinates,has disorder","258178","2020-10-21","18:00:00",""
"1557222","5.6674","0.0005","10.9072","0.0012","14.5876","0.0011","90","","93.491","0.007","90","","900.07","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C40 H24 Cu2 N4 O8 -","2","0.5","","He, Tengjiao; Xiao, Yonghou; Zhao, Qidong; Zhou, Mengxue; He, Gaohong","Ultramicroporous Metal‒Organic Framework Qc-5-Cu for Highly Selective Adsorption of CO2 from C2H4 Stream","Industrial & Engineering Chemistry Research","2020","","","","","10.1021/acs.iecr.9b05665","powder diffraction","neutron","2.0774","","","","","","","","","0.09172","","1","","","","","","","has coordinates","247846","2020-10-21","18:00:00",""
"1557223","10.93","0.0004","14.2927","0.0006","19.2894","0.0008","70.366","0.003","86.491","0.003","73.206","0.003","2715","0.2","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C55.6 H49 Br2 Cl2 Cu F6 N2 O1.9 P3 -","- C52 H40 Br2 Cl2 Cu F6 N2 O P3 -","- C104 H80 Br4 Cl4 Cu2 F12 N4 O2 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0904","0.0858","","","0.2317","0.2384","","","","","","1.059","","","","has coordinates","247847","2020-10-21","18:00:00",""
"1557224","12.4032","0.0009","18.9805","0.0014","22.0591","0.0017","70.33","0.003","77.791","0.003","87.292","0.003","4777.9","0.6","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H36 Br2 Cl2 Cu F6 N2 O P3 -","- C48 H34 Br2 Cu F6 N2 O P3 -","- C192 H136 Br8 Cu4 F24 N8 O4 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.035","0.0327","","","0.0817","0.0834","","","","","","1.008","","","","has coordinates","247848","2020-10-21","18:00:00",""
"1557225","15.1949","0.001","18.5322","0.0012","18.5423","0.0013","107.867","0.002","104.444","0.002","101.088","0.002","4603.2","0.5","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C200 H156 Br8 Cu4 F24 N8 O6 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0389","0.0369","","","0.0952","0.0971","","","","","","1.028","","","","has coordinates","247849","2020-10-21","18:00:00",""
"1557226","10.1768","0.0008","13.7504","0.0011","20.1505","0.0016","90.204","0.002","98.12","0.002","99.535","0.002","2751.9","0.4","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C109.8 H94.4 Br4 Cl4.4 Cu2 F12 N4 O3.4 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0391","0.0382","","","0.1093","0.1101","","","","","","1.073","","","","has coordinates,has disorder","247850","2020-10-21","18:00:00",""
"1557227","33.3182","0.0016","14.105","0.0006","11.8205","0.0005","90","","102.059","0.004","90","","5432.5","0.4","130","","130","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C52.1 H40.2 Br2 Cl2.2 Cu F6 N2 O P3 -","- C51 H38 Br2 Cu F6 N2 O P3 -","- C204 H152 Br8 Cu4 F24 N8 O4 P12 -","4","0.5","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0863","0.0728","","","0.1853","0.1973","","","","","","1.034","","","","has coordinates,has disorder","247851","2020-10-21","18:00:00",""
"1557228","27.571","0.003","19.7599","0.0018","19.1951","0.0018","90","","90","","90","","10457.5","1.8","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C101 H48 F40 N12 Ni O7 -","- C101 H48 F40 N12 Ni O7 -","- C404 H192 F160 N48 Ni4 O28 -","4","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.0953","0.0551","","","0.1074","0.1184","","","","","","1.005","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557229","47.886","0.003","13.8742","0.0013","28.061","0.003","90","","119.602","0.002","90","","16210","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C716 H152 Cl8 Cu8 F320 N64 Ni8 O24 -","8","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2124","0.0782","","","0.1032","0.1598","","","","","","0.863","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557230","11.6188","0.0016","14.403","0.0011","26.7956","0.0017","82.937","0.006","77.65","0.008","70.954","0.009","4133.7","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H22 F40 N8 O3 -","- C89 H22 F40 N8 O3 -","- C178 H44 F80 N16 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2486","0.1453","","","0.2787","0.3435","","","","","","1.019","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557231","14.057","0.002","14.08","0.002","24.646","0.004","92.257","0.003","101.581","0.002","108.23","0.002","4511.4","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H32 F40 N12 Ni O3 -","- C97 H32 F40 N12 Ni O3 -","- C194 H64 F80 N24 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.102","0.0744","","","0.2149","0.2485","","","","","","1.05","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557232","14.0363","0.0012","14.1385","0.0015","24.8547","0.0018","91.904","0.001","101.174","0.002","107.743","0.002","4586.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H18 Cu F40 N8 Ni O3 -","- C89 H18 Cu F40 N8 Ni O3 -","- C178 H36 Cu2 F80 N16 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.1813","0.089","","","0.2021","0.2477","","","","","","0.92","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557233","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi,; Zaccarini,; Ifandi,; Tsikouras,; Stanley,; Garuti,; Mauro,","Grammatikopoulosite, NiVP, a New Phosphide from the Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","2","131","","10.3390/min10020131","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","247874","2020-10-21","18:00:00",""
"1557234","10.4398","0.0008","18.5854","0.0015","16.9617","0.0014","90","","94.354","0.003","90","","3281.5","0.5","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C122 H180 Au4 Cl4 F24 N4 P4 Sb4 -","2","0.5","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0338","0.0257","","","0.0681","0.0718","","","","","","1.028","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557235","10.9121","0.0011","17.7644","0.0018","19.509","0.002","90","","104.904","0.003","90","","3654.5","0.6","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Au Cl2 F6 N O P Sb -","- C34 H50 Au Cl2 F6 N O P Sb -","- C136 H200 Au4 Cl8 F24 N4 O4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0392","0.0302","","","0.0736","0.079","","","","","","1.046","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557236","14.8546","0.0012","12.2517","0.0009","20.5946","0.0016","90","","99.848","0.003","90","","3692.9","0.5","193","2","193","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C132 H192 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","2","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0197","0.0192","","","0.0475","0.0478","","","","","","1.053","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557237","15.4212","0.0012","13.4652","0.0008","9.4134","0.0007","90","","102.515","0.004","90","","1908.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.143","0.0611","","","0.1452","0.1833","","","","","","1.053","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557238","10.0221","0.0004","13.3021","0.0005","14.7578","0.0006","90","","95.633","0.002","90","","1957.94","0.13","193","2","193","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C58 H72 Au2 B20 Cl4 F12 P4 Sb2 -","2","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","x-ray","1.54178","CuKα","","0.0325","0.0308","","","0.0755","0.0767","","","","","","1.036","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557239","10.7728","0.0007","11.143","0.0009","30.591","0.002","90","","98.974","0.005","90","","3627.2","0.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Au F6 N2 O2 P Sb -","- C38 H47 Au F6 N2 O2 P Sb -","- C152 H188 Au4 F24 N8 O8 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0529","0.0429","","","0.1024","0.1076","","","","","","1.079","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557240","20.9331","0.0009","6.0827","0.0003","15.253","0.0011","90","","132.9","0.001","90","","1422.72","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Br4 Se -","- C10 H16 Br4 Se -","- C40 H64 Br16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0216","0.0183","","","0.0395","0.0405","","","","","","1.103","","","","has coordinates","247876","2020-10-21","18:00:00",""
"1557241","20.6655","0.0016","6.0655","0.0005","14.7555","0.0019","90","","133.69","0.002","90","","1337.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl4 Se -","- C10 H16 Cl4 Se -","- C40 H64 Cl16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0274","0.0266","","","0.0633","0.0637","","","","","","1.138","","","","has coordinates","247877","2020-10-21","18:00:00",""
"1557242","9.1273","0.0002","12.0439","0.0002","12.0526","0.0002","62.4993","0.0008","75.9211","0.001","79.9212","0.0009","1136.88","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Co N2 O7 S -","- C23 H19 Co N2 O7 S -","- C46 H38 Co2 N4 O14 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.033","0.0293","","","0.0787","0.0815","","","","","","1.038","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557243","9.2206","0.0008","11.0642","0.001","13.345","0.0012","96.611","0.005","109.696","0.005","103.697","0.005","1216.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H22 Co N2 O8 S -","- C23.5 H21.5 Co N2 O8 S -","- C47 H43 Co2 N4 O16 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.0946","0.0573","","","0.1348","0.1531","","","","","","1.024","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557252","9.0627","0.0006","10.7595","0.0008","24.4636","0.0019","90","","100.599","0.003","90","","2344.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","","- C29 H23 Cl N2 O -","- C29 H23 Cl N2 O -","- C116 H92 Cl4 N8 O4 -","4","1","ZL4037","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","IUCrData","2020","5","1","x191690","","10.1107/S2414314619016900","","","0.71073","MoKα","","0.0699","0.047","","","0.1087","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","247886","2020-10-21","18:00:00",""
"1557253","28.768","0.009","11.456","0.004","18.185","0.006","90","","90","","90","","5993","3","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Am Br3 O3 P3 -","- C54 H99 Am Br3 O3 P3 -","- C216 H396 Am4 Br12 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0606","0.0399","","","0.0787","0.0858","","","","","","1.081","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557254","28.7058","0.001","11.4228","0.0004","18.1359","0.0007","90","","90","","90","","5946.8","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Nd O3 P3 -","- C54 H99 Br3 Nd O3 P3 -","- C216 H396 Br12 Nd4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0608","0.0405","","","0.068","0.0777","","","","","","1.037","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557255","28.92","0.005","11.434","0.002","18.209","0.003","90","","90","","90","","6021.2","1.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Ce O3 P3 -","- C54 H99 Br3 Ce O3 P3 -","- C216 H396 Br12 Ce4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0499","0.0353","","","0.0663","0.0726","","","","","","1.057","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557256","28.879","0.0016","11.4223","0.0007","18.2083","0.001","90","","90","","90","","6006.3","0.6","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 La O3 P3 -","- C54 H99 Br3 La O3 P3 -","- C216 H396 Br12 La4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.051","0.0348","","","0.0566","0.062","","","","","","1.093","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557257","28.7155","0.0012","11.4126","0.0004","18.1299","0.0008","90","","90","","90","","5941.5","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 O3 P3 Pr -","- C54 H99 Br3 O3 P3 Pr -","- C216 H396 Br12 O12 P12 Pr4 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0481","0.0317","","","0.0556","0.0617","","","","","","1.055","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557262","6.512","0.0002","15.336","0.0003","8.7541","0.0002","90","","111.502","0.003","90","","813.41","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 F O2 -","- C21 H21 F O2 -","- C42 H42 F2 O4 -","2","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0283","0.0283","","","0.0735","0.0735","","","","","","1.09","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557263","9.5439","0.0002","10.5734","0.0002","17.3218","0.0003","90","","90","","90","","1747.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0511","0.0499","","","0.1346","0.1384","","","","","","1.132","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557264","8.8341","0.0004","24.3932","0.0009","11.6111","0.0005","90","","108.086","0.002","90","","2378.47","0.17","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","","- C14 H27 F6 N O11 S2 -","- C14 H27 F6 N O11 S2 -","- C56 H108 F24 N4 O44 S8 -","4","2","IS4042","Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","IUCrData","2020","5","2","x200162","","10.1107/S2414314620001625","","","0.71073","MoKα","","0.064","0.0624","","","0.161","0.162","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","247947","2020-10-21","18:00:00",""
"1557268","9.6678","0.0005","12.9865","0.0006","14.6942","0.0007","64.386","0.005","71.962","0.004","85.754","0.004","1577.95","0.16","110.5","0.6","110.5","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N5 O6 -","- C33 H30 Cl2 N5 O6 -","- C66 H60 Cl4 N10 O12 -","2","1","","Martin, Flavia; Pop, Mihaela; Kacso, Irina; Grosu, Ioana Georgeta; Miclaus, Maria; Vodnar, Dan; Lung, Ildiko; Filip, Gabriela Adriana; Olteanu, Elena Diana; Moldovan, Remus; Nagy, Andras; Filip, Xenia; Baldea, Ioana","Ketoconazole - p-aminobenzoic acid cocrystal: revival of an old drug by crystal engineering.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.9b01178","","","1.54184","CuKα","","0.0626","0.0576","","","0.1411","0.1448","","","","","","1.065","","","","has coordinates,has disorder","247963","2020-10-21","18:00:00",""
"1557269","9.7532","0.0004","13.0997","0.0006","14.7094","0.0007","65.035","0.005","72.196","0.004","84.857","0.004","1620.45","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N5 O6 -","- C33 H30 Cl2 N5 O6 -","- C66 H60 Cl4 N10 O12 -","2","1","","Martin, Flavia; Pop, Mihaela; Kacso, Irina; Grosu, Ioana Georgeta; Miclaus, Maria; Vodnar, Dan; Lung, Ildiko; Filip, Gabriela Adriana; Olteanu, Elena Diana; Moldovan, Remus; Nagy, Andras; Filip, Xenia; Baldea, Ioana","Ketoconazole - p-aminobenzoic acid cocrystal: revival of an old drug by crystal engineering.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.9b01178","","","1.5418","CuKα","","0.0921","0.0712","","","0.2319","0.2489","","","","","","1.636","","","","has coordinates,has disorder","247964","2020-10-21","18:00:00",""
"1557270","16.5582","0.0003","8.7009","0.0001","16.729","0.0003","90","","111.858","0.002","90","","2236.9","0.07","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 Cl2 Co N3 O3 P -","- C17 H30 Cl2 Co N3 O3 P -","- C68 H120 Cl8 Co4 N12 O12 P4 -","4","1","","Xu, Yuechao; Zhao, Junyi; Gan, Qiao; Ying, Weilun; Hu, Zhonghan; Tang, Fuming; Luo, Wanwei; Luo, Yunjie; Jian, Zhongbao; Gong, Dirong","Synthesis and properties investigation of hydroxyl functionalized polyisoprene prepared by cobalt catalyzed co-polymerization of isoprene and hydroxylmyrcene","Polymer Chemistry","2020","11","12","2034","2043","10.1039/C9PY01808E","","x-ray","1.54184","CuKα","","0.0438","0.0354","","","0.0853","0.0881","","","","","","1.058","","","","has coordinates","257954","2020-10-21","18:00:00",""
"1557271","13.959","0.001","25.347","0.002","18.606","0.002","90","","109.574","0.002","90","","6202.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H154 N18 O27 -","- C108 H154 N18 O27 -","- C216 H308 N36 O54 -","2","1","","Zhou, Bin; Shetye, Gauri; Yu, Yang; Santarsiero, Bernard D.; Klein, Larry L.; Abad-Zapatero, Cele; Wolf, Nina M.; Cheng, Jinhua; Jin, Yingyu; Lee, Hanki; Suh, Joo-Won; Lee, Hyun; Bisson, Jonathan; McAlpine, James B.; Chen, Shao-Nong; Cho, Sang-Hyun; Franzblau, Scott G.; Pauli, Guido F.","Antimycobacterial Rufomycin Analogues from <i>Streptomyces atratus</i> Strain MJM3502.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01095","","","0.68877","synchrotron","","0.1246","0.1163","","","0.3449","0.3632","","","","","","1.634","","","","has coordinates,has disorder","247985","2020-10-21","18:00:00",""
"1557272","8.505","0.0003","9.1711","0.0004","10.7701","0.0004","100.159","0.001","99.818","0.001","90.932","0.001","813.86","0.05","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C35 H40 O12 -","- C35 H40 O12 -","- C35 H40 O12 -","1","1","","Fu, Yifan; Zhao, Weimin","Polyesterified Sesquiterpenoids from the Seeds of <i>Celastrus paniculatus</i> as Lifespan-Extending Agents for the Nematode <i>Caenorhabditis elegans</i>.","Journal of natural products","2020","83","2","505","515","10.1021/acs.jnatprod.9b01199","","","1.54178","CuKα","","0.0409","0.0407","","","0.1084","0.1087","","","","","","1.064","","","","has coordinates","248714","2020-10-21","18:00:00",""
"1557278","12.3206","0.0004","27.4776","0.0009","17.5732","0.0006","90","","104.527","0.0014","90","","5759","0.3","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 D3 Eu N2 O6 -","- C55 H68 D3 Eu N2 O6 -","- C220 H272 D12 Eu4 N8 O24 -","4","1","","Fishman, Natalya N.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Edeleva, Mariya V.; Fokin, Sergey V.; Romanenko, Galina V.; Ovcharenko, Victor I.","Multifrequency NMR as an Efficient Tool to Investigate Heterospin Complexes in Solutions.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11104","","","1.54178","CuKα","","0.0557","0.0495","","","0.1331","0.139","","","","","","1.057","","","","has coordinates","248011","2020-10-21","18:00:00",""
"1557279","16.4862","0.0008","10.4198","0.0005","18.1346","0.0009","90","","111.576","0.006","90","","2896.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Dy N9 O9 -","- C24 H20 Dy N9 O9 -","- C96 H80 Dy4 N36 O36 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","x-ray","0.71073","MoKα","","0.1169","0.0692","","","0.166","0.2035","","","","","","1.019","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557280","12.249","0.005","10.064","0.004","26.264","0.011","90","","90.684","0.009","90","","3237","2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Dy N10 O6 S -","- C27 H29 Dy N10 O6 S -","- C108 H116 Dy4 N40 O24 S4 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","","0.71073","MoKα","","0.1807","0.0699","","","0.1479","0.1972","","","","","","0.979","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557281","16.8934","0.0008","10.4286","0.0004","17.9567","0.001","90","","110.828","0.006","90","","2956.8","0.3","298.94","0.1","298.94","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16.5 Eu N9 O9 -","- C24 H16.5 Eu N9 O9 -","- C96 H66 Eu4 N36 O36 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","x-ray","0.71073","MoKα","","0.0753","0.0554","","","0.1521","0.1653","","","","","","1.042","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557282","16.6874","0.0006","10.4401","0.0003","18.036","0.0008","90","","111.134","0.005","90","","2930.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N9 O9 Tb -","- C24 H21 N9 O9 Tb -","- C96 H84 N36 O36 Tb4 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","x-ray","0.71073","MoKα","","0.0781","0.0484","","","0.1154","0.1355","","","","","","1.024","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557283","6.6601","0.0004","7.4588","0.0004","23.5097","0.0015","94.931","0.005","90.774","0.005","105.499","0.005","1120.43","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O3 -","- C25 H30 N4 O3 -","- C50 H60 N8 O6 -","2","1","","Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong","In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe","Chemical Science","2020","11","12","3152","3163","10.1039/C9SC06226B","","x-ray","1.54184","CuKα","","0.0532","0.0394","","","0.0926","0.0981","","","","","","1.008","","","","has coordinates","257414","2020-10-21","18:00:00",""
"1557284","24.8686","0.0019","23.1581","0.0019","17.7369","0.0015","90","","98.907","0.003","90","","10091.7","1.4","299","2","299.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Mn4 N12 O52 Si W12 -","- C60 H44 Mn4 N12 O52 Si W12 -","- C240 H176 Mn16 N48 O208 Si4 W48 -","4","0.5","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0932","0.0548","","","0.1144","0.1432","","","","","","1.163","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557285","13.034","0.0006","15.6737","0.0006","20.2719","0.0009","79.875","0.002","88.908","0.002","87.011","0.002","4071.1","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 Mo12 N11 O49 P -","- C49 H39 Mn3 Mo12 N11 O49 P -","- C98 H78 Mn6 Mo24 N22 O98 P2 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0955","0.0481","","","0.0871","0.107","","","","","","1.031","","","","has coordinates","257404","2020-10-21","18:00:00",""
"1557286","13.0328","0.0005","15.6142","0.0005","20.1424","0.0007","79.88","0.001","89.029","0.002","86.775","0.002","4028.6","0.2","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 N11 O49 P W12 -","- C49 H39 Mn3 N11 O49 P W12 -","- C98 H78 Mn6 N22 O98 P2 W24 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0572","0.0395","","","0.0919","0.1033","","","","","","1.041","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557287","9.0919","0.0005","9.9836","0.0005","11.7719","0.0005","90","","95.822","0.005","90","","1063.02","0.09","296.6","0.3","296.6","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0573","0.0549","","","0.1433","0.1472","","","","","","1.042","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557288","9.6576","0.0005","13.2796","0.0009","17.3578","0.001","90","","99.745","0.005","90","","2194","0.2","295.4","0.4","295.4","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0752","0.0608","","","0.1748","0.194","","","","","","1.044","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557289","7.8691","0.0009","9.8641","0.0008","13.184","0.0009","87.285","0.006","85.531","0.008","74.852","0.009","984.41","0.16","225","100","225","100","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O3 -","- C25 H21 N2 O3 -","- C50 H42 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0877","0.0793","","","0.2132","0.2314","","","","","","1.04","","","","has coordinates,has disorder","257408","2020-10-21","18:00:00",""
"1557290","11.2724","0.0005","6.279","0.0004","12.5272","0.0007","90","","90","","90","","886.67","0.08","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chlorotetrazine","","- C2 H Cl N4 -","- C2 H Cl N4 -","- C16 H8 Cl8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0768","0.0772","","","","","","1.096","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557291","10.7358","0.0003","5.14454","0.00012","14.9437","0.0004","90","","105.056","0.003","90","","797.02","0.04","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenoxy-s-tetrazine","","- C8 H6 N4 O -","- C8 H6 N4 O -","- C32 H24 N16 O4 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0445","0.0345","","","0.0801","0.0868","","","","","","1.048","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557292","38.7645","0.0003","11.93147","0.00014","7.70847","0.00008","90","","90","","90","","3565.3","0.06","160","2","160","2","","","","","","","","3","F d d 2","F 2 -2d","43","","1-(S-tetrazin-3-yl)-1H-indole","","- C10 H7 N5 -","- C10 H7 N5 -","- C160 H112 N80 -","16","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.023","0.0228","","","0.0607","0.0608","","","","","","1.072","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557293","17.7417","0.0003","6.22991","0.00009","23.2377","0.0003","90","","93.9389","0.0013","90","","2562.38","0.07","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-((3-nitropyridin-2-yl)disulfaneyl)ethyl)-1,2,4,5-tetrazin-3-amine","","- C9 H9 N7 O2 S2 -","- C9 H9 N7 O2 S2 -","- C72 H72 N56 O16 S16 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0309","0.0266","","","0.0674","0.0704","","","","","","1.06","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557294","12.7468","0.0005","5.60166","0.00019","12.9507","0.0004","90","","90","","90","","924.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-bromotetrazine","","- C2 H Br N4 -","- C2 H Br N4 -","- C16 H8 Br8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.0512","0.0516","","","","","","1.101","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557295","32.663","0.002","5.161","0.0002","11.0162","0.0006","90","","94.704","0.005","90","","1850.79","0.17","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","Boc-Tyr(Tet)-OMe","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0664","0.0541","","","0.1433","0.1556","","","","","","1.039","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557296","9.6414","0.0005","13.3432","0.0007","19.6279","0.001","90","","95.4683","0.0019","90","","2513.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","germa-aluminocene","","- C22 H39 Al Ge Si2 -","- C22 H39 Al Ge Si2 -","- C88 H156 Al4 Ge4 Si8 -","4","1","","Albers, Lena; Tholen, Patrik; Schmidtmann, Marc; Müller, Thomas","A germaaluminocene","Chemical Science","2020","11","11","2982","2986","10.1039/D0SC00401D","","","0.71073","MoKα","","0.0336","0.0284","","","0.0792","0.0825","","","","","","1.092","","","","has coordinates,has disorder","257403","2020-10-21","18:00:00",""
"1557297","11.2231","0.0013","8.1552","0.0009","11.9835","0.0014","90","","115.45","0.005","90","","990.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C46 H38 N6 O10 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G.","Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones.","Organic & biomolecular chemistry","2020","18","9","1794","1799","10.1039/d0ob00007h","","","1.54178","CuKα","","0.0421","0.0368","","","0.0889","0.0954","","","","","","1.071","","","","has coordinates","257911","2020-10-21","18:00:00",""
"1557298","7.7012","0.0002","7.7746","0.0002","12.6751","0.0004","90","","90","","90","","758.91","0.04","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0287","0.0283","","","0.0804","0.081","","","","","","1.046","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557299","6.0826","0.0012","6.0826","0.0012","8.792","0.002","90","","90","","90","","325.29","0.12","298","2","298","2","","","","","","","","3","I -4","I -4","82","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0354","0.0297","","","0.0801","0.0836","","","","","","1.024","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557300","5.6107","0.0001","9.1858","0.0002","12.5998","0.0003","90","","90","","90","","649.38","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O5 -","- C5 H10 O5 -","- C20 H40 O20 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0308","0.0302","","","0.1027","0.1031","","","","","","0.994","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557301","8.091","0.002","9.212","0.002","10.056","0.002","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0714","0.0656","","","0.1799","0.1864","","","","","","1.327","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","248070","2020-10-21","18:00:00",""
"1557303","9.1617","0.0009","19.233","0.003","13.0065","0.0013","90","","91.136","0.008","90","","2291.4","0.5","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium tetramagnesium pentakis(carbonate) decahydrate","","- C5 H20 Cs2 Mg4 O25 -","- C5 H20 Cs2 Mg4 O25 -","- C20 H80 Cs8 Mg16 O100 -","4","1","WM4122","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs2Mg4(CO3)5·10H2O","IUCrData","2020","5","2","","","10.1107/S2414314620001650","","","0.71073","MoKα","","0.0895","0.0731","","","0.2175","0.2742","","","","","","1.221","","","","has coordinates,has Fobs","248071","2020-10-21","18:00:00",""
"1557304","4.1658","0.0002","10.4706","0.0006","12.7624","0.0007","90","","95.958","0.002","90","","553.67","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","BV4026","Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","IUCrData","2020","5","2","x200171","","10.1107/S2414314620001716","","","0.71073","MoKα","","0.0492","0.0409","","","0.0949","0.1002","","","","","","1.06","","","","has coordinates,has Fobs","248072","2020-10-21","18:00:00",""
"1557305","11.076","0.002","11.076","0.002","16.478","0.003","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","IS4040","Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","IUCrData","2020","5","2","x200143","","10.1107/S2414314620001431","","","0.71073","MoKα","","0.0828","0.0328","","","0.0685","0.0834","","","","","","0.886","","","","has coordinates,has Fobs","248073","2020-10-21","18:00:00",""
"1557306","5.5457","0.0006","9.1108","0.001","43.511","0.006","90","","90.376","0.005","90","","2198.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Octadecylsulfanyl)-1,3-thiazole","","- C21 H39 N S2 -","- C21 H39 N S2 -","- C84 H156 N4 S8 -","4","2","BV4027","Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2-(Octadecylsulfanyl)-1,3-thiazole","IUCrData","2020","5","2","x200170","","10.1107/S2414314620001704","","","1.54178","CuKα","","0.1015","0.0967","","","0.2546","0.263","","","","","","1.048","","","","has coordinates,has Fobs","248074","2020-10-21","18:00:00",""
"1557311","18.071","0.0004","9.5329","0.0002","17.7642","0.0005","90","","99.613","0.003","90","","3017.25","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl5 O2 -","- C12 H13 Cl5 O2 -","- C96 H104 Cl40 O16 -","8","2","","Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan","Sigillins from Springtails Are Potent Natural Insecticides.","Journal of natural products","2020","83","2","468","472","10.1021/acs.jnatprod.9b01013","","","0.71073","MoKα","","0.0433","0.0348","","","0.0729","0.0763","","","","","","1.06","","","","has coordinates","248713","2020-10-21","18:00:00",""
"1557312","8.98338","0.00013","8.98338","0.00013","20.8299","0.0007","90","","90","","90","","1681","0.07","100","2","100","2","","","","","","","","4","P 41","P 4w","76","Sigillin F","","","- C12 H14 Cl6 O5 -","- C12 H14 Cl6 O5 -","- C48 H56 Cl24 O20 -","4","1","","Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan","Sigillins from Springtails Are Potent Natural Insecticides.","Journal of natural products","2020","83","2","468","472","10.1021/acs.jnatprod.9b01013","","","1.54184","CuKα","","0.0247","0.0227","","","0.0509","0.052","","","","","","1.064","","","","has coordinates","248713","2020-10-21","18:00:00",""
"1557313","10.5518","0.0003","16.1297","0.0005","17.0893","0.0005","90","","90","","90","","2908.55","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang","Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02056","","","1.54178","CuKα","","0.0305","0.0302","","","0.0784","0.0787","","","","","","1.07","","","","has coordinates","248138","2020-10-21","18:00:00",""
"1557314","9.4737","0.0002","15.6173","0.0003","18.4421","0.0004","90","","90","","90","","2728.58","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang","Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02056","","","1.54178","CuKα","","0.0291","0.0291","","","0.0754","0.0754","","","","","","1.07","","","","has coordinates","248139","2020-10-21","18:00:00",""
"1557315","11.9451","0.0005","11.9286","0.0004","16.2807","0.0007","90","","101.179","0.004","90","","2275.79","0.16","223","2","223","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C6 H12 F N0.5 Na0.5 O5 S2.5 -","- C6 H12 F N0.5 Na0.5 O5 S2.5 -","- C48 H96 F8 N4 Na4 O40 S20 -","8","1","","Okamoto, Yukihiro; Tsuzuki, Seiji; Tatara, Ryoichi; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","High Transference Number of Na Ion in Liquid-State Sulfolane Solvates of Sodium Bis(fluorosulfonyl)amide","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11458","","","0.71073","MoKα","","0.0427","0.0392","","","0.1097","0.1128","","","","","","1.084","","","","has coordinates","248142","2020-10-21","18:00:00",""
"1557320","9.6598","0.0004","7.4249","0.0003","11.2457","0.0006","90","","109.745","0.005","90","","759.15","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Nitro-2,3-bis(thien-2-yl)quinoxaline","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C32 H18 N6 O4 S4 -","2","1","FF4033","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200196","","10.1107/S2414314620001960","","","0.71073","MoKα","","0.0777","0.0377","","","0.0696","0.0764","","","","","","0.807","","","","has coordinates","248211","2020-10-21","18:00:00",""
"1557321","11.7649","0.0004","5.3386","0.0002","24.3536","0.0008","90","","105.61","0.003","90","","1473.18","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Nitro-2,3-bis(thien-2-yl)quinoxaline","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C64 H36 N12 O8 S8 -","4","1","FF4034","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200203","","10.1107/S2414314620002035","","","0.71073","MoKα","","0.0994","0.0624","","","0.1848","0.1988","","","","","","1.06","","","","has coordinates,has Fobs","248212","2020-10-21","18:00:00",""
"1557327","8.4484","0.0007","4.8581","0.0004","18.7404","0.0015","90","","94.79","0.008","90","","766.48","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","0.5","","Smellie, Iain A.; Abdelhamid, Yusra; Carpenter-Warren, Cameron L.; Cordes, David B.; Elliott, Clement; Lamorte, Sarah; Patterson, Iain L. J.; Sanders, William; Sandison, Iain P.; Slawin, Alexandra M. Z.; Stewart, Dominic M.; Walters, Samuel N.","A Simplified Extractive Metallurgy Exercise to Demonstrate Selective Extraction of Copper","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.9b00996","","x-ray","0.71075","MoKα","","0.0438","0.0317","","","0.079","0.0843","","","","","","1.011","","","","has coordinates","248240","2020-10-21","18:00:00",""
"1557328","6.9821","0.0002","8.6527","0.0003","11.9259","0.0003","90","","105.761","0.001","90","","693.4","0.04","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony","Total Synthesis of (+)-Oxo-tomaymycin","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00009","","","0.71073","MoKα","","0.0372","0.0349","","","0.1016","0.1044","","","","","","1.061","","","","has coordinates","248246","2020-10-21","18:00:00",""
"1557329","10.6552","0.001","12.4511","0.0012","14.8269","0.0016","100.087","0.004","96.082","0.004","90.524","0.004","1925","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","1:1 rac-LA:L7AlOBn","","","- C37 H40 Al Cl2 N4 O5 -","- C37 H39.076 Al Cl2 N4 O5 -","- C74 H78.152 Al2 Cl4 N8 O10 -","2","1","","Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B.","Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00092","","","0.71073","MoKα","","0.079","0.0591","","","0.15","0.1614","","","","","","1.044","","","","has coordinates,has disorder","248264","2020-10-21","18:00:00",""
"1557330","12.393","0.002","20.309","0.004","11.565","0.002","90","","104.827","0.005","90","","2813.9","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H33 Al N4 O -","- C33.5 H33 Al N4 O -","- C134 H132 Al4 N16 O4 -","4","1","","Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B.","Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00092","","","0.71073","MoKα","","0.0765","0.0443","","","0.0931","0.1059","","","","","","1.019","","","","has coordinates,has disorder","248265","2020-10-21","18:00:00",""
"1557331","11.5721","0.0004","16.6408","0.0005","26.1539","0.0008","84.725","0.001","81.758","0.001","89.936","0.001","4962.9","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","rctt-2","","","- C203.82 H244.63 Cl7.63 N0 O40 -","- C203.778 H247.556 Cl7.556 O40 -","- C203.778 H247.556 Cl7.556 O40 -","1","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0916","0.0698","","","0.1901","0.2105","","","","","","1.037","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557332","14.334","0.002","15.534","0.002","16.891","0.002","69.752","0.004","70.947","0.004","76.995","0.003","3308.6","0.7","113","2","113","2","","","","","","","","4","P 1","P 1","1","rcct-3","","","- C112.95 H130.95 Cl15.56 O28 -","- C112.956 H130.956 Cl15.578 O28 -","- C112.956 H130.956 Cl15.578 O28 -","1","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.141","0.1284","","","0.3328","0.3532","","","","","","1.636","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557333","19.6983","0.0014","20.2034","0.0014","26.3162","0.0018","90","","97.77","0.002","90","","10377","1.3","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rctt-2[Ox1]","","","- C106 H124 Cl6 O20 -","- C102.327 H119.327 Cl6.981 O20.243 -","- C409.308 H477.308 Cl27.924 O80.972 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.710747","MoKα","","0.1573","0.1192","","","0.3589","0.3975","","","","","","1.517","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557334","21.532","0.003","19.643","0.003","25.299","0.004","90","","90.699","0.004","90","","10699","3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rccc-2[Ox2]","","","- C108.36 H122.64 Cl2.26 O20 -","- C107.593 H121.799 Cl2.241 O20 -","- C430.372 H487.196 Cl8.964 O80 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.1886","0.1723","","","0.5178","0.5261","","","","","","2.407","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557335","14.4911","0.0011","17.0462","0.0012","27.359","0.002","72.867","0.002","86.978","0.002","77.872","0.002","6313.8","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","rctt-3[Ox1]","","","- C116.82 H140.82 Cl8.45 O28 -","- C116.724 H141.724 Cl8.172 O28 -","- C233.448 H283.448 Cl16.344 O56 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2175","0.1822","","","0.5018","0.5335","","","","","","2.209","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557336","13.0381","0.0003","16.6752","0.0004","17.4483","0.0004","61.711","0.001","79.037","0.001","74.295","0.001","3207.14","0.13","113","2","213","2","","","","","","","","3","P -1","-P 1","2","rctt-4","","","- C76 H74 O11 -","- C77 H76 O10 -","- C154 H152 O20 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0986","0.0666","","","0.1778","0.204","","","","","","1.034","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557337","21.154","0.005","19.669","0.005","25.429","0.007","90","","90.27","0.008","90","","10580","5","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rccc-2","","","- C226.36 H257.54 O43.98 -","- C226.412 H257.64 O43.98 -","- C452.824 H515.28 O87.96 -","2","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2832","0.2119","","","0.5429","0.5675","","","","","","2.195","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557338","13.2696","0.0005","15.8873","0.0006","18.2435","0.0007","90","","93.3","0.002","90","","3839.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 B Eu N5 O17 -","- C31 H49 B Eu N5 O15 -","- C124 H196 B4 Eu4 N20 O60 -","4","1","","Breen, Colum; Pal, Robert; Elsegood, Mark R. J.; Teat, Simon J.; Iza, Felipe; Wende, Kristian; Buckley, Benjamin R.; Butler, Stephen J.","Time-resolved luminescence detection of peroxynitrite using a reactivity-based lanthanide probe","Chemical Science","2020","11","12","3164","3170","10.1039/C9SC06053G","","","0.7288","synchrotron","","0.0314","0.0267","","","0.0661","0.0694","","","","","","1.029","","","","has coordinates,has disorder","257417","2020-10-21","18:00:00",""
"1557341","8.5161","0.0005","10.575","0.0006","15.9557","0.0009","90","","90","","90","","1436.93","0.14","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl0 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Lin, Qianchi; Hu, Bowen; Xu, Xi; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-dioxide/Mg(OTf)2 complex-catalyzed asymmetric [2,3]-rearrangement of in situ generated ammonium salts","Chemical Science","2020","11","11","3068","3073","10.1039/C9SC06342K","","","1.54178","CuKα","","0.0314","0.0313","","","0.0922","0.0922","","","","","","1.024","","","","has coordinates","257407","2020-10-21","18:00:00",""
"1557342","6.5602","0.0004","14.7939","0.0009","14.8216","0.0009","90","","91.727","0.005","90","","1437.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H14 O -","- C22 H14 O -","- C88 H56 O4 -","4","2","","Huang, Yue-E; Wang, Xing-Zhi; Hu, Peng; Qi, Xing-Hui; Huang, Xiao-Ying; Kloc, Christian; Wu, Xiaohui; Du, Ke-Zhao","Single-photon upconversion in 6-pentaceneone crystal from bulk to ultrathin flakes.","Nanoscale","2020","12","11","6227","6232","10.1039/d0nr00306a","","","0.71073","MoKα","","0.1125","0.0588","","","0.1493","0.1827","","","","","","1.034","","","","has coordinates","250330","2020-10-21","18:00:00",""
"1557352","37.059","0.002","6.5105","0.0004","12.0031","0.0007","90","","104.561","0.003","90","","2803","0.3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H44 O8 -","- C30 H44 O8 -","- C120 H176 O32 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.1112","0.1024","","","0.2843","0.3028","","","","","","1.268","","","","has coordinates","248346","2020-10-21","18:00:00",""
"1557353","8.7074","0.0002","11.7878","0.0003","26.4646","0.0006","90","","90","","90","","2716.36","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O7 -","- C30 H44 O7 -","- C120 H176 O28 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.0479","0.0415","","","0.1126","0.119","","","","","","0.893","","","","has coordinates","248347","2020-10-21","18:00:00",""
"1557354","12.599","0.003","9.671","0.002","27.353","0.006","90","","98.957","0.002","90","","3292.2","1.3","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 Cl2 N O P2 Ru S -","- C35 H37 Cl2 N O P2 Ru S -","- C140 H148 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0485","0.035","","","0.0777","0.0823","","","","","","1.177","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557355","17.8808","0.0015","10.6576","0.0009","19.6658","0.0017","90","","96.36","0.0015","90","","3724.6","0.5","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cl2 N O P2 Ru S -","- C41 H41 Cl2 N O P2 Ru S -","- C164 H164 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0828","0.0703","","","0.1638","0.1667","","","","","","2.55","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557356","11.84","0.02","31.81","0.05","10.563","0.018","90","","111.468","0.018","90","","3702","11","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl2 N O P2 Ru S -","- C38 H43 Cl2 N O P2 Ru S -","- C152 H172 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.1814","0.1235","","","0.2626","0.2766","","","","","","1.593","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557357","10.2315","0.0019","22.51","0.004","31.197","0.006","90","","90","","90","","7185","2","100","1","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Cl2 N O P2 Ru S -","- C40 H39 Cl2 N O P2 Ru S -","- C320 H312 Cl16 N8 O8 P16 Ru8 S8 -","8","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0394","0.0299","","","0.0698","0.0734","","","","","","1.167","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557358","10.4094","0.0009","13.855","0.0011","13.8759","0.0011","72.843","0.001","74.273","0.001","73.643","0.001","1795.8","0.3","100","1","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 Cl4 N P2 Ru S -","- C36 H39 Cl4 N P2 Ru S -","- C72 H78 Cl8 N2 P4 Ru2 S2 -","2","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.024","0.0236","","","0.0574","0.0576","","","","","","1.145","","","","has coordinates,has disorder","248352","2020-10-21","18:00:00",""
"1557359","10.1683","0.0007","17.5052","0.0012","20.3353","0.0014","90","","100.513","0.002","90","","3558.9","0.4","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl2 N P2 Ru S -","- C38 H43 Cl2 N P2 Ru S -","- C152 H172 Cl8 N4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0391","0.0368","","","0.1117","0.1131","","","","","","1.984","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557360","5.6483","0.0005","9.0345","0.0007","9.1851","0.0009","90","","103.599","0.004","90","","455.57","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O4 -","- C8 H14 N2 O4 -","- C16 H28 N4 O8 -","2","0.5","","Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M.","Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s","Chemical Science","2020","11","11","2951","2966","10.1039/C9SC05267D","","","0.71073","MoKα","","0.0376","0.0329","","","0.0896","0.0944","","","","","","1.072","","","","has coordinates","257405","2020-10-21","18:00:00",""
"1557361","7.4767","0.0003","11.673","0.0004","21.5145","0.0012","96.026","0.004","90.715","0.004","98.636","0.003","1845.38","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Cl2 F17 N3 O3 Pt -","- C30 H28 Cl2 F17 N3 O3 Pt -","- C60 H56 Cl4 F34 N6 O6 Pt2 -","2","1","","Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti","Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.","Soft matter","2020","16","11","2795","2802","10.1039/c9sm02186h","","","0.71073","MoKα","","0.0747","0.053","","","0.1065","0.1166","","","","","","1.046","","","","has coordinates,has disorder","250381","2020-10-21","18:00:00",""
"1557362","7.4212","0.0001","12.1297","0.0002","20.0591","0.0003","82.046","0.001","86.277","0.001","85.498","0.002","1780.09","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H53 Cl2 N3 O4 Pt -","- C33 H53 Cl2 N3 O4 Pt -","- C66 H106 Cl4 N6 O8 Pt2 -","2","1","","Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti","Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.","Soft matter","2020","16","11","2795","2802","10.1039/c9sm02186h","","","1.54184","CuKα","","0.0405","0.0375","","","0.0977","0.1007","","","","","","1.043","","","","has coordinates","250381","2020-10-21","18:00:00",""
"1557368","21.55","0.0008","6.0366","0.0002","27.4915","0.0009","90","","92.111","0.001","90","","3573.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methoxyphenyl)naphthalene","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","TK4061","Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G.","1,4-Bis(4-methoxyphenyl)naphthalene","IUCrData","2020","5","2","x200212","","10.1107/S2414314620002126","","","0.71073","MoKα","","0.1554","0.0773","","","0.1995","0.2814","","","","","","1.019","","","","has coordinates,has Fobs","248400","2020-10-21","18:00:00",""
"1557369","14.6392","0.0005","5.7111","0.0002","17.5295","0.0006","90","","102.349","0.001","90","","1431.66","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 4-methylbenzenesulfonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","HB4337","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","2-Aminoanilinium 4-methylbenzenesulfonate","IUCrData","2020","5","2","x200230","","10.1107/S2414314620002308","","","0.71073","MoKα","","0.0628","0.0424","","","0.1099","0.1271","","","","","","1.062","","","","has coordinates,has Fobs","248401","2020-10-21","18:00:00",""
"1557370","10.2628","0.0006","20.5653","0.0013","13.3923","0.0008","90","","111.638","0.0015","90","","2627.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","","- C26 H34 O4 Si2 -","- C26 H34 O4 Si2 -","- C104 H136 O16 Si8 -","4","1","BT4089","Weil, Matthias; Kremsmayr, Thomas; Mihovilovic, Marko D.","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","IUCrData","2020","5","2","x200224","","10.1107/S2414314620002242","","","0.71073","MoKα","","0.0591","0.0408","","","0.0955","0.1042","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","248402","2020-10-21","18:00:00",""
"1557371","7.1378","0.0002","9.8466","0.0002","14.7942","0.0003","88.9786","0.0016","79.0044","0.0017","74.6213","0.0019","983.56","0.04","93","2","93","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C54 H38 N2 O6 -","2","2","","Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi","Accurate chiral pattern recognition for amines from just a single chemosensor","Chemical Science","2020","11","15","3790","3796","10.1039/D0SC00194E","","","0.71073","MoKα","","0.0368","0.0337","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","257387","2020-10-21","18:00:00",""
"1557372","21.4461","0.0012","8.4399","0.0004","7.3436","0.0004","90","","90","","90","","1329.21","0.12","296","2","296.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0568","0.049","","","0.119","0.1277","","","","","","1.091","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557373","9.2973","0.0003","11.5371","0.0004","17.8524","0.0006","99.629","0.001","101.049","0.001","97.562","0.001","1826.25","0.11","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N2 O4 S -","- C48 H36 N2 O4 S -","- C96 H72 N4 O8 S2 -","2","1","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0566","0.0453","","","0.1154","0.1241","","","","","","1.023","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557374","10.5796","0.0014","13.7266","0.0018","14.368","0.0018","85.956","0.005","83.941","0.005","82.064","0.005","2051.7","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","1","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.1839","0.1059","","","0.3102","0.3784","","","","","","1.126","","","","has coordinates,has disorder","257349","2020-10-21","18:00:00",""
"1557375","9.8562","0.0002","7.7464","0.0002","10.34","0.0002","90","","91.055","0.001","90","","789.33","0.03","173","2","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C34 H52 O10 -","2","1","","Fu, Yifan; Ding, Xiaoyu; Zhang, Xianglei; Shao, Xingcheng; Zhao, Jihui; Xu, Yechun; Luo, Xiaomin; Zhao, Weimin","Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01269","","","1.54178","CuKα","","0.0316","0.0299","","","0.076","0.0779","","","","","","1.058","","","","has coordinates","248463","2020-10-21","18:00:00",""
"1557376","10.8116","0.0005","14.4381","0.0006","14.9803","0.0007","90","","96.596","0.002","90","","2322.93","0.18","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0366","0.0301","","","0.0704","0.0745","","","","","","1.077","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557377","10.7397","0.0012","14.1109","0.0014","14.679","0.0016","90","","95.98","0.003","90","","2212.5","0.4","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.1056","0.0676","","","0.1345","0.1487","","","","","","1.107","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557378","10.7739","0.0005","13.9861","0.0006","14.5762","0.0007","90","","95.77","0.002","90","","2185.28","0.17","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0499","0.0391","","","0.0809","0.0865","","","","","","1.162","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557379","10.7701","0.001","14.1621","0.0012","14.7425","0.0013","90.082","0.003","96.077","0.003","90.471","0.003","2235.9","0.3","80","2","80.09","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","2","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0955","0.0909","","","0.2265","0.2285","","","","","","1.349","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557380","12.5252","0.0009","16.8071","0.0012","12.9207","0.0011","90","","90.786","0.002","90","","2719.7","0.4","153","2","153","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C60 H56 B2 F8 N2 O8 -","- C60 H56 B2 F7.852 N2 O8 -","- C120 H112 B4 F15.704 N4 O16 -","2","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1604","0.0998","","","0.244","0.2992","","","","","","1.036","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557381","9.3351","0.0006","20.6304","0.0013","9.7275","0.0006","90","","105.289","0.002","90","","1807.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1079","0.0841","","","0.1306","0.1379","","","","","","1.202","","","","has coordinates","257416","2020-10-21","18:00:00",""
"1557382","11.0604","0.0006","16.678","0.0009","15.1704","0.0008","90","","100.639","0.002","90","","2750.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 B F4 N O2 -","- C33 H28 B F4 N O2 -","- C132 H112 B4 F16 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.0531","0.0418","","","0.0963","0.1035","","","","","","1.03","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557383","9.2314","0.0005","19.6394","0.0011","19.9121","0.001","90","","93.605","0.002","90","","3602.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.142","0.0892","","","0.1397","0.1553","","","","","","1.144","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557384","8.497","0.003","13.357","0.005","13.775","0.005","90","","85.689","0.014","90","","1559","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F2 O2 S -","- C17 H18 F2 O2 S -","- C68 H72 F8 O8 S4 -","4","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0712","","","0.1506","0.2022","","","","","","1.011","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557385","10.2309","0.0005","13.2445","0.0005","13.5012","0.0006","66.799","0.001","70.33","0.001","75.627","0.001","1569.19","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Cl F4 O4 S2 -","- C33 H29 Cl F4 O4 S2 -","- C66 H58 Cl2 F8 O8 S4 -","2","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0537","","","0.1584","0.1818","","","","","","1.021","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557386","15.327","0.004","9.854","0.002","28.274","0.007","90","","104.113","0.009","90","","4141.4","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H12 Br F6 N -","- C23 H12 Br F6 N -","- C184 H96 Br8 F48 N8 -","8","1","","Jyothi, Mane; Annadhasan, Mari; Vinay Pradeep, Vuppu; Chandrasekar, Rajadurai","Direct micro-scale monitoring of molecular aggregation, its growth and diffusion via aggregation-induced emission.","Soft matter","2020","16","11","2664","2668","10.1039/d0sm00108b","","","0.71073","MoKα","","0.1443","0.0736","","","0.1628","0.1931","","","","","","1.023","","","","has coordinates","250382","2020-10-21","18:00:00",""
"1557387","14.2399","0.0005","7.5126","0.0003","14.7479","0.0005","90","","101.619","0.0019","90","","1545.38","0.1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","0.5","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","0.71073","MoKα","","0.0577","0.0485","","","0.1466","0.1522","","","","","","1.118","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557388","20.1826","0.0009","18.7307","0.0007","17.1854","0.0006","90","","91.583","0.002","90","","6494.2","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H40 N4 O12 Zn2 -","- C56 H40 N4 O12 Zn2 -","- C224 H160 N16 O48 Zn8 -","4","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0997","0.0768","","","0.2231","0.2401","","","","","","1.091","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557389","28.18","0.004","14.88","0.002","18.158","0.003","90","","124.421","0.006","90","","6280.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C304 H208 N16 O48 Zn8 -","8","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0874","0.0558","","","0.125","0.1387","","","","","","1.032","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557394","6.2309","0.0007","7.4169","0.0008","13.0054","0.0015","90","","90.1686","0.0018","90","","601.03","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-([1,1'-biphenyl]-4-yl)dihydrofuran-2(3H)-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","","Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo","Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes","Chemical Science","2020","11","12","3146","3151","10.1039/D0SC00467G","","","0.71073","MoKα","","0.0424","0.0364","","","0.0709","0.0725","","","","","","1","","","","has coordinates","257410","2020-10-21","18:00:00",""
"1557395","22.979","0.005","22.979","0.005","15.496","0.004","90","","90","","120","","7086","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H68 N18 O27 Zn8 -","- C102 H68.0004 N18 O27 Zn8 -","- C306 H204.001 N54 O81 Zn24 -","3","0.166667","","Chen, Sheng-Chun; Zhang, Fei-Hang; Huang, Kun-Lin; Tian, Feng; Zhang, Zhi-Hui; Zhou, Renxian; Feng, Xue-Jun; Zhou, Xiaoying; He, Ming-Yang; Gu, Jiande; Chen, Qun; Wu, Chuan-De","The crucial roles of guest water in a biocompatible coordination network in the catalytic ring-opening polymerization of cyclic esters: a new mechanistic perspective","Chemical Science","2020","11","12","3345","3354","10.1039/C9SC06024C","","","0.71073","MoKα","","0.0825","0.0627","","","0.1507","0.1594","","","","","","1.192","","","","has coordinates","257411","2020-10-21","18:00:00",""
"1557396","16.2062","0.0011","8.1904","0.0004","17.137","0.0007","90","","91.218","0.005","90","","2274.2","0.2","150","0.3","150","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B Br -","- C30 H26 B Br -","- C120 H104 B4 Br4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0994","0.0516","","","0.1045","0.1251","","","","","","1.018","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557397","8.4803","0.0005","9.1672","0.0005","19.9099","0.0011","80.254","0.004","85.195","0.005","68.593","0.005","1419.82","0.15","150.03","0.13","150.03","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 B Br -","- C36 H36 B Br -","- C72 H72 B2 Br2 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0551","0.0442","","","0.119","0.1259","","","","","","1.068","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557398","6.4265","0.0004","15.8695","0.001","20.617","0.0011","90","","97.511","0.005","90","","2084.6","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0689","0.0481","","","0.0809","0.0877","","","","","","1.069","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557399","9.4752","0.0004","9.8107","0.0004","15.1088","0.0006","93.579","0.003","100.145","0.003","90.47","0.003","1379.57","0.1","150.03","0.1","150.03","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0426","0.0376","","","0.092","0.0954","","","","","","1.116","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557400","20.7096","0.0003","6.4384","0.0001","15.5735","0.0002","90","","90","","90","","2076.52","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.044","0.0438","","","0.1085","0.1089","","","","","","1.045","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557401","13.2781","0.0003","5.936","0.0001","18.4485","0.0004","90","","100.58","0.002","90","","1429.37","0.05","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 B Br3 -","- C14 H10 B Br3 -","- C56 H40 B4 Br12 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0453","0.0309","","","0.0661","0.0706","","","","","","1.13","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557402","42.071","0.003","29.3977","0.001","6.6541","0.0002","90","","90","","90","","8229.7","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H42 B2 Br2 O2 -","- C44 H42 B2 Br2 O2 -","- C352 H336 B16 Br16 O16 -","8","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.1173","0.0907","","","0.2404","0.258","","","","","","1.129","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557403","16.0697","0.0011","19.1015","0.0011","7.184","0.0005","90","","99.697","0.006","90","","2173.7","0.2","270","0.1","270","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Br O -","- C28 H22 B Br O -","- C112 H88 B4 Br4 O4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0908","0.0513","","","0.0946","0.108","","","","","","1.065","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557404","8.0182","0.0003","16.5443","0.0007","17.4491","0.0008","64.933","0.004","86.117","0.003","77.027","0.003","2042.2","0.17","99.8","0.5","99.8","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0552","0.0457","","","0.1204","0.1272","","","","","","1.044","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557405","9.836","0.002","10.894","0.002","14.514","0.003","82.02","0.03","73.02","0.03","71.06","0.03","1405.2","0.6","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.1034","0.0698","","","0.1328","0.1467","","","","","","1.02","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557406","13.45","0.003","14.624","0.003","15.214","0.003","91.36","0.03","92.15","0.03","116.43","0.03","2675.1","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 B2 Br2 -","- C58 H54 B2 Br2 -","- C116 H108 B4 Br4 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","","0.71073","MoKα","","0.0889","0.0668","","","0.1815","0.1948","","","","","","1.032","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557407","9.7165","0.0004","13.0789","0.0008","16.8043","0.0008","76.357","0.005","79.83","0.004","85.53","0.004","2041.18","0.19","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H56 N2 O2 Zn -","- C45.5 H55.5 N2 O2 Zn -","- C91 H111 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0596","0.0536","","","0.1494","0.157","","","","","","1.018","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557408","9.4634","0.0002","12.7656","0.0002","11.441","0.0002","90","","105.049","0.002","90","","1334.74","0.04","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O2 Zn2 -","- C30 H30 N2 O2 Zn2 -","- C60 H60 N4 O4 Zn4 -","2","0.5","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0388","0.0365","","","0.0968","0.0996","","","","","","1.07","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557409","9.4398","0.0007","10.7434","0.0008","12.1939","0.001","67.141","0.007","68.745","0.007","77.707","0.007","1058.27","0.16","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 Zn -","- C26 H20 N2 O2 Zn -","- C52 H40 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0323","0.0298","","","0.08","0.0822","","","","","","1","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557410","8.3728","0.0004","13.2623","0.0005","13.5714","0.0007","90","","97.625","0.005","90","","1493.68","0.12","150","2","150.02","0.19","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl4 N2 O2 Zn2 -","- C30 H26 Cl4 N2 O2 Zn2 -","- C60 H52 Cl8 N4 O4 Zn4 -","2","0.5","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","0.71073","MoKα","","0.0445","0.0327","","","0.0685","0.0733","","","","","","1.034","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557411","11.4229","0.0006","11.7375","0.0006","13.3309","0.0006","65.684","0.005","83.729","0.004","66.409","0.005","1489.37","0.16","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl4 N2 O2 Zn -","- C33 H24 Cl4 N2 O2 Zn -","- C66 H48 Cl8 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0289","0.0268","","","0.0679","0.0699","","","","","","1.031","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557412","25.1264","0.0008","18.5514","0.0005","18.1043","0.0005","90","","90.301","0.003","90","","8438.8","0.4","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 N2 O2 Zn2 -","- C46 H62 N2 O2 Zn2 -","- C368 H496 N16 O16 Zn16 -","8","2","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0533","0.0468","","","0.1285","0.1338","","","","","","1.101","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557413","13.949","0.0009","4.9891","0.0003","17.3647","0.0011","90","","105.693","0.004","90","","1163.42","0.13","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Bis(2-oxopropyl)thymine","5-Methyl-1,3-bis(2-oxopropyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","ZQ4039","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Soares, Fábio da Paixão","1,3-Bis(2-oxopropyl)thymine","IUCrData","2020","5","2","x200257","","10.1107/S2414314620002576","","","0.71073","MoKα","","0.0621","0.042","","","0.0931","0.103","","","","","","1.027","","","","has coordinates,has Fobs","248570","2020-10-21","18:00:00",""
"1557414","14.7455","0.001","11.9504","0.0008","11.9649","0.0008","90","","101.898","0.002","90","","2063.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","","- C25 H19 N O7 -","- C25 H19 N O7 -","- C100 H76 N4 O28 -","4","1","HB4338","Lough, Alan J.; Ho, Angel; Tam, William","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","IUCrData","2020","5","2","x200265","","10.1107/S2414314620002655","","","0.71073","MoKα","","0.0617","0.0359","","","0.0821","0.093","","","","","","1.011","","","","has coordinates,has Fobs","248571","2020-10-21","18:00:00",""
"1557424","10.4391","0.001","11.8365","0.0008","10.5951","0.001","90","","116.601","0.012","90","","1170.6","0.2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H33 Cl F N O10 -","- C19 H33 Cl F N O10 -","- C38 H66 Cl2 F2 N2 O20 -","2","1","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.0736","0.0681","","","0.206","0.2098","","","","","","1.081","","","","has coordinates","248619","2020-10-21","18:00:00",""
"1557425","11.2828","0.0008","17.8489","0.0014","12.4059","0.0011","90","","90","","90","","2498.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19 H33 Cl2 N O11 -","- C19 H33 Cl2 N O11 -","- C76 H132 Cl8 N4 O44 -","4","0.5","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.1327","0.1052","","","0.2823","0.3139","","","","","","1.064","","","","has coordinates","248620","2020-10-21","18:00:00",""
"1557426","11.1097","0.0013","18.09","0.002","12.2804","0.0017","90","","90","","90","","2468","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C19 H33 Cl F N O11 -","- C19 H33 Cl F N O11 -","- C76 H132 Cl4 F4 N4 O44 -","4","0.5","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.2032","0.1126","","","0.2849","0.3462","","","","","","1.041","","","","has coordinates","248621","2020-10-21","18:00:00",""
"1557427","17.5144","0.0004","22.5809","0.0005","11.9905","0.0003","90","","90","","90","","4742.13","0.19","128","2","128","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl2 N O10 -","- C19 H33 Cl2 N O10 -","- C152 H264 Cl16 N8 O80 -","8","2","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.1468","0.1454","","","0.2981","0.2988","","","","","","1.089","","","","has coordinates","248622","2020-10-21","18:00:00",""
"1557428","10.6898","0.0007","11.775","0.0008","11.9913","0.0007","71.708","0.002","65.4407","0.0019","89.239","0.002","1291.4","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.0899","0.0597","","","0.1164","0.1316","","","","","","1.038","","","","has coordinates","257350","2020-10-21","18:00:00",""
"1557429","9.1957","0.0006","10.841","0.0007","13.3381","0.0008","100.85","0.002","100.343","0.002","93.057","0.002","1279.46","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.1091","0.0499","","","0.0814","0.0961","","","","","","1.05","","","","has coordinates,has disorder","257350","2020-10-21","18:00:00",""
"1557430","40.6116","0.0006","14.3027","0.0002","43.1791","0.0009","90","","108.163","0.002","90","","23831.1","0.7","120","0.1","120","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C912 H416 B16 Cl16 F384 N48 O8 Pd8 -","4","0.5","","Martí-Centelles, Vicente; Spicer, Rebecca L.; Lusby, Paul J.","Non-covalent allosteric regulation of capsule catalysis","Chemical Science","2020","11","12","3236","3240","10.1039/D0SC00341G","","x-ray","1.54178","CuKα","","0.103","0.0936","","","0.2484","0.2569","","","","","","1.103","","","","has coordinates,has disorder","257418","2020-10-21","18:00:00",""
"1557435","9.8085","0.0005","8.9262","0.0004","21.7277","0.0009","90","","99.222","0.005","90","","1877.73","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B N2 O5 -","- C20 H19 B N2 O5 -","- C80 H76 B4 N8 O20 -","4","1","","Williams, Alexander F.; White, Andrew J. P.; Spivey, Alan C.; Cordier, Christopher J.","meta-Selective C‒H functionalisation of aryl boronic acids directed by a MIDA-derived boronate ester","Chemical Science","2020","11","12","3301","3306","10.1039/D0SC00230E","","","0.71073","MoKα","","0.0648","0.0439","","","0.0895","0.1012","","","","","","1.044","","","","has coordinates","257412","2020-10-21","18:00:00",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","248737","2020-10-21","18:00:00",""
"1557437","23.302","0.005","23.302","0.005","21.347","0.004","90","0.03","90","0.03","120","0.03","10038","5","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C172 H168 Ca F21 N24 O30 Rh6 S7 -","- C169 H168 Ca F12 N24 O21 Rh6 S4 -","- C338 H336 Ca2 F24 N48 O42 Rh12 S8 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.0576","0.0545","","","0.1565","0.1621","","","","","","1.068","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557438","22.5096","0.0015","25.221","0.002","39.36","0.003","72.977","0.003","89.886","0.004","76.76","0.004","20747","3","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C333 H250 F35 K2 N99 O100 Rh12 S7 -","- C335 F24 K2 N48 O43 Rh12 S8 -","- C670 F48 K4 N96 O86 Rh24 S16 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34139","GaKα","","0.2025","0.1885","","","0.4726","0.4884","","","","","","2.124","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557439","22.673","0.005","22.673","0.005","20.482","0.004","90","0.03","90","0.03","120","0.03","9118","4","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C170 H185 F24 N24 O34.5 Rh6 S8 Sr -","- C170 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C340 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1205","0.0868","","","0.1834","0.2097","","","","","","1.053","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557440","22.564","0.003","22.564","0.003","20.375","0.003","90","","90","","120","","8984","2","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C173 H189 F24 N24 O37.5 Rh6 S8 Sr -","- C173 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C346 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1109","0.1065","","","0.3181","0.3222","","","","","","1.075","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557441","72.911","0.005","20.9282","0.0014","33.246","0.002","90","","106.419","0.002","90","","48661","6","173","2","173.05","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C190 H252 Ba2 F30 N24 O60 Rh6 S14 -","- C175 H184 Ba2 F18 N24 O32 Rh6 S7 -","- C1400 H1472 Ba16 F144 N192 O256 Rh48 S56 -","8","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1012","0.0929","","","0.2998","0.313","","","","","","1.346","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557442","14.557","0.003","10.2366","0.0005","8.2137","0.0014","90","","141.27","0.04","90","","765.8","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 Ni O2 -","- C16 H20 N2 Ni O2 -","- C32 H40 N4 Ni2 O4 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0318","0.0281","","","0.0708","0.0733","","","","","","1.048","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557443","8.3939","0.0004","14.9329","0.0008","8.7611","0.0006","90","","108.791","0.008","90","","1039.63","0.11","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 Ni O6 -","- C20 H28 N2 Ni O6 -","- C40 H56 N4 Ni2 O12 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","0.71075","MoKα","","0.0538","0.0418","","","0.08","0.0846","","","","","","1.046","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557444","22.4997","0.0012","8.4913","0.0003","17.7726","0.0007","90","","111.646","0.005","90","","3156","0.3","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H35 F6 N5 Ni O2 P -","- C31 H35 F6 N5 Ni O2 P -","- C124 H140 F24 N20 Ni4 O8 P4 -","4","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0692","0.0526","","","0.132","0.1434","","","","","","1.071","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557445","5.8903","0.0003","7.8065","0.0004","11.6922","0.0006","90.458","0.003","101.223","0.003","93.037","0.003","526.52","0.05","223","","223.15","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","1","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","0.0856","0.0689","","","0.1962","0.2081","","","","","","1.068","","","","has coordinates,has disorder","257323","2020-10-21","18:00:00",""
"1557446","7.45474","0.00015","16.2651","0.0003","6.76866","0.00016","90","","90.98","0.002","90","","820.59","0.03","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 S4 -","- C20 H14 S4 -","- C40 H28 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","0.71073","MoKα","","0.0451","0.0358","","","0.0954","0.0999","","","","","","1.076","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557447","7.6311","0.0003","17.4783","0.0007","5.2771","0.0002","90","","91.18","0.003","90","","703.7","0.05","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 S4 -","- C16 H12 S4 -","- C32 H24 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","","0.0754","","","","0.2144","","","","","","1.233","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557448","9.423","0.007","10.032","0.006","11.391","0.007","90","","104.61","0.02","90","","1042","1.2","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H26 -","- C26 H26 -","- C52 H52 -","2","1","","Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu","Copper-catalyzed enantioselective arylalkynylation of alkenes.","Chemical science","2020","11","6","1623","1628","10.1039/c9sc04029c","","","0.71073","MoKα","","0.1028","0.0628","","","0.1624","0.1939","","","","","","1.046","","","","has coordinates,has disorder","250233","2020-10-21","18:00:00",""
"1557449","11.0592","0.0004","12.9006","0.0003","18.7834","0.0005","98.063","0.002","91.131","0.002","103.315","0.003","2578.25","0.14","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H72 Cl F3 N3 O3 P S -","- C55 H72 Cl F3 N3 O3 P S -","- C110 H144 Cl2 F6 N6 O6 P2 S2 -","2","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0483","0.042","","","0.1129","0.1182","","","","","","1.082","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557450","19.16275","0.00015","13.46701","0.0001","28.2924","0.0002","90","","94.584","0.0007","90","","7277.92","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H80 Cl15 Ga3 N3 P -","- C59 H80 Cl15 Ga3 N3 P -","- C236 H320 Cl60 Ga12 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0384","0.036","","","0.0954","0.0974","","","","","","1.034","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557451","18.56527","0.00011","11.96597","0.00007","22.85445","0.00016","90","","101.614","0.0006","90","","4973.19","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 N3 P -","- C57 H76 N3 P -","- C228 H304 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0459","0.0419","","","0.1173","0.1215","","","","","","1.037","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557452","24.13916","0.00017","18.9021","0.00013","26.08922","0.00018","90","","90","","90","","11904","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 Cl8 Ga2 N3 P -","- C54 H72 Cl8 Ga2 N3 P -","- C432 H576 Cl64 Ga16 N24 P8 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1232","0.1251","","","","","","1.03","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557453","11.5123","0.0002","12.8811","0.0002","37.2397","0.0005","90","","97.724","0.001","90","","5472.21","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl4 Ga N3 P -","- C54 H72 Cl4 Ga N3 P -","- C216 H288 Cl16 Ga4 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0642","0.0544","","","0.1072","0.1106","","","","","","1.174","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557454","12.5627","0.0001","15.9337","0.0002","23.6169","0.0002","90","","93.554","0.001","90","","4718.31","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N3 P -","- C54 H72 N3 P -","- C216 H288 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.0921","0.0933","","","","","","1.03","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557455","40.7612","0.0006","12.3237","0.0002","23.4798","0.0003","90","","101.398","0.001","90","","11562","0.3","100","0.13","100","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C115 H154 Cl10 Ga2 N6 P2 -","- C115 H154 Cl10 Ga2 N6 P2 -","- C460 H616 Cl40 Ga8 N24 P8 -","4","0.5","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0873","0.0517","","","0.1046","0.1194","","","","","","1.036","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557456","8.3861","0.0003","11.5994","0.0004","14.05","0.0005","86.881","0.002","79.282","0.002","83.876","0.002","1334.35","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","1","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.033","0.0272","","","0.0633","0.0673","","","","","","1.077","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557457","22.1326","0.0005","8.3936","0.0002","22.8868","0.0006","90","","109.561","0.001","90","","4006.34","0.17","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 Ag2 Li2 N4 -","- C36 H72 Ag2 Li2 N4 -","- C144 H288 Ag8 Li8 N16 -","4","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.0345","0.0257","","","0.0517","0.0537","","","","","","1.128","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557458","12.4986","0.0002","14.8962","0.0002","21.7554","0.0004","90","","93.742","0.002","90","","4041.82","0.11","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Ag Li N2 O3 -","- C42 H56 Ag Li N2 O3 -","- C168 H224 Ag4 Li4 N8 O12 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0349","0.0328","","","0.1101","0.1128","","","","","","0.962","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557459","13.3743","0.0002","18.2477","0.0002","22.9463","0.0003","90","","103.316","0.002","90","","5449.49","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 Ag2 Li2 N4 O2 -","- C56 H84 Ag2 Li2 N4 O2 -","- C224 H336 Ag8 Li8 N16 O8 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0397","0.0362","","","0.0944","0.0963","","","","","","1.131","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557465","6.1391","0.0001","15.1547","0.0002","11.9272","0.0002","90","","94.63","0.001","90","","1106.04","0.03","149.99","0.1","149.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 -","- C32 H20 -","- C64 H40 -","2","0.5","","Ma, Xiaoshuang; Tang, Zhenghua; Qin, Lubing; Peng, Jin; Li, Ligui; Chen, Shaowei","Unravelling the formation mechanism of alkynyl protected gold clusters: a case study of phenylacetylene stabilized Au<sub>144</sub> molecules.","Nanoscale","2020","12","5","2980","2986","10.1039/c9nr10930g","","x-ray","1.54184","CuKα","","0.0594","0.0558","","","0.1413","0.1479","","","","","","1.04","","","","has coordinates","248778","2020-10-21","18:00:00",""
"1557466","28.0519","0.001","28.0519","0.001","9.7811","0.0007","90","","90","","90","","7696.8","0.7","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C48 H16 Co3 O24 -","- C48 H16 Co3 O24 -","- C192 H64 Co12 O96 -","4","0.25","","Zhao, Juanjuan; Hu, Haibo; Wu, Mingzai","N-Doped-carbon/cobalt-nanoparticle/N-doped-carbon multi-layer sandwich nanohybrids derived from cobalt MOFs having 3D molecular structures as bifunctional electrocatalysts for on-chip solid-state Zn-air batteries.","Nanoscale","2020","12","6","3750","3762","10.1039/c9nr09779a","","","0.71073","MoKα","","0.0533","0.0477","","","0.1184","0.1213","","","","","","1.091","","","","has coordinates,has disorder","248779","2020-10-21","18:00:00",""
"1557467","10.9521","0.0009","12.1033","0.0011","12.578","0.0011","115.914","0.004","92.683","0.001","110.251","0.003","1367.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","1","1","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua","Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","7","1393","1400","10.1039/C9PY01901D","","","0.71073","MoKα","","0.099","0.089","","","0.2086","0.2179","","","","","","1.023","","","","has coordinates,has disorder","257946","2020-10-21","18:00:00",""
"1557468","16.631","0.0014","15.673","0.0013","22.5127","0.0019","90","","99.756","0.002","90","","5783.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Br2 N2 Ni -","- C60 H76 Br2 N2 Ni -","- C240 H304 Br8 N8 Ni4 -","4","1","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua","Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","7","1393","1400","10.1039/C9PY01901D","","","0.71073","MoKα","","0.1412","0.0543","","","0.0789","0.0848","","","","","","1.018","","","","has coordinates,has disorder","257946","2020-10-21","18:00:00",""
"1557469","7.5349","0.0006","8.6378","0.0007","8.9921","0.0007","64.087","0.001","81.565","0.001","69.348","0.001","492.56","0.07","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- Cr H28 Na3 O22 -","- Cr H28 Na3 O22 -","- Cr H28 Na3 O22 -","1","0.5","","MIKURIYA, Masahiro; HIROSHIMA, Shuichi; KOYAMA, Yoshiki; TERADA, Keisuke; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Preparation and Crystal Structure of Sodium Tetraperoxidochromate(V)","X-ray Structure Analysis Online","2020","36","0","3","5","10.2116/xraystruct.36.3","","","0.71073","MoKα","","0.0326","0.0277","","","0.0703","0.0722","","","","","","1.045","","","","has coordinates","258162","2020-10-21","18:00:00",""
"1557471","6.6586","0.0007","12.8635","0.0014","17.4187","0.0019","90","","99.657","0.003","90","","1470.8","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C20 H40 Cl12 Cu6 N32 O4 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0677","0.0494","","","0.1078","0.113","","","","","","1.143","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557472","6.7181","0.0005","12.9961","0.0009","12.9971","0.0009","64.067","0.002","79.492","0.002","82.134","0.002","1001.29","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","1","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0247","0.0209","","","0.0502","0.0514","","","","","","1.08","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557473","10.1237","0.0005","9.5414","0.0005","14.4784","0.0008","90","","93.65","0.002","90","","1395.69","0.13","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl4 Cu4 N16 S4 -","- C12 H20 Cl4 Cu4 N16 S4 -","- C24 H40 Cl8 Cu8 N32 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0253","0.0212","","","0.0467","0.048","","","","","","1.081","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557474","20.3164","0.0018","6.5444","0.0006","12.8543","0.0011","90","","109.493","0.003","90","","1611.1","0.2","100.03","","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl2 Cu N4 S -","- C3 H5 Cl2 Cu N4 S -","- C24 H40 Cl16 Cu8 N32 S8 -","8","1","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0222","0.0196","","","0.0453","0.0461","","","","","","1.166","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557475","8.1042","0.0011","14.3559","0.0018","17.696","0.003","90","","103.077","0.003","90","","2005.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O9 Rh2 -","- C16 H22 N2 O9 Rh2 -","- C64 H88 N8 O36 Rh8 -","4","1","","Arakawa, Kazuki; Yano, Natsumi; Imasaki, Nanako; Kohara, Yoshihiro; Yatsushiro, Daiki; Atarashi, Daiki; Handa, Makoto; Kataoka, Yusuke","Coordination-Induced Self-Assembly of a Heteroleptic Paddlewheel-Type Dirhodium Complex","Crystals","2020","10","2","85","","10.3390/cryst10020085","","","0.71075","MoKα","","0.0724","0.065","","","0.148","0.1583","","","","","","1.149","","","","has coordinates","249065","2020-10-21","18:00:00",""
"1557476","13.6977","0.0004","11.9911","0.0003","21.2056","0.0005","90","","96.908","0.001","90","","3457.75","0.16","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4","","- C36 H46 Cl2 N3 Ru -","- C36 H46 Cl2 N3 Ru -","- C144 H184 Cl8 N12 Ru4 -","4","1","","Sivanesan, Dharmalingam; Seo, Bongkuk; Lim, Choong-Sun; Choi, Dongchen; Kim, Taehee; Kim, Hyeon-Gook","An additional potential donor-bearing alkylidene-containing latent NHC‒ruthenium-based catalyst for olefin metathesis polymerization","Polymer Chemistry","2020","11","14","2511","2518","10.1039/C9PY01952A","","","0.71073","MoKα","","0.0617","0.049","","","0.1316","0.1422","","","","","","1.055","","","","has coordinates","257945","2020-10-21","18:00:00",""
"1557477","4.1328","0.0003","4.1328","0.0003","4.1328","0.0003","90","","90","","90","","70.588","0.009","","","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Vanadium Nitride","","- N4 V4 -","- N4 V4 -","- N4 V4 -","1","0.00520833","","Sharygin, Victor V.; Ripp, German S.; Yakovlev, Grigoriy A.; Seryotkin, Yurii V.; Karmanov, Nikolai S.; Izbrodin, Ivan A.; Grokhovsky, Victor I.; Khromova, Elena A.","Uakitite, VN, a New Mononitride Mineral from Uakit Iron Meteorite (IIAB)","Minerals","2020","10","2","150","","10.3390/min10020150","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","249072","2020-10-21","18:00:00",""
"1557478","15.552","0.007","4.355","0.002","16.234","0.007","90","","107.41","0.011","90","","1049.1","0.8","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","","Aitken, R.; Bloomfield, Charles; McGeachie, Liam; Slawin, Alexandra","Diethyl Pyrrole-2,5-Dicarboxylate","Molbank","2020","2020","1","M1117","","10.3390/M1117","","","1.54187","CuKα","","0.0654","0.0607","","","0.1456","0.1519","","","","","","0.963","","","","has coordinates","249073","2020-10-21","18:00:00",""
"1557481","7.9299","0.0005","9.3219","0.0004","13.5862","0.0009","87.768","0.004","76.928","0.005","76.025","0.005","949.2","0.1","290.8","0.1","290.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cl N3 O2 -","- C21 H22 Cl N3 O2 -","- C42 H44 Cl2 N6 O4 -","2","1","ED5019","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0783","0.0567","","","0.1406","0.1544","","","","","","1.054","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557482","7.7631","0.0006","8.025","0.0006","16.2297","0.0012","101.784","0.006","98.374","0.006","90.687","0.006","978.32","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl N3 O3 -","- C21 H24 Cl N3 O3 -","- C42 H48 Cl2 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0583","0.0495","","","0.1406","0.1551","","","","","","1.047","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557483","10.8864","0.0007","12.2705","0.0007","13.7811","0.001","106.966","0.006","105.782","0.006","103.324","0.005","1595.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Cl2 N4 O4 -","- C35 H34 Cl2 N4 O4 -","- C70 H68 Cl4 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.106","0.0755","","","0.1831","0.2038","","","","","","1.058","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557484","6.7049","0.0003","7.2778","0.0003","14.163","0.0006","77.167","0.004","79.908","0.003","65.487","0.004","610.42","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0842","0.0792","","","0.2157","0.2204","","","","","","1.06","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557485","10.4803","0.0006","11.8423","0.0009","13.3309","0.0008","94.335","0.005","95.883","0.005","102.871","0.006","1596.16","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","2","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0786","0.0527","","","0.1072","0.1202","","","","","","1.042","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557486","7.7575","0.0008","9.4727","0.0007","13.3076","0.0013","87.515","0.007","78.596","0.008","74.174","0.008","922.2","0.15","100.02","0.1","100.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C44 H50 N6 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0779","0.0621","","","0.1269","0.1361","","","","","","1.104","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557487","7.7248","0.0003","8.0592","0.0003","16.2531","0.0007","101.711","0.004","98.743","0.004","90.16","0.003","978.68","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0418","0.0379","","","0.0937","0.0962","","","","","","1.035","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557488","10.7678","0.0008","11.9673","0.001","13.786","0.0011","106.152","0.007","105.842","0.007","103.49","0.007","1546.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N4 O4 -","- C37 H40 N4 O4 -","- C74 H80 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0807","0.0637","","","0.1701","0.1862","","","","","","1.036","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557490","8.0498","0.0006","9.9049","0.0008","12.4534","0.0006","90","","90.098","0.006","90","","992.94","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.0976","0.063","","","0.1644","0.2113","","","","","","1.108","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557491","7.99891","0.00019","9.797","0.0003","12.3355","0.0002","90","","90.182","0.002","90","","966.67","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.0769","0.0533","","","0.1451","0.1813","","","","","","1.101","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557492","7.99","0.0005","9.7226","0.0006","12.2765","0.0005","90","","90.24","0.005","90","","953.67","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.0897","0.0609","","","0.1701","0.2129","","","","","","1.128","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557493","8.3247","0.0017","8.8916","0.0015","12.3381","0.0014","90","","87.379","0.011","90","","912.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1217","0.0675","","","0.1717","0.2293","","","","","","0.981","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557494","8.3142","0.001","8.7604","0.0008","12.3106","0.0008","90","","87.386","0.007","90","","895.72","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1156","0.068","","","0.1775","0.2304","","","","","","1.072","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557495","8.3001","0.0007","8.6881","0.0007","12.2807","0.0008","90","","87.539","0.006","90","","884.77","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.136","0.075","","","0.1955","0.2548","","","","","","1.136","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557496","8.2715","0.0015","8.5665","0.0013","12.2416","0.0015","90","","87.76","0.013","90","","866.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1794","0.1273","","","0.3347","0.3849","","","","","","1.799","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557497","8.2602","0.0003","8.4583","0.0004","12.225","0.004","90","","87.413","0.011","90","","853.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1067","0.0738","","","0.1969","0.2448","","","","","","1.315","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557498","8.2348","0.0007","8.2099","0.0009","12.359","0.008","90","","94.507","0.017","90","","833","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1457","0.1047","","","0.2983","0.3379","","","","","","1.883","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557499","8.2036","0.001","8.1487","0.0012","12.344","0.012","90","","94.74","0.03","90","","822.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1393","0.1099","","","0.2931","0.3263","","","","","","1.937","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557500","8.141","0.0017","8.0477","0.0015","12.355","0.015","90","","94.93","0.04","90","","806.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1713","0.1207","","","0.3023","0.3404","","","","","","1.894","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557501","11.5406","0.0002","18.5416","0.0003","18.7269","0.0003","90","","90","","90","","4007.2","0.11","123","","123","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C120 H136 Br8 F24 N16 O24 P8 Pt4 S8 -","4","1","","Marumoto, Manabu; Sotani, Taichi; Miyagi, Yu; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Synthesis of Platinum-Containing Conjugated Polymers Having QuinoxP* and Bipyridine Ligands. Chirality Transfer from the Phosphine Ligand to the Polymer Backbone","Macromolecules","2020","53","6","2031","2038","10.1021/acs.macromol.0c00096","","","0.71075","MoKα","","0.0303","0.0273","","","0.0629","0.0642","","","","","","1.02","","","","has coordinates","257166","2020-10-21","18:00:00",""
"1557502","10.7583","0.0004","20.7341","0.0005","12.2345","0.0005","90","","101.16","0.004","90","","2677.47","0.17","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","0.71073","MoKα","","0.0566","0.0413","","","0.0901","0.0959","","","","","","1.084","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557503","10.866","0.001","21.1945","0.0018","12.2707","0.0009","90","","101.413","0.008","90","","2770.1","0.4","335","","335","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1498","0.0699","","","0.176","0.2218","","","","","","0.982","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557504","10.874","0.0009","20.9284","0.0016","12.2372","0.0008","90","","101.859","0.007","90","","2725.4","0.4","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1177","0.0639","","","0.1583","0.1899","","","","","","1.012","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557505","10.9375","0.0009","21.278","0.0015","12.2835","0.0007","90","","100.818","0.006","90","","2807.9","0.3","380","","380","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1831","0.0743","","","0.1784","0.2334","","","","","","0.996","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557506","14.987","0.003","16.858","0.003","17.478","0.004","116.53","0.03","107.31","0.03","93.21","0.03","3679","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0511","0.0431","","","0.1265","0.1324","","","","","","1.027","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557507","13.914","0.003","20.891","0.004","21.446","0.004","71.94","0.03","87.87","0.03","81.2","0.03","5857","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0644","0.0525","","","0.1555","0.1633","","","","","","1.139","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557508","14.0177","0.0005","28.7314","0.0008","17.0738","0.0006","90","","110.611","0.004","90","","6436.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H84 Cu4 N4 O24 -","- C116 H84 Cu4 N4 O24 -","- C232 H168 Cu8 N8 O48 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","MoKα","","0.0879","0.055","","","0.1362","0.1518","","","","","","1.028","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557509","25.8186","0.0007","22.6806","0.0006","27.2079","0.0006","90","","109.69","0.003","90","","15000.9","0.7","150","2","150","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C53 H31 Cu2 N O12 -","- C53 H31 Cu2 N O12 -","- C424 H248 Cu16 N8 O96 -","8","1","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","x-ray","0.71073","MoKα","","0.1244","0.0758","","","0.2011","0.2289","","","","","","1.035","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557510","19.687","0.004","28.163","0.006","10.475","0.002","90","","97.91","0.03","90","","5753","2","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C106 H60 Cu4 O24 -","- C106 H60 Cu4 O24 -","- C212 H120 Cu8 O48 -","2","0.25","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0469","0.0429","","","0.1188","0.1216","","","","","","1.054","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557511","14.151","0.003","32.563","0.007","26.766","0.005","90","","102.26","0.03","90","","12052","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Cu4 O24 S4 -","- C108 H72 Cu4 O24 S4 -","- C432 H288 Cu16 O96 S16 -","4","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0892","0.0714","","","0.2226","0.2406","","","","","","1.053","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557512","20.979","0.004","21.168","0.004","23.76","0.005","90","","108.37","0.03","90","","10014","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H124 Cu4 N12 O20 -","- C168 H124 Cu4 N12 O20 -","- C336 H248 Cu8 N24 O40 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.1807","0.122","","","0.3456","0.3929","","","","","","1.024","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557513","8.613","0.0019","17.7","0.008","9.511","0.002","90","","90","","90","","1450","0.8","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H21 N2 O0.1 P -","- C16 H21 N2 O0.1 P -","- C64 H84 N8 O0.4 P4 -","4","0.5","","Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei","Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications","Chemical Science","2020","11","14","3672","3679","10.1039/C9SC05883D","","x-ray","1.54184","CuKα","","0.1359","0.1192","","","0.3078","0.3238","","","","","","1.152","","","","has coordinates,has disorder","257354","2020-10-21","18:00:00",""
"1557514","7.0581","0.0005","11.6424","0.0007","9.2407","0.0006","90","","103.046","0.007","90","","739.74","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C7 H3 K N O4 -","- C7 H3 K N O4 -","- C28 H12 K4 N4 O16 -","4","0.5","","Li, Chao; Wang, Kuaibing; Li, Jingze; Zhang, Qichun","Nanostructured potassium-organic framework as an effective anode for potassium-ion batteries with a long cycle life.","Nanoscale","2020","12","14","7870","7874","10.1039/d0nr00964d","","","0.71073","MoKα","","0.0413","0.0348","","","0.0916","0.0984","","","","","","1.212","","","","has coordinates","251678","2020-10-21","18:00:00",""
"1557515","11.098","0.002","11.0981","0.0009","42.151","0.008","91.082","0.009","97.39","0.01","115.846","0.008","4617.1","1.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H110 Li4 N6 O18 -","- C102 H110 Li4 N6 O18 -","- C204 H220 Li8 N12 O36 -","2","1","","Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Lemouchi, Cyprien; Allain, Magali; Zorina, Leokadiya; Batail, Patrick","Nanoscale rotational dynamics of four independent rotators confined in crowded crystalline layers.","Nanoscale","2020","12","15","8294","8302","10.1039/d0nr00858c","","x-ray","0.71073","MoKα","","0.1252","0.0735","","","0.1832","0.2109","","","","","","1.013","","","","has coordinates,has disorder","251679","2020-10-21","18:00:00",""
"1557516","9.4559","0.0003","12.8405","0.0004","8.9638","0.0003","90","","111.445","0.001","90","","1013.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","HB4340","Lough, Alan J.; Pounder, Austin; Wicks, Christopher; Tam, William","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","IUCrData","2020","5","3","x200288","","10.1107/S2414314620002886","","","0.71073","MoKα","","0.0413","0.035","","","0.093","0.0996","","","","","","1.065","","","","has coordinates,has Fobs","249118","2020-10-21","18:00:00",""
"1557517","9.3106","0.0011","8.7232","0.0008","13.4776","0.0012","90","","91.959","0.008","90","","1093.99","0.19","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Nonacyclo[9.7.7.7^2,10^.0^1,11^.0^2,10^.0^3,8^.0^12,17^.0^19,24^.0^26,31^]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","0.5","RZ4037","Detert, Heiner; Jacobs, Nina; Schollmeyer, Dieter","The head-to-head photodimer of indenoindene","IUCrData","2020","5","3","x200307","","10.1107/S2414314620003077","","","0.71073","MoKα","","0.1164","0.0607","","","0.1665","0.196","","","","","","0.973","","","","has coordinates,has Fobs","249119","2020-10-21","18:00:00",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","249120","2020-10-21","18:00:00",""
"1557519","16.7781","0.0017","16.3902","0.0018","4.7894","0.0005","90","","90","","90","","1317.1","0.2","293","1","293","1","","","","","","","","4","P m n 21","P 2ac -2","31","","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","0.5","GG4004","Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","IUCrData","2020","5","3","x200281","","10.1107/S2414314620002813","","x-ray","0.71073","MoKα","","0.0928","0.048","","","0.0843","0.1007","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249121","2020-10-21","18:00:00",""
"1557522","7.72414","0.00016","9.75163","0.00017","26.1754","0.0004","90","","90","","90","","1971.61","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O11 -","- C19 H20 O11 -","- C76 H80 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0383","0.0379","","","0.1003","0.1008","","","","","","1.07","","","","has coordinates","249148","2020-10-21","18:00:00",""
"1557523","8.1135","0.001","9.1532","0.0013","11.5337","0.0014","79.165","0.011","79.443","0.01","80.1","0.011","818.61","0.19","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O9 -","- C17 H16 O9 -","- C34 H32 O18 -","2","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0815","0.07","","","0.1822","0.1886","","","","","","1.045","","","","has coordinates","249149","2020-10-21","18:00:00",""
"1557524","8.40725","0.00014","9.73467","0.00014","25.8797","0.0004","90","","90","","90","","2118.04","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O11 -","- C20 H24 O11 -","- C80 H96 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0355","0.033","","","0.0825","0.0838","","","","","","1.126","","","","has coordinates","249150","2020-10-21","18:00:00",""
"1557525","9.1273","0.0005","9.5041","0.0006","12.0575","0.0009","107.857","0.006","90.985","0.005","111.419","0.005","916.9","0.12","200","0.1","200","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O11 -","- C18 H18 O11 -","- C36 H36 O22 -","2","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","0.71073","MoKα","","0.0612","0.0467","","","0.107","0.116","","","","","","1.042","","","","has coordinates","249151","2020-10-21","18:00:00",""
"1557526","7.624","0.0002","9.8567","0.0003","26.9415","0.0015","90","","90","","90","","2024.59","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O11 -","- C20 H22 O11 -","- C80 H88 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0474","0.0366","","","0.0815","0.0854","","","","","","0.972","","","","has coordinates","249152","2020-10-21","18:00:00",""
"1557527","17.5499","0.0006","9.7031","0.0004","8.6354","0.0003","90","","95.615","0.003","90","","1463.45","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O10 -","- C15 H16 O10 -","- C60 H64 O40 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0487","0.042","","","0.1122","0.1157","","","","","","1.002","","","","has coordinates","249153","2020-10-21","18:00:00",""
"1557528","13.126","0.004","25.198","0.007","30.034","0.008","113.698","0.004","101.194","0.004","90.634","0.004","8879","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H72 Cd Mo12 N6 O68 P8 Zn2 -","- C39 H54 Cd Mo12 N6 O62 P8 Zn2 -","- C156 H216 Cd4 Mo48 N24 O248 P32 Zn8 -","4","2","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0798","0.0601","","","0.1644","0.1838","","","","","","1.044","","","","has coordinates","257209","2020-10-21","18:00:00",""
"1557529","21.0842","0.0006","18.3743","0.0005","21.9022","0.0006","90","","100.716","0.003","90","","8337.1","0.4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C104 H96 Cd4.8 Co3.2 Mo48 N16 Na16 O276 P32 -","4","0.5","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0494","0.0429","","","0.1165","0.1205","","","","","","1.039","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557530","15.882","0.0018","21.676","0.002","25.338","0.003","90","","94.559","0.002","90","","8695.2","1.6","296","2","296","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C65 H116 Al2 Cd2 Mo24 N10 O137 P16 -","- C65 H86 Al2 Cd2 Mo24 N10 O137 P16 -","- C130 H172 Al4 Cd4 Mo48 N20 O274 P32 -","2","1","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0374","0.0334","","","0.0883","0.0925","","","","","","1.057","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557531","13.699","0.0007","13.699","0.0007","9.5293","0.0005","90","","90","","90","","1788.29","0.16","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 N O10 W -","- C21 Al F36 N O10 W -","- C42 Al2 F72 N2 O20 W2 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0236","0.0235","","","0.0734","0.0735","","","","","","1.126","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557532","17.285","0.003","17.285","0.003","17.285","0.003","90","","90","","90","","5164.3","1.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 Mo O12 -","- C30 Al2 F55 Mo O12 -","- C120 Al8 F220 Mo4 O48 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0671","0.0537","","","0.1469","0.1549","","","","","","1.191","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557533","13.759","0.0006","13.759","0.0006","9.5821","0.0007","90","","90","","90","","1813.99","0.17","373","2","373","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C22 Al F36 Mo O10 -","- C22 Al F36 Mo O10 -","- C44 Al2 F72 Mo2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0412","0.038","","","0.0932","0.0951","","","","","","1.114","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557534","17.3168","0.0003","17.3168","0.0003","17.3168","0.0003","90","","90","","90","","5192.82","0.16","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 O12 W -","- C30 Al2 F55 O12 W -","- C120 Al8 F220 O48 W4 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0822","0.0762","","","0.1448","0.1474","","","","","","1.375","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557535","13.7152","0.0003","13.7152","0.0003","9.5418","0.0003","90","","90","","90","","1794.88","0.08","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 Mo N O10 -","- C21 Al F36 Mo N O10 -","- C42 Al2 F72 Mo2 N2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0242","0.0226","","","0.0555","0.0565","","","","","","1.029","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557536","11.5888","0.0008","11.5986","0.0008","12.7755","0.0008","82.965","0.002","67.136","0.002","87.863","0.002","1570.27","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","1","0.5","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0274","0.0242","","","0.0532","0.0548","","","","","","0.993","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557537","11.3269","0.0006","12.2795","0.0006","23.4349","0.0011","76.883","0.001","86.161","0.001","66.485","0.001","2909.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 Al2 Cl3 F55 O14 W2 -","- C32 Al2 Cl3 F55 O14 W2 -","- C64 Al4 Cl6 F110 O28 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.026","0.019","","","0.0382","0.0406","","","","","","1.034","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557538","13.9703","0.0004","28.8124","0.0009","20.6169","0.0006","90","","90.443","0.001","90","","8298.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 Al2 F72 I3 Mo3 O22 -","- C46 Al2 F72 I3 Mo3 O22 -","- C184 Al8 F288 I12 Mo12 O88 -","4","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0418","0.034","","","0.0837","0.0884","","","","","","1.06","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557539","10.5119","0.0007","12.5617","0.0008","21.1226","0.0015","85.595","0.002","76.545","0.003","78.485","0.002","2656.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 Al2 F55 I O12 W -","- C30 Al2 F55 I O12 W -","- C60 Al4 F110 I2 O24 W2 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0615","0.0424","","","0.0867","0.0933","","","","","","1.061","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557540","15.848","0.003","17.229","0.003","22.395","0.004","94.072","0.003","102.24","0.003","101.653","0.003","5811.1","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 Al4 F128 O26 W2 -","- C68.004 Al4 F128.009 O26.001 W2 -","- C136.008 Al8 F256.018 O52.002 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0519","0.0303","","","0.0611","0.0698","","","","","","1.018","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557541","16.438","0.0006","28.3511","0.001","17.5878","0.0006","90","","110.764","0.002","90","","7664.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 Al F36 I O10 W -","- C22 Al F36 I O10 W -","- C176 Al8 F288 I8 O80 W8 -","8","2","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0503","0.0427","","","0.1162","0.1208","","","","","","1.054","","","","has coordinates","274176","2022-03-31","10:10:29",""
"1557542","13.385","0.0011","21.4285","0.0017","31.305","0.003","85.822","0.003","81.782","0.003","83.84","0.003","8820.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 Al6 F165 I6 Mo6 O42 -","- C96 Al6 F165 I6 Mo6 O42 -","- C192 Al12 F330 I12 Mo12 O84 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.1007","0.0698","","","0.1668","0.1822","","","","","","1.102","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557543","16.2198","0.0007","10.77","0.0006","28.9971","0.0015","90","","96.1","0.004","90","","5036.7","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 N2 O -","- C57 H88 N2 O -","- C228 H352 N8 O4 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1485","0.0785","","","0.1626","0.1945","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557544","12.8246","0.0002","21.5786","0.0003","24.2161","0.0003","90","","103.493","0.001","90","","6516.52","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Mg2 N8 -","- C71 H94 Mg2 N8 -","- C284 H376 Mg8 N32 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0565","0.0518","","","0.1362","0.1398","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557545","12.4858","0.0002","12.0704","0.0002","31.1338","0.0005","90","","92.762","0.001","90","","4686.68","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Mg2 N6 -","- C49 H60 Mg2 N6 -","- C196 H240 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0717","0.0634","","","0.1522","0.1572","","","","","","1.038","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557546","18.2067","0.0001","26.3297","0.0001","25.8355","0.0002","90","","105.806","0.001","90","","11916.7","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C137.5 H189.63 I0.04 Mg2 N4 O0.13 -","- C137.5 H189.63 I0.034 Mg2 N4 O0.13 -","- C550 H758.52 I0.136 Mg8 N16 O0.52 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0774","0.0679","","","0.1816","0.1881","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557547","15.1058","0.0002","19.0783","0.0002","20.0582","0.0002","85.762","0.001","88.909","0.001","66.998","0.001","5306.17","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H144 Mg4 N12 O4 -","- C117 H144 Mg4 N12 O4 -","- C234 H288 Mg8 N24 O8 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0672","0.0593","","","0.1696","0.1771","","","","","","1.026","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557548","18.7699","0.0003","15.7829","0.0002","22.8274","0.0004","90","","109.172","0.002","90","","6387.4","0.19","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H86 Mg2 N8 -","- C70 H86 Mg2 N8 -","- C280 H344 Mg8 N32 -","4","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0425","0.04","","","0.1086","0.1105","","","","","","1.046","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557549","18.7194","0.0002","11.3129","0.0001","26.0645","0.0003","90","","103.791","0.001","90","","5360.57","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 Mg2 N6 -","- C57 H76 Mg2 N6 -","- C228 H304 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0583","0.0505","","","0.1395","0.1504","","","","","","1.085","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557550","10.437","0.0002","14.8235","0.0004","18.7188","0.0005","84.547","0.002","75.886","0.002","71.426","0.002","2661.85","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H87 I Mg N2 O -","- C57 H87 I Mg N2 O -","- C114 H174 I2 Mg2 N4 O2 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0451","0.0375","","","0.0951","0.0994","","","","","","1.049","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557551","17.919","0.0006","19.6004","0.0009","20.9467","0.0007","79.292","0.003","75.685","0.003","86.86","0.003","7004","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C151 H208 Mg4 N12 O6 -","- C151 H208 Mg4 N12 O6 -","- C302 H416 Mg8 N24 O12 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1648","0.09","","","0.255","0.3129","","","","","","1.042","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557552","15.48","0.003","15.114","0.003","27.505","0.006","90","","103.08","0.03","90","","6268","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H184 Mg4 N12 O12 -","- C102 H120 Mg4 N12 O4 -","- C204 H240 Mg8 N24 O8 -","2","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.7109","Synchrotron","","0.2102","0.1035","","","0.2942","0.3675","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557553","10.85","0.002","31.002","0.006","11.243","0.002","90","","96.637","0.003","90","","3756.5","1.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-1,4-bis(4-iodophenyl)cyclohex-2-ene-1,4-diol","","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","1","0.5","","Pavlović, Dražen; Cohen, Shmuel","Controlled synthesis of unsubstituted high molecular weight poly(para-phenylene) via Suzuki polycondensation-thermal aromatization methodology","Polymer Chemistry","2020","11","14","2550","2558","10.1039/D0PY00001A","","","0.71073","MoKα","","0.0312","0.0302","","","0.0905","0.0911","","","","","","1.093","","","","has coordinates","257944","2020-10-21","18:00:00",""
"1557560","6.5584","0.0003","27.8708","0.0012","7.1955","0.0003","90","","110.371","0.001","90","","1232.99","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 Cd0.96 Cu0.04 N6 O18 S2 -","- C8 H32 Cd0.962 Cu0.038 N6 O18 S2 -","- C16 H64 Cd1.924 Cu0.076 N12 O36 S4 -","2","0.5","","Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline","Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c00004","","","0.7288","synchrotron","","0.0267","0.0218","","","0.0563","0.0582","","","","","","1.059","","","","has coordinates","249213","2020-10-21","18:00:00",""
"1557561","6.5282","0.0002","27.7012","0.0009","7.1557","0.0002","90","","110.584","0.001","90","","1211.42","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 Cd0.96 Cu0.04 N6 O18 S2 -","- C8 H32 Cd0.965 Cu0.035 N6 O18 S2 -","- C16 H64 Cd1.93 Cu0.07 N12 O36 S4 -","2","0.5","","Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline","Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c00004","","","0.7288","synchrotron","","0.0243","0.0237","","","0.0576","0.0582","","","","","","1.154","","","","has coordinates","249214","2020-10-21","18:00:00",""
"1557562","14.5564","0.0011","33.71","0.003","14.6416","0.0011","90","","94.219","0.001","90","","7165.1","1","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H76 Ag3 Cl2 Cu2 P S6 -","- C73 H76 Ag3 Cl2 Cu2 P S6 -","- C292 H304 Ag12 Cl8 Cu8 P4 S24 -","4","1","","Anumula, Rajini; Xiao, Pin; Cui, Chaonan; Wu, Haiming; Cui, Ganglong; Fang, Wei-Hai; Luo, Zhixun; Yao, Jiannian","A small bimetallic Ag<sub>3</sub>Cu<sub>2</sub> nanocluster with dual emissions within and against Kasha's rule.","Nanoscale","2020","12","14","7864","7869","10.1039/d0nr00471e","","","0.71073","MoKα","","0.0529","0.0494","","","0.1095","0.1117","","","","","","1.134","","","","has coordinates","251677","2020-10-21","18:00:00",""
"1557567","12.309","0.004","12.652","0.004","12.944","0.005","106.387","0.006","109.432","0.006","104.59","0.006","1685.3","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H34 B F2 N3 -","- C45 H34 B F2 N3 -","- C90 H68 B2 F4 N6 -","2","1","","Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng","Color-Tunable Delayed Fluorescence and Efficient Spin‒Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11687","","","0.71073","MoKα","","0.1307","0.0737","","","0.2111","0.2341","","","","","","1.027","","","","has coordinates","249242","2020-10-21","18:00:00",""
"1557568","14.2619","0.0008","14.8156","0.0008","18.7795","0.001","84.988","0.001","86.27","0.001","80.923","0.001","3898.1","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 B Cl2 F2 N3 O0.5 -","- C46 H37 B Cl2 F2 N3 O0.5 -","- C184 H148 B4 Cl8 F8 N12 O2 -","4","2","","Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng","Color-Tunable Delayed Fluorescence and Efficient Spin–Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11687","","","0.71073","MoKα","","0.1995","0.1185","","","0.3481","0.3961","","","","","","1.289","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1557569","14.7132","0.0019","20.895","0.003","7.2659","0.0009","90","","97.143","0.002","90","","2216.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B F2 N2 -","- C27 H23 B F2 N2 -","- C108 H92 B4 F8 N8 -","4","0.5","","Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng","Color-Tunable Delayed Fluorescence and Efficient Spin‒Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11687","","","0.71073","MoKα","","0.0946","0.0523","","","0.1415","0.1704","","","","","","1.028","","","","has coordinates","249244","2020-10-21","18:00:00",""
"1557570","8.27","0.0008","9.1848","0.0009","12.4194","0.0012","71.619","0.005","82.065","0.005","79.191","0.005","876.19","0.15","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0791","0.0604","","","0.1568","0.1734","","","","","","1.053","","","","has coordinates","257348","2020-10-21","18:00:00",""
"1557571","10.9162","0.0011","11.3807","0.0011","31.809","0.003","90","","90","","90","","3951.8","0.7","150","2","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 N4 O11 -","- C44 H44 N4 O11 -","- C176 H176 N16 O44 -","4","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0762","0.0591","","","0.1526","0.1645","","","","","","1.063","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557572","9.2321","0.0019","18.768","0.004","18.876","0.004","90","","93.72","0.03","90","","3263.7","1.2","190","2","190.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","exo,exo-7-oxa-5-norbornene-2,3-dicarboxylic acid","","- C8 H8 O5 -","- C8 H8 O5 -","- C128 H128 O80 -","16","8","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.1096","0.0584","","","0.1352","0.1632","","","","","","1.023","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557573","12.2712","0.0007","11.2934","0.0006","10.8984","0.0007","90","","112.565","0.002","90","","1394.71","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","HB4341","Lough, Alan J.; Koh, Samuel; Tam, William","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","IUCrData","2020","5","3","x200315","","10.1107/S2414314620003156","","","0.71073","MoKα","","0.0643","0.0396","","","0.0944","0.1099","","","","","","1.035","","","","has coordinates,has Fobs","249276","2020-10-21","18:00:00",""
"1557580","6.4901","0.0002","13.5853","0.0004","17.2054","0.0006","90","","90","","90","","1517","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 O3 S -","- C15 H12 N4 O3 S -","- C60 H48 N16 O12 S4 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0369","0.0332","","","0.0885","0.0922","","","","","","1.055","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557581","6.2023","0.0002","15.1707","0.0004","23.3424","0.0007","90","","90","","90","","2196.36","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0508","0.0391","","","0.1005","0.1092","","","","","","1.046","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557582","7.6364","0.0001","11.6851","0.0002","11.5473","0.0002","90","","104.259","0.002","90","","998.65","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br2 N4 O3 -","- C18 H14 Br2 N4 O3 -","- C36 H28 Br4 N8 O6 -","2","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1042","0.1061","","","","","","1.059","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557583","10.3148","0.0002","11.9114","0.0003","14.6673","0.0003","90","","90","","90","","1802.08","0.07","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F N4 O3 -","- C19 H15 F N4 O3 -","- C76 H60 F4 N16 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","1.54178","CuKα","","0.0747","0.0691","","","0.2196","0.2314","","","","","","1.048","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557584","6.6447","0.0005","14.3101","0.0011","22.5008","0.0017","90","","90","","90","","2139.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0682","0.043","","","0.0935","0.1084","","","","","","0.996","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557585","18.1194","0.0003","20.3557","0.0003","43.9834","0.0007","90","","90","","90","","16222.5","0.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C37 H61 Eu N8 O15 -","- C37 H47 Eu N8 O15 -","- C592 H752 Eu16 N128 O240 -","16","0.5","","Hewitt, Sarah H.; Macey, Georgina; Mailhot, Romain; Elsegood, Mark R. J.; Duarte, Fernanda; Kenwright, Alan M.; Butler, Stephen J.","Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array","Chemical Science","2020","11","14","3619","3628","10.1039/D0SC00343C","","","0.71073","MoKα","","0.0487","0.0461","","","0.114","0.1153","","","","","","1.296","","","","has coordinates,has disorder","257355","2020-10-21","18:00:00",""
"1557586","5.8675","0.0003","12.4208","0.0007","24.4967","0.0014","90","","90","","90","","1785.3","0.17","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br Cl0 N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Shen, Bin; He, Qianwen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed enantioselective aza-Piancatelli rearrangement/Diels‒Alder cascade reaction","Chemical Science","2020","11","15","3862","3867","10.1039/D0SC00542H","","","0.71073","MoKα","","0.0374","0.03","","","0.066","0.0705","","","","","","1.04","","","","has coordinates","257386","2020-10-21","18:00:00",""
"1557587","6.732","0.0007","7.228","0.0006","12.0162","0.0017","80.831","0.011","86.517","0.011","62.902","0.008","513.81","0.11","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Br N O -","- C11 H10 Br N O -","- C22 H20 Br2 N2 O2 -","2","1","","Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi","Chromium-catalyzed cyclopropanation of alkenes with bromoform in the presence of 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-dihydropyrazine","Chemical Science","2020","11","14","3604","3609","10.1039/D0SC00964D","","","0.71075","MoKα","","0.0327","0.0286","","","0.0684","0.069","","","","","","0.988","","","","has coordinates","257357","2020-10-21","18:00:00",""
"1557594","9.5079","0.0007","32.3832","0.0014","13.8528","0.0012","90","","110.045","0.01","90","","4006.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Co N4 O4 -","- C16 H22 Cl2 Co N4 O4 -","- C128 H176 Cl16 Co8 N32 O32 -","8","2","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.062","0.05","","","0.1143","0.1215","","","","","","1.073","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557595","12.2832","0.0008","7.3066","0.0005","22.5865","0.0014","90","","95.779","0.006","90","","2016.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 Co N4 O4 -","- C17 H22 Cl2 Co N4 O4 -","- C68 H88 Cl8 Co4 N16 O16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0621","0.0475","","","0.1157","0.1244","","","","","","1.049","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557596","9.8205","0.0009","14.0434","0.0011","26.706","0.002","90","","90","","90","","3683.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 B Cl Co N4 -","- C41 B Cl Co N4 -","- C164 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0925","0.0828","","","0.2308","0.2458","","","","","","1.111","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557597","16.0327","0.0009","10.7162","0.0006","22.6792","0.0012","90","","107.025","0.006","90","","3725.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 B Cl Co N4 -","- C43 H46 B Cl Co N4 -","- C172 H184 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0736","0.0453","","","0.0962","0.1096","","","","","","1.01","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557598","10.186","0.00006","11.3558","0.00007","15.5296","0.0001","90","","90","","90","","1796.31","0.019","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","1","","Zhang, Shuyue; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem sequential catalytic enantioselective synthesis of highly-functionalised tetrahydroindolizine derivatives","Chemical Science","2020","11","15","3885","3892","10.1039/D0SC00432D","","","1.54184","CuKα","","0.0374","0.0371","","","0.1016","0.102","","","","","","1.064","","","","has coordinates","257379","2020-10-21","18:00:00",""
"1557600","13.1908","0.0006","27.7405","0.0013","18.6474","0.0007","90","","92.509","0.002","90","","6816.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H75 Cl N2 Pd -","- C77 H75 Cl N2 Pd -","- C308 H300 Cl4 N8 Pd4 -","4","1","","Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","15","2692","2699","10.1039/D0PY00218F","","","1.54178","CuKα","","0.105","0.0602","","","0.126","0.1425","","","","","","1.043","","","","has coordinates,has disorder","257948","2020-10-21","18:00:00",""
"1557601","15.332","0.0014","36.69","0.003","14.7501","0.0013","90","","114.377","0.005","90","","7557.7","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H67 Cl F8 N2 Pd -","- C77 H67 Cl F8 N2 Pd -","- C308 H268 Cl4 F32 N8 Pd4 -","4","1","","Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","15","2692","2699","10.1039/D0PY00218F","","","0.71073","MoKα","","0.1897","0.116","","","0.2685","0.2977","","","","","","1.086","","","","has coordinates,has disorder","257948","2020-10-21","18:00:00",""
"1557603","17.4822","0.0003","9.78677","0.00016","20.9912","0.0004","90","","103.576","0.0017","90","","3491.13","0.11","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O2 S -","- C21 H17 N3 O2 S -","- C168 H136 N24 O16 S8 -","8","1","","Li, Guofeng; Zhao, Man; Xie, Junqiu; Yao, Ying; Mou, Lingyun; Zhang, Xiaowei; Guo, Xiaomin; Sun, Wangsheng; Wang, Zheng; Xu, Jiecheng; Xue, Jianzhong; Hu, Tao; Zhang, Ming; Li, Min; Hong, Liang","Efficient synthesis of cyclic amidine-based fluorophores via 6π-electrocyclic ring closure","Chemical Science","2020","11","14","3586","3591","10.1039/D0SC00798F","","x-ray","1.54184","CuKα","","0.0406","0.0369","","","0.0945","0.0982","","","","","","1.035","","","","has coordinates","257352","2020-10-21","18:00:00",""
"1557604","12.7105","0.001","28.115","0.002","8.1727","0.0007","90","","105.391","0.002","90","","2815.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 N2 O2 P2 U -","- C20 H44 Cl2 N2 O2 P2 U -","- C80 H176 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0541","0.0474","","","0.1391","0.1439","","","","","","1.091","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557605","14.48","0.002","14.59","0.002","12.5668","0.0018","90","","102.29","0.004","90","","2594.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl2 N2 O2 P2 U -","- C18 H40 Cl2 N2 O2 P2 U -","- C72 H160 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0776","0.0647","","","0.1935","0.2195","","","","","","1.125","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557606","16.3226","0.0016","22.813","0.002","14.7718","0.0015","90","","90","","90","","5500.5","0.9","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C160 H352 Cl16 N16 O16 P16 Pd8 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0554","0.0332","","","0.0685","0.0776","","","","","","1.013","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557607","12.663","0.0008","21.4809","0.0013","23.0838","0.0017","90","","99.354","0.002","90","","6195.6","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C176 H384 Cl16 N16 O24 P16 Pt12 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0439","0.0376","","","0.0948","0.0985","","","","","","1.066","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557608","11.3508","0.0018","12.914","0.002","20.597","0.004","90","","95.165","0.007","90","","3006.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C88 H192 Cl8 N8 Ni4 O12 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.1126","0.0977","","","0.2146","0.2235","","","","","","1.112","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557609","14.5223","0.0019","15.8953","0.0018","27.339","0.003","90","","103.728","0.003","90","","6130.6","1.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C176 H384 Cl16 N16 Ni8 O20 P16 U8 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0591","0.0465","","","0.1383","0.1495","","","","","","1.002","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557610","12.208","0.003","12.209","0.003","17.048","0.004","108.557","0.007","90.701","0.008","108.839","0.007","2261","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C80 H126 Cl4 N4 O6 P6 Pd2 U2 -","2","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0359","0.0344","","","0.094","0.0956","","","","","","1.042","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557611","9.942","0.002","22.986","0.005","26.512","0.005","90","","90","","90","","6059","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","24,27-Dibenzyl-15,18-bis(butan-2-yl)-12,21-bis(2-methylpropyl)-9-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^3,7^]tritriacontane-2,8,11,14,17,20,23,26,29-nonone dimethyl sulfoxide monosolvate","","- C59 H90 N9 O10 S -","- C59 H90 N9 O10 S -","- C236 H360 N36 O40 S4 -","4","1","LH4052","Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","IUCrData","2020","5","3","x200318","","10.1107/S2414314620003181","","","0.68882","synchrotron","","0.0446","0.0394","","","0.0977","0.1006","","","","","","1.038","","","","has coordinates,has Fobs","249390","2020-10-21","18:00:00",""
"1557612","9.434","0.0019","17.134","0.004","8.826","0.0018","90","","105.01","0.04","90","","1378","0.6","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","BH4051","Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","IUCrData","2020","5","3","","","10.1107/S2414314620003569","","","1.54184","CuKα","","0.052","0.0445","","","0.1177","0.123","","","","","","1.035","","","","has coordinates,has Fobs","249391","2020-10-21","18:00:00",""
"1557613","7.3975","0.0003","10.7485","0.0005","13.1441","0.0005","92.571","0.003","96.25","0.004","97.449","0.004","1028.29","0.08","292.1","0.3","292.1","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O5 S -","- C22 H28 O5 S -","- C44 H56 O10 S2 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","x-ray","1.54184","CuKα","","0.0507","0.0428","","","0.1155","0.1223","","","","","","1.047","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557614","7.6688","0.0003","22.4305","0.0006","15.4747","0.0005","90","","101.329","0.004","90","","2610.02","0.15","292.89","0.12","292.89","0.12","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro–Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0551","0.0456","","","0.1221","0.1371","","","","","","1.063","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557615","7.1285","0.0003","11.9273","0.0004","13.4833","0.0005","90","","104.629","0.004","90","","1109.24","0.08","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0457","0.0424","","","0.1158","0.1188","","","","","","1.062","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557616","7.2165","0.0003","8.3504","0.0003","11.317","0.0004","82.649","0.003","76.258","0.003","68.964","0.004","617.61","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0473","0.0447","","","0.1181","0.1208","","","","","","1.084","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557617","10.3539","0.0002","19.9619","0.0004","11.8443","0.0003","90","","113.384","0.003","90","","2246.95","0.1","295","0.1","295","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.046","0.0406","","","0.1095","0.1146","","","","","","1.033","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557618","9.961","0.0003","17.5295","0.0006","13.2899","0.0004","90","","101.667","0.003","90","","2272.62","0.13","295.3","0.2","295.3","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0666","0.0565","","","0.159","0.17","","","","","","1.046","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557619","7.2285","0.0005","7.2385","0.0005","13.7586","0.0011","102.192","0.007","99.616","0.006","104.149","0.006","663.91","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","","- C14 H11 Cl N2 O2 S -","- C14 H11 Cl N2 O2 S -","- C28 H22 Cl2 N4 O4 S2 -","2","1","HB4342","Narayan, Easha; Fu, Liangfeng; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","IUCrData","2020","5","3","","","10.1107/S241431462000382X","","","1.54184","CuKα","","0.0485","0.043","","","0.1069","0.1144","","","","","","1.041","","","","has coordinates,has Fobs","249477","2020-10-21","18:00:00",""
"1557620","7.0953","0.0008","8.931","0.0008","18.219","0.002","90","","95.49","0.009","90","","1149.2","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","","- C30 H22 N4 -","- C30 H22 N4 -","- C60 H44 N8 -","2","0.5","BT4090","Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","IUCrData","2020","5","3","","","10.1107/S2414314620003727","","","0.71073","MoKα","","0.0838","0.0434","","","0.0989","0.1104","","","","","","0.989","","","","has coordinates,has Fobs","249478","2020-10-21","18:00:00",""
"1557622","11.0648","0.0004","12.5473","0.0005","15.4261","0.0005","78.272","0.001","71.155","0.001","88.709","0.001","1982.39","0.13","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Cl N O3 P2 Pd -","- C35 H32 Cl N O3 P2 Pd -","- C70 H64 Cl2 N2 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0473","0.0463","","","0.1246","0.1257","","","","","","1.065","","","","has coordinates","257949","2020-10-21","18:00:00",""
"1557623","11.2563","0.0006","12.7674","0.0007","14.3032","0.0008","67.146","0.002","74.271","0.002","78.535","0.002","1813.12","0.17","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H35 Cl4 N3 O3 P2 Pd -","- C28 H35 Cl4 N3 O3 P2 Pd -","- C56 H70 Cl8 N6 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0589","0.0564","","","0.1462","0.1517","","","","","","1.041","","","","has coordinates,has disorder","257949","2020-10-21","18:00:00",""
"1557624","10.2352","0.0004","14.3325","0.0005","14.817","0.0005","65.248","0.001","83.2","0.001","79.814","0.001","1940.4","0.12","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H45 Cl4 N O3 P2 Pd -","- C38 H45 Cl4 N O3 P2 Pd -","- C76 H90 Cl8 N2 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0587","0.0542","","","0.1532","0.1606","","","","","","1.147","","","","has coordinates","257949","2020-10-21","18:00:00",""
"1557625","9.1199","0.0002","23.4191","0.0006","23.6083","0.0007","90","","90","","90","","5042.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound 1","","","- C48 H55 Au F6 N4 O11 S2 -","- C48 H55 Au F6 N4 O11 S2 -","- C192 H220 Au4 F24 N16 O44 S8 -","4","1","","Reid, Jolene P.; Hu, Mingyou; Ito, Susumu; Huang, Banruo; Hong, Cynthia M.; Xiang, Hengye; Sigman, Matthew S.; Toste, F. Dean","Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels‒Alder reactions","Chemical Science","2020","11","25","6450","6456","10.1039/D0SC00497A","","x-ray","0.71073","MoKα","","0.0424","0.0309","","","0.0512","0.0529","","","","","","1.033","","","","has coordinates","257338","2020-10-21","18:00:00",""
"1557626","20.9953","0.0003","20.9953","0.0003","20.9953","0.0003","90","","90","","90","","9254.8","0.2","100","0.1","100","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-217","MOF-217","","- C21 H9 N3 O6 Ti -","- C21 H9 N3 O6 Ti -","- C168 H72 N24 O48 Ti8 -","8","0.333333","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1243","0.114","","","0.3654","0.3772","","","","","","1.634","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557627","21.1222","0.0004","21.1222","0.0004","21.1222","0.0004","90","","90","","90","","9423.6","0.3","249.99","0.1","249.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C3.5 H1.5 N0.5 O Ti0.17 -","- C3.5 H1.5 N0.5 O Ti0.166667 -","- C168 H72 N24 O48 Ti8 -","48","2","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1201","0.1083","","","0.3521","0.3639","","","","","","1.534","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557628","21.1205","0.0003","21.1205","0.0003","21.1205","0.0003","90","","90","","90","","9421.3","0.2","199.99","0.1","199.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C H N O Ti -","- C1.28244 H0.549618 N0.183206 O0.366412 Ti0.0610687 -","- C168 H72 N24 O48 Ti8 -","131","5.45833","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1197","0.1096","","","0.3658","0.377","","","","","","1.624","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557631","12.1671","0.0008","5.4176","0.0004","16.7266","0.0011","90","","107.932","0.004","90","","1049","0.13","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl O6 -","- C23 H25 Cl O6 -","- C46 H50 Cl2 O12 -","2","1","","Wang, Weiyi; Yang, Jing; Liao, Yan-Yan; Cheng, Gang; Chen, Jing; Cheng, Xiang-Dong; Qin, Jiang-Jiang; Shao, Zongze","Cytotoxic Nitrogenated Azaphilones from the Deep-Sea-Derived Fungus Chaetomium globosum MP4-S01-7","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01165","","","1.54178","CuKα","","0.0757","0.062","","","0.1558","0.1701","","","","","","1.094","","","","has coordinates","249587","2020-10-21","18:00:00",""
"1557632","8.0895","0.0007","12.0696","0.001","14.0112","0.0012","100.514","0.005","104.24","0.005","108.18","0.005","1208.85","0.19","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O7 S -","- C25 H27 N O7 S -","- C50 H54 N2 O14 S2 -","2","1","","Winn, Blake A.; Devkota, Laxman; Kuch, Bunnarack; MacDonough, Matthew T.; Strecker, Tracy E.; Wang, Yifan; Shi, Zhe; Gerberich, Jeni L.; Mondal, Deboprosad; Ramirez, Alejandro J.; Hamel, Ernest; Chaplin, David J.; Davis, Peter; Mason, Ralph P.; Trawick, Mary Lynn; Pinney, Kevin G.","Bioreductively Activatable Prodrug Conjugates of Combretastatin A-1 and Combretastatin A-4 as Anticancer Agents Targeted toward Tumor-Associated Hypoxia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00773","","","0.71073","MoKα","","0.0771","0.0455","","","0.1098","0.1276","","","","","","1.023","","","","has coordinates","249588","2020-10-21","18:00:00",""
"1557633","7.3","0.005","11.867","0.008","15.598","0.009","78.16","0.04","80.45","0.04","88.78","0.05","1304.1","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H10 B Br F15 N -","- C26 H10 B Br F15 N -","- C52 H20 B2 Br2 F30 N2 -","2","1","","Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi","Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions","Chemical Science","2020","11","17","4305","4311","10.1039/D0SC01159B","","","0.71075","MoKα","","0.1239","0.0518","","","0.1073","0.1267","","","","","","0.834","","","","has coordinates","257319","2020-10-21","18:00:00",""
"1557634","9.6311","0.0006","19.6619","0.0013","13.541","0.0009","90","","106.977","0.001","90","","2452.5","0.3","193","2","193","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BIP_CH2NEt2","2-(3?,5?-Di-tert-butyl-2?-hydroxyphenyl)-4-diethylmethyleneaminebenzimidazole","","- C26 H37 N3 O -","- C26 H37 N3 O -","- C104 H148 N12 O4 -","4","1","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0831","0.0663","","","0.185","0.2005","","","","","","1.068","","","","has coordinates,has disorder","257385","2020-10-21","18:00:00",""
"1557635","33.136","0.004","6.8671","0.0008","30.967","0.004","90","","100.031","0.002","90","","6938.8","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diBIP-Imine-OMe","7-(4-Methoxyphenyliminomethyl-1H-benzimidazole-2-yl)-2-(3,5-di-tert-butyl-2-hydroxyphenyl-1-yl)-1H-benzimidazole","","- C73 H76 Cl2 N10 O4 -","- C73 H76 Cl2 N10 O4 -","- C292 H304 Cl8 N40 O16 -","4","0.5","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0977","0.0667","","","0.147","0.1607","","","","","","1.054","","","","has coordinates","257385","2020-10-21","18:00:00",""
"1557636","10.4608","0.0008","10.9006","0.001","12.5293","0.001","104.61","0.005","107.84","0.004","97.204","0.004","1283.78","0.19","150","2","149.72","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0211","0.018","","","0.0421","0.0433","","","","","","1.08","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557637","13.388","0.003","6.6366","0.0012","15.567","0.002","90","","98.599","0.014","90","","1367.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O7 Tb -","- C11 H10 N O7 Tb -","- C44 H40 N4 O28 Tb4 -","4","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0681","0.0369","","","0.0495","0.0552","","","","","","1.055","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557638","5.9915","0.0004","29.952","0.002","7.8574","0.0005","90","","95.092","0.002","90","","1404.5","0.16","296","2","296.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S2 -","- C15 H11 N O2 S2 -","- C60 H44 N4 O8 S8 -","4","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","","0.71073","MoKα","","0.0789","0.0615","","","0.1196","0.1252","","","","","","1.172","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557639","9.234","0.0003","9.723","0.0003","10.6174","0.0003","99.463","0.002","113.869","0.003","105.929","0.003","796.06","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 O3 S2 -","- C18 H15 O3 S2 -","- C36 H30 O6 S4 -","2","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1062","0.1067","","","","","","1.037","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557640","23.8898","0.0002","6.7617","0.0001","24.8099","0.0002","90","","102.215","0.001","90","","3916.95","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O3 S2 -","- C30 H27 Br O3 S2 -","- C180 H162 Br6 O18 S12 -","6","3","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0385","0.037","","","0.0959","0.0971","","","","","","1.043","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557643","14.9205","0.0004","16.8222","0.0004","22.8584","0.0006","86.207","0.001","74.171","0.001","76.595","0.001","5369.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl N Pd -","- C3.61404 H4.42105 Cl0.0350877 N0.0701754 Pd0.0350877 -","- C206 H252 Cl2 N4 Pd2 -","57","28.5","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Chen, Changle","Direct Synthesis of Polar Functionalized Polyethylene Thermoplastic Elastomer","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00083","","","0.71073","MoKα","","0.0729","0.0634","","","0.1577","0.1632","","","","","","0.829","","","","has coordinates,has disorder","249638","2020-10-21","18:00:00",""
"1557644","22.436","0.004","22.436","0.004","38.165","0.008","90","","90","","90","","19211","6","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C112 H192 In26 Mn4 N32 S51 -","- In26 Mn4 S51 -","- In104 Mn16 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.0946","0.0514","","","0.1645","0.2018","","","","","","1.175","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557645","22.329","0.002","22.329","0.002","38.059","0.003","90","","90","","90","","18976","3","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C112 H192 Fe4 In26 N32 O0 S51 -","- Fe4 In26 S51 -","- Fe16 In104 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.1319","0.0827","","","0.2055","0.264","","","","","","1.326","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557646","8.9606","0.0003","9.9217","0.0004","11.8105","0.0004","72.29","0.003","88.75","0.003","63.972","0.004","891.12","0.07","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhao, Qiang; Jin, Ji-Kang; Wang, Jie; Zhang, Feng-Lian; Wang, Yi-Feng","Radical α-addition involved electrooxidative [3 + 2] annulation of phenols and electron-deficient alkenes","Chemical Science","2020","11","15","3909","3913","10.1039/D0SC01078B","","","1.54184","CuKα","","0.0312","0.0299","","","0.0782","0.0795","","","","","","1.047","","","","has coordinates","257382","2020-10-21","18:00:00",""
"1557647","11.3991","0.0007","63.596","0.003","13.7285","0.0008","90","","92.383","0.002","90","","9943.7","1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Ho Li3 O6 -","- C54 H72 Fe3 Ho Li3 O6 -","- C432 H576 Fe24 Ho8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1061","0.0848","","","0.1426","0.1511","","","","","","1.224","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557648","11.3774","0.0012","63.872","0.007","13.7293","0.0015","90","","92.491","0.004","90","","9967.6","1.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Gd Li3 O6 -","- C54 H72 Fe3 Gd Li3 O6 -","- C432 H576 Fe24 Gd8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0802","0.0685","","","0.1267","0.1323","","","","","","1.274","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557649","11.4155","0.0006","63.489","0.003","13.73","0.0007","90","","92.17","0.002","90","","9943.8","0.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Yb -","- C54 H72 Fe3 Li3 O6 Yb -","- C432 H576 Fe24 Li24 O48 Yb8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0862","0.0774","","","0.1571","0.1617","","","","","","1.294","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557650","11.3389","0.0004","13.7172","0.0005","36.2329","0.0012","90","","95.344","0.001","90","","5611.1","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Fe3 Ho Li3 O6 -","- C60 H84 Fe3 Ho Li3 O6 -","- C240 H336 Fe12 Ho4 Li12 O24 -","4","1","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0998","0.0931","","","0.1648","0.1666","","","","","","1.353","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557651","21.206","0.0009","22.6446","0.001","23.1321","0.0011","90","","90","","90","","11108.1","0.9","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64.38 H58.38 Fe3 Ho Li3 N6.88 -","- C64.375 H58.375 Fe3 Ho Li3 N6.875 -","- C515 H467 Fe24 Ho8 Li24 N55 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.092","0.0494","","","0.0932","0.1135","","","","","","1.018","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557652","11.4149","0.0016","63.246","0.009","13.743","0.0019","90","","92.282","0.004","90","","9914","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 Lu O6 -","- C54 H72 Fe3 Li3 Lu O6 -","- C432 H576 Fe24 Li24 Lu8 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0749","0.0666","","","0.1537","0.1603","","","","","","1.125","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557653","11.4199","0.0015","63.606","0.008","13.7467","0.0019","90","","92.28","0.003","90","","9977","2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Tm -","- C54 H72 Fe3 Li3 O6 Tm -","- C432 H576 Fe24 Li24 O48 Tm8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0404","0.04","","","0.0919","0.092","","","","","","1.409","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557654","11.4007","0.0011","63.598","0.006","13.7293","0.0014","90","","92.262","0.004","90","","9946.8","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Er Fe3 Li3 O6 -","- C54 H72 Er Fe3 Li3 O6 -","- C432 H576 Er8 Fe24 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0567","0.0493","","","0.0938","0.0967","","","","","","1.265","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557655","20.62","0.003","32.856","0.004","25.081","0.004","90","","104.923","0.01","90","","16419","4","120","","120","","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C58 H80 Fe3 Li3 Lu O7 -","- C58 H80 Fe3 Li3 Lu O7 -","- C696 H960 Fe36 Li36 Lu12 O84 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1014","0.0876","","","0.2237","0.2475","","","","","","1.024","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557656","28.077","0.003","32.756","0.004","20.619","0.002","90","","120.475","0.002","90","","16343","3","110","","110","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H80 Fe3 Li3 O7 Yb -","- C58 H80 Fe3 Li3 O7 Yb -","- C696 H960 Fe36 Li36 O84 Yb12 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0485","0.0414","","","0.0963","0.1054","","","","","","1.109","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557657","24.3967","0.0005","24.77","0.0005","18.4252","0.0003","90","","108.384","0.001","90","","10566.2","0.4","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H130 Au4 B Cu5 P4 S6 -","- C110 H130 Au4 B Cu5 P4 S6 -","- C440 H520 Au16 B4 Cu20 P16 S24 -","4","0.5","","Zhou, Manman; Jin, Shan; Wei, Xiao; Yuan, Qianqin; Wang, Shuxin; Du, Yuanxin; Zhu, Manzhou","Reversible Cu‒S Motif Transformation and Au4 Distortion via Thiol Ligand Exchange Engineering","The Journal of Physical Chemistry C","2020","124","13","7531","7538","10.1021/acs.jpcc.0c00204","","","1.54186","CuKα","","0.0486","0.0388","","","0.0964","0.1017","","","","","","1.011","","","","has coordinates,has disorder","257157","2020-10-21","18:00:00",""
"1557658","13.612","0.003","13.537","0.002","14.409","0.003","90","","109.931","0.006","90","","2496.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl10 Fe4 N6 O9 -","- C36 H46 Cl10 Fe4 N6 O9 -","- C72 H92 Cl20 Fe8 N12 O18 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0979","0.0867","","","0.2206","0.2273","","","","","","1.116","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557659","11.8719","0.0006","16.9617","0.0008","9.4064","0.0005","90","","102.136","0.002","90","","1851.81","0.16","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl4 Fe2 N6 O10 -","- C32 H40 Cl4 Fe2 N6 O10 -","- C64 H80 Cl8 Fe4 N12 O20 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0639","0.0487","","","0.11","0.1185","","","","","","1.04","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557660","5.5195","0.0011","9.4058","0.0019","26.283","0.005","90","","90.84","0.03","90","","1364.3","0.5","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","LQ5027","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","","0.71073","MoKα","","0.0808","0.0573","","","0.1826","0.2351","","","","","","1.024","","","","has coordinates","249730","2020-10-21","18:00:00",""
"1557661","5.4671","0.0003","9.2806","0.0005","29.827","0.0014","90","","94.449","0.004","90","","1508.8","0.14","128.15","","128.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","x-ray","0.71073","MoKα","","0.0688","0.0479","","","0.114","0.1302","","","","","","1.04","","","","has coordinates","249730","2020-10-21","18:00:00",""
"1557662","11.5309","0.0004","7.674","0.0003","21.8978","0.0014","90","","90","","90","","1937.7","0.16","100.2","1","100.2","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 B N O3 -","- C9 H12 B N O3 -","- C72 H96 B8 N8 O24 -","8","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0883","0.076","","","0.2048","0.2302","","","","","","1.0643","","","","has coordinates","249761","2020-10-21","18:00:00",""
"1557663","4.98445","0.00016","24.1243","0.0007","7.0635","0.0002","90","","98.767","0.003","90","","839.44","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 B N O3 -","- C8 H10 B N O3 -","- C32 H40 B4 N4 O12 -","4","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0407","0.036","","","0.0917","0.0948","","","","","","1.0645","","","","has coordinates","249762","2020-10-21","18:00:00",""
"1557664","7.1663","0.0005","9.8589","0.0005","9.865","0.0006","90","","100.286","0.007","90","","685.78","0.07","100","0.1","100","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0605","0.0563","","","0.1491","0.1554","","","","","","1.043","","","","has coordinates","249763","2020-10-21","18:00:00",""
"1557665","9.859","0.003","11.493","0.003","15.268","0.005","100.424","0.003","106.364","0.003","93.104","0.004","1622.4","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N4 O7 Zn -","- C31 H38 N4 O7 Zn -","- C62 H76 N8 O14 Zn2 -","2","1","","Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw","Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11057","","","0.71075","MoKα","","0.0753","0.0567","","","0.1559","0.1709","","","","","","1.065","","","","has coordinates","249764","2020-10-21","18:00:00",""
"1557666","11.8682","0.0004","11.8682","0.0004","38.4392","0.0016","90","","90","","120","","4688.9","0.3","153","2","153","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C61 H66 F3 N8 O15 S Tb Zn2 -","- C61 H66 F3 N8 O15 S Tb Zn2 -","- C183 H198 F9 N24 O45 S3 Tb3 Zn6 -","3","0.166667","","Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw","Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11057","","","0.71075","MoKα","","0.0258","0.0255","","","0.0645","0.0648","","","","","","1.066","","","","has coordinates","249765","2020-10-21","18:00:00",""
"1557667","13.0157","0.0008","9.4167","0.0005","13.1769","0.0007","90","","94.249","0.004","90","","1610.59","0.16","90","0.5","90","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","","Badmus, Fatimat O.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of functionalized tetrahydropyrans via cascade cycloaddition involving silyloxyallyl cation intermediates.","Chemical communications (Cambridge, England)","2020","56","37","5034","5037","10.1039/d0cc01796e","","","0.71073","MoKα","","0.0762","0.0536","","","0.1375","0.1516","","","","","","1.036","","","","has coordinates","252685","2020-10-21","18:00:00",""
"1557668","3.8629","0.0002","11.5405","0.0007","13.9513","0.0007","74.149","0.002","82.55","0.002","87.829","0.002","593.24","0.06","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F2 N O -","- C15 H9 F2 N O -","- C30 H18 F4 N2 O2 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","","0.71073","MoKα","","0.065","0.0409","","","0.0961","0.1104","","","","","","1.035","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557669","21.7576","0.0003","9.38142","0.00011","22.7647","0.0003","90","","99.6152","0.0011","90","","4581.39","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 F2 N2 O2 -","- C30 H20 F2 N2 O2 -","- C240 H160 F16 N16 O16 -","8","2","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0482","0.0447","","","0.1112","0.1139","","","","","","1.025","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557670","8.8798","0.0006","12.2737","0.001","13.1272","0.0012","63.758","0.008","80.374","0.007","68.947","0.007","1197.53","0.19","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0505","0.0397","","","0.1013","0.1063","","","","","","1.094","","","","has coordinates,has disorder","258156","2020-10-21","18:00:00",""
"1557671","9.159","0.0003","12.266","0.0005","12.8671","0.0006","107.066","0.004","107.962","0.004","106.939","0.004","1193.03","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0577","0.0452","","","0.1199","0.1276","","","","","","1.055","","","","has coordinates,has disorder","258156","2020-10-21","18:00:00",""
"1557672","12.9258","0.0002","11.10764","0.00016","8.24353","0.00013","90","","101.365","0.0016","90","","1160.36","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","0.5","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0801","0.0808","","","","","","1.053","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557673","6.6501","0.0004","26.3347","0.0015","7.4237","0.0005","90","","115.269","0.003","90","","1175.7","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F N O -","- C15 H10 F N O -","- C60 H40 F4 N4 O4 -","4","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","","1.54178","CuKα","","0.0822","0.0756","","","0.2251","0.2322","","","","","","1.119","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557674","6.2162","0.0005","12.5583","0.0008","20.7881","0.0012","92.381","0.005","98.293","0.006","100.115","0.006","1577.16","0.19","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O -","- C12 H18 O -","- C72 H108 O6 -","6","3","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","1.54184","CuKα","","0.1114","0.0591","","","0.131","0.1549","","","","","","1.012","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557675","19.54","0.003","8.3364","0.0013","11.3992","0.0016","90","","95.016","0.009","90","","1849.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN5 - 347 - 18MCD005","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.1296","0.0547","","","0.119","0.1486","","","","","","0.938","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557676","23.4244","0.001","6.2336","0.0003","13.0105","0.0006","90","","90.557","0.002","90","","1899.68","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN1-601","","","- C19 H34 O Si -","- C19 H34 O Si -","- C76 H136 O4 Si4 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0818","0.049","","","0.1088","0.1226","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557677","22.3413","0.0004","22.3413","0.0004","8.6532","0.0002","90","","90","","90","","4319.1","0.15","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","LM1RN5-137","","","- C12 H18 O -","- C12 H18 O -","- C192 H288 O16 -","16","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0562","0.0434","","","0.1175","0.1299","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557678","11.4263","0.0002","19.625","0.0003","15.7208","0.0004","90","","90","","90","","3525.25","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RN5-163","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C160 H184 Br8 O16 -","8","2","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.071","0.0386","","","0.0685","0.0757","","","","","","0.973","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557679","27.395","0.0016","44.055","0.004","14.5103","0.0008","90","","100.575","0.005","90","","17215","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H114 Fe N4 Na4 Zn4 -","- C62 H114 Fe N4 Na4 Zn4 -","- C620 H1140 Fe10 N40 Na40 Zn40 -","10","1.25","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","1.54184","CuKα","","0.1356","0.1091","","","0.2413","0.2567","","","","","","1.106","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557680","8.8556","0.0002","17.4144","0.0004","23.9796","0.0005","90","","90","","90","","3698.01","0.14","123.05","0.1","123.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 N7 Na Zn -","- C39 H42 N7 Na Zn -","- C156 H168 N28 Na4 Zn4 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","x-ray","1.54184","CuKα","","0.0603","0.04","","","0.0824","0.0871","","","","","","0.883","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557681","14.895","0.002","26.966","0.004","18.622","0.003","90","","111.871","0.002","90","","6941.3","1.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H110 Fe N4 Na4 Zn4 -","- C68 H110 Fe N4 Na4 Zn4 -","- C272 H440 Fe4 N16 Na16 Zn16 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.6814","synchrotron","","0.1098","0.0778","","","0.1708","0.1859","","","","","","1.043","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557682","12.9797","0.0005","15.0261","0.0006","15.9756","0.0008","99.482","0.004","90.798","0.004","99.459","0.003","3028.7","0.2","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H102 Fe N6 Na2 Zn2 -","- C55 H102 Fe N6 Na2 Zn2 -","- C110 H204 Fe2 N12 Na4 Zn4 -","2","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.71073","MoKα","","0.0806","0.0466","","","0.0997","0.1154","","","","","","1.013","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557683","10.7335","0.0009","12.4005","0.001","7.9206","0.0006","90","","93.654","0.004","90","","1052.09","0.15","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","HB4343","Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","IUCrData","2020","5","3","","","10.1107/S2414314620003855","","","0.71073","MoKα","","0.0688","0.0495","","","0.1522","0.1795","","","","","","1.156","","","","has coordinates,has Fobs","249823","2020-10-21","18:00:00",""
"1557687","11.3959","0.0004","8.8582","0.0003","26.7626","0.001","90","","91.58","0.001","90","","2700.58","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0538","0.0416","","","0.1005","0.11","","","","","","1.051","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557688","14.9305","0.0009","11.67","0.0007","16.4062","0.0009","90","","109.508","0.002","90","","2694.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0642","0.0577","","","0.1268","0.1305","","","","","","1.083","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557692","10.7086","0.0002","9.7764","0.0002","13.0365","0.0003","90","","107.06","0.001","90","","1304.76","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Veranamine","8-bromo-4,5,5-trimethyl-5,6-dihydrobenzo[c][2,7]naphthyridine","","- C15 H16 Br N2 -","- C15 H16 Br N2 -","- C60 H64 Br4 N8 -","4","1","","Kochanowska-Karamyan, Anna J.; Araujo, Hugo C.; Zhang, Xiong; El-Alfy, Abir; Carvalho, Paulo; Avery, Mitchell A.; Holmbo, Stephen D.; Magolan, Jakob; Hamann, Mark T.","Isolation and Synthesis of Veranamine, an Antidepressant Lead from the Marine Sponge Verongula rigida","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01107","","","1.54178","CuKα","","0.0428","0.0385","","","0.1019","0.1054","","","","","","1.059","","","","has coordinates","249881","2020-10-21","18:00:00",""
"1557693","12.486","0.0005","15.7992","0.0007","18.2813","0.0008","74.958","0.003","70.373","0.003","83.08","0.003","3278.2","0.3","100","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H61 B F24 N2 O2 Pd -","- C65 H61 B F24 N2 O2 Pd -","- C130 H122 B2 F48 N4 O4 Pd2 -","2","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Fuchs, Amelie S.; Fischer, Stephan R. R.; Mecking, Stefan","Catalytic Chain Transfer Polymerization to Functional Reactive End Groups for Controlled Free Radical Growth","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00241","","","0.71073","MoKα","","0.1098","0.0711","","","0.1521","0.1769","","","","","","1.038","","","","has coordinates,has disorder","249889","2020-10-21","18:00:00",""
"1557694","12.7207","0.0005","15.1193","0.0007","16.6268","0.0006","93.278","0.003","98.104","0.003","98.439","0.003","3121.7","0.2","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H58 B F24 N3 Pd -","- C63 H58 B F24 N3 Pd -","- C126 H116 B2 F48 N6 Pd2 -","2","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Fuchs, Amelie S.; Fischer, Stephan R. R.; Mecking, Stefan","Catalytic Chain Transfer Polymerization to Functional Reactive End Groups for Controlled Free Radical Growth","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00241","","","0.71073","MoKα","","0.0508","0.0393","","","0.0891","0.0946","","","","","","1.021","","","","has coordinates,has disorder","249890","2020-10-21","18:00:00",""
"1557695","11.129","0.002","9.485","0.0018","18.178","0.004","90","","90.821","0.003","90","","1918.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","0.71073","MoKα","","0.1098","0.0534","","","0.1461","0.1717","","","","","","0.986","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557696","10.9067","0.0003","9.988","0.0003","18.4338","0.0005","90","","94.55","0.001","90","","2001.78","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","1.54178","CuKα","","0.0443","0.0427","","","0.1586","0.1627","","","","","","1.397","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557697","6.1631","0.0006","19.253","0.002","18.0743","0.0019","90","","96.83","0.001","90","","2129.4","0.4","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1',2-tris(methylcarboxyphenyl)ethene","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","ZL4040","Lesley, Melvin J. G.; Ozhan, Koray; Sung, Herman H.-Y.; Williams, Ian D.","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","IUCrData","2020","5","3","x200417","","10.1107/S2414314620004174","","","0.71073","MoKα","","0.0569","0.048","","","0.1185","0.1246","","","","","","1.021","","","","has coordinates,has Fobs","249911","2020-10-21","18:00:00",""
"1557703","13.5605","0.0005","16.7746","0.0006","17.6055","0.0007","90","","90","","90","","4004.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 N O13 -","- C41 H47 N O13 -","- C164 H188 N4 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0552","","","0.1468","0.1745","","","","","","1.09","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557704","11.5632","0.0001","16.5034","0.0001","18.9525","0.0001","90","","90","","90","","3616.75","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0307","0.0296","","","0.0751","0.0761","","","","","","1.04","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557705","9.3231","0.0001","9.3231","0.0001","42.7604","0.0006","90","","90","","90","","3716.74","0.08","99.9","0.3","99.9","0.3","","","","","","","","3","P 41","P 4w","76","","","","- C37 H46 O13 -","- C37 H46 O13 -","- C148 H184 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0485","","","0.1097","0.1203","","","","","","1.053","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557706","10.0116","0.0008","7.2838","0.0006","13.4741","0.0011","90","","91.07","0.003","90","","982.39","0.14","111","2","111","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0327","0.0312","","","0.0811","0.0827","","","","","","1.026","","","","has coordinates,has disorder","251470","2020-10-21","18:00:00",""
"1557707","10.5287","0.0005","7.3127","0.0004","12.9166","0.0006","90","","94.614","0.001","90","","991.27","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","dd_xcj20","","","- C20 H30 O7 -","- C20 H30 O7 -","- C40 H60 O14 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0357","0.0356","","","0.0918","0.0919","","","","","","1.05","","","","has coordinates","251470","2020-10-21","18:00:00",""
"1557708","10.8161","0.0006","8.4185","0.0005","16.7407","0.0011","90","","97.266","0.002","90","","1512.09","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Zheng, Shuai; Zhang, Shuo-Qing; Saeednia, Borna; Zhou, Jiawang; Anna, Jessica M.; Hong, Xin; Molander, Gary A.","Diastereoselective olefin amidoacylation via photoredox PCET/nickel-dual catalysis: reaction scope and mechanistic insights","Chemical Science","2020","11","16","4131","4137","10.1039/D0SC01459A","","","0.71073","MoKα","","0.045","0.0379","","","0.0895","0.0944","","","","","","1.123","","","","has coordinates","257332","2020-10-21","18:00:00",""
"1557709","41.6063","0.0014","41.6063","0.0014","41.6063","0.0014","90","","90","","90","","72024","4","120","2","120","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C288 H330 Cu2 Na2 O496 P6 W72 -","- C288 H330 Cu2 Na1.9998 O496 P6 W72 -","- C1152 H1320 Cu8 Na7.9992 O1984 P24 W288 -","4","0.166667","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0365","0.0328","","","0.0918","0.0939","","","","","","1.045","","","","has coordinates,has disorder","252852","2020-10-21","18:00:00",""
"1557710","41.7665","0.0008","41.7665","0.0008","41.7665","0.0008","90","","90","","90","","72859","2","120","2","120.01","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C144 H165 Co Na O252 P3 W36 -","- C144 H165 Co Na O252 P3 W36 -","- C1152 H1320 Co8 Na8 O2016 P24 W288 -","8","0.333333","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0433","0.0374","","","0.0999","0.1043","","","","","","1.046","","","","has coordinates","252852","2020-10-21","18:00:00",""
"1557711","19.0137","0.0009","7.3113","0.0004","20.1679","0.0009","90","","95.594","0.004","90","","2790.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MPTA","5-(2-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C120 H104 N24 O8 S8 -","8","1","","Ila, ?; Dani, Reshmi; Verma, Surya Pratap; Krishnamoorthy, G.","The origin of the longer wavelength emission in 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole and its analogue 2-phenylamino-5-(2-hydroxybenzono)-1,3,4-thiadiazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","6","844","853","10.1039/c9pp00490d","","","0.71073","MoKα","","0.0769","0.0486","","","0.1007","0.1184","","","","","","1.059","","","","has coordinates","257927","2020-10-21","18:00:00",""
"1557713","2.9647","0.0004","2.9647","0.0004","13.8892","0.0003","90","","90","","120","","105.72","0.02","100","","100","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- D2.15 Mg2.28 O6 Si1.32 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","1","0.0277778","","Purevjav, Narangoo; Okuchi, Takuo; Hoffmann, Christina","Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction","IUCrJ","2020","7","3","","","10.1107/S2052252520003036","powder diffraction","","","neutron","","","0.061","","","","0.053","","","2.02","","","","","","","has coordinates","249959","2020-10-21","18:00:00",""
"1557716","29.0834","0.001","11.8532","0.0003","17.8688","0.0006","90","","115.95","0.0015","90","","5538.9","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","ACC_74_150K","","","- C30 H27 Cl F6 Ir N2 P -","- C30 H27 Cl F6 Ir N2 P -","- C240 H216 Cl8 F48 Ir8 N16 P8 -","8","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0542","0.0305","","","0.0762","0.1073","","","","","","1.16","","","","has coordinates","249975","2020-10-21","18:00:00",""
"1557717","8.8214","0.0002","12.811","0.0004","13.5282","0.0004","81.1829","0.0016","82.9683","0.0014","87.8789","0.0015","1499.15","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","ACC_73_150K","","","- C27.75 H28.75 Cl2.25 F6 Ir N2 P -","- C27.75 H28.75 Cl2.25 F6 Ir N2 P -","- C55.5 H57.5 Cl4.5 F12 Ir2 N4 P2 -","2","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0426","0.038","","","0.1055","0.1227","","","","","","1.139","","","","has coordinates","249976","2020-10-21","18:00:00",""
"1557718","15.8944","0.0004","10.8142","0.0002","15.7843","0.0004","90","","111.606","0.002","90","","2522.46","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ACC_68_150K","","","- C28 H26 F6 Ir N2 P -","- C28 H26 F6 Ir N2 P -","- C112 H104 F24 Ir4 N8 P4 -","4","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0311","0.0226","","","0.0577","0.0876","","","","","","1.091","","","","has coordinates","249977","2020-10-21","18:00:00",""
"1557719","8.8857","0.0003","11.9211","0.0005","14.3535","0.0006","84.168","0.003","86.455","0.002","75.92","0.002","1466.03","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","ACC_75_01","","","- C27 H25 Cl3 F8 Ir N2 P -","- C27 H25 Cl3 F8 Ir N2 P -","- C54 H50 Cl6 F16 Ir2 N4 P2 -","2","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0475","0.0355","","","0.0732","0.0775","","","","","","1.06","","","","has coordinates","249978","2020-10-21","18:00:00",""
"1557720","15.2558","0.0009","10.7013","0.0007","15.9682","0.001","90","","110.221","0.003","90","","2446.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ACC_25_LT","","","- C26 H26 F6 Ir N2 P -","- C26 H26 F6 Ir N2 P -","- C104 H104 F24 Ir4 N8 P4 -","4","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0736","0.0416","","","0.0759","0.0874","","","","","","1.02","","","","has coordinates,has disorder","249979","2020-10-21","18:00:00",""
"1557721","9.2868","0.0002","18.0311","0.0003","22.9054","0.0004","90","","90","","90","","3835.54","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 Mn N7 O7 S2 -","- C32 H41 F6 Mn N7 O7 S2 -","- C128 H164 F24 Mn4 N28 O28 S8 -","4","1","","Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D.","Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead","Organic Process Research & Development","2020","24","4","490","499","10.1021/acs.oprd.0c00052","","","0.71073","MoKα","","0.075","0.0543","","","0.1332","0.148","","","","","","1.056","","","","has coordinates,has disorder","257168","2020-10-21","18:00:00",""
"1557722","9.437","0.0002","10.4908","0.0003","18.5143","0.0004","96.9776","0.0019","99.2858","0.0019","104.161","0.002","1728.97","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O6 P2 -","- C36 H46 N4 O6 P2 -","- C72 H92 N8 O12 P4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","0.71073","MoKα","","0.0439","0.0387","","","0.0937","0.0974","","","","","","1.018","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557723","8.1545","0.0003","11.7917","0.0005","16.3115","0.0004","107.981","0.003","96.136","0.003","103.72","0.003","1421.47","0.1","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Br2 Co N4 O7 S2 -","- C27 H30 Br2 Co N4 O7 S2 -","- C54 H60 Br4 Co2 N8 O14 S4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0499","0.0412","","","0.1032","0.1077","","","","","","1.03","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557724","8.0833","0.0001","11.8214","0.0001","13.6272","0.0001","90","","95.751","0.001","90","","1295.61","0.02","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 Co N4 O4 -","- C26 H28 Br2 Co N4 O4 -","- C52 H56 Br4 Co2 N8 O8 -","2","0.5","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0928","0.0942","","","","","","1.081","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557725","7.7554","0.001","13.9099","0.0018","27.058","0.003","90","","92.8263","0.0019","90","","2915.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEH136 [H2MeThiazole][RuCl4(2MeThiazole)2]","","","- C10.67 H14 Cl4 N2.67 Ru S2.67 -","- C10.6667 H14 Cl4 N2.66667 Ru S2.66667 -","- C64 H84 Cl24 N16 Ru6 S16 -","6","1.5","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0401","0.0313","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557726","8.0381","0.0003","8.1691","0.0003","8.3951","0.0003","85.2736","0.0016","71.5044","0.0015","61.7748","0.0014","459.11","0.03","100","2","100","2","","","","","","","","7","P 1","P 1","1","Webb/GKY-41 [HMeThia][RuCl4(dmso)(MeThia)]","","","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","1","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0179","0.0179","","","0.0494","0.0495","","","","","","1.059","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557727","10.805","0.0006","10.9929","0.0006","17.0331","0.001","90","","101.318","0.004","90","","1983.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Webb/SF-53-17 [NH2thiazolium][RuCl4(DMSO)(NH2Thiazole)] from MeOH/Ether","","","- C9.44 H19.44 Cl4 N4 O1.78 Ru S3 -","- C9.4338 H19.432 Cl4 N4 O1.7822 Ru S3 -","- C37.7352 H77.728 Cl16 N16 O7.1288 Ru4 S12 -","4","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0339","0.0247","","","0.0541","0.058","","","","","","1.04","","","","has coordinates,has disorder","251676","2020-10-21","18:00:00",""
"1557730","14.3592","0.0005","7.0144","0.0003","15.9545","0.0007","90","","94.836","0.003","90","","1601.24","0.11","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","2","","Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.","Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00041","","x-ray","1.54184","CuKα","","0.064","0.0544","","","0.1389","0.1473","","","","","","1.093","","","","has coordinates","250014","2020-10-21","18:00:00",""
"1557731","14.3803","0.0005","5.9304","0.0002","20.8174","0.0014","90","","102.702","0.005","90","","1731.88","0.15","190","2","190","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H26 N O5.5 -","- C17 H26 N O5.5 -","- C68 H104 N4 O22 -","4","1","","Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.","Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00041","","x-ray","1.54184","CuKα","","0.0779","0.0565","","","0.1167","0.1301","","","","","","1.033","","","","has coordinates","250015","2020-10-21","18:00:00",""
"1557732","10.3043","0.0004","10.5271","0.0005","21.1147","0.0009","88.634","0.001","86.866","0.002","70.331","0.001","2153.5","0.16","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H39 N5 O2 S -","- C53 H39 N5 O2 S -","- C106 H78 N10 O4 S2 -","2","1","","Lv, Chunyan; Liu, Wangwang; Luo, Qing; Yi, Haiyan; Yu, Huakang; Yang, Zhongmin; Zou, Bo; Zhang, Yujian","A highly emissive AIE-active luminophore exhibiting deep-red to near-infrared piezochromism and high-quality lasing","Chemical Science","2020","11","15","4007","4015","10.1039/D0SC01095B","","","0.71073","MoKα","","0.1163","0.0558","","","0.112","0.1385","","","","","","1.026","","","","has coordinates","257378","2020-10-21","18:00:00",""
"1557733","11.944","0.004","12.209","0.005","12.69","0.005","108.719","0.008","99.862","0.008","107.399","0.008","1597.6","1.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 Cu N3 O15 S -","- C25 H35 Cu N3 O15 S -","- C50 H70 Cu2 N6 O30 S2 -","2","1","","Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua","Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks.","The Analyst","2020","145","7","2779","2788","10.1039/d0an00002g","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","250125","2020-10-21","18:00:00",""
"1557734","11.3364","0.0011","22.492","0.002","24.752","0.002","66.251","0.002","88.427","0.002","82.262","0.002","5721.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H68 Cu4 N12 O18 S2 -","- C96 H68 Cu4 N12 O18 S2 -","- C192 H136 Cu8 N24 O36 S4 -","2","1","","Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua","Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks.","The Analyst","2020","145","7","2779","2788","10.1039/d0an00002g","","","0.71073","MoKα","","0.1733","0.1252","","","0.3449","0.3723","","","","","","1.058","","","","has coordinates,has disorder","250125","2020-10-21","18:00:00",""
"1557737","32.6262","0.0018","32.6262","0.0018","73.225","0.005","90","","90","","120","","67503","7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H810 Mo132 N46 O708 S2 -","- C78.6 H49.5 Mo132 O584.94 -","- C235.8 H148.5 Mo396 O1754.82 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.71073","MoKα","","0.0775","0.0591","","","0.1527","0.1884","","","","","","1.152","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557738","32.3898","0.0003","32.3898","0.0003","72.8225","0.0007","90","","90","","120","","66162.6","1.1","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H806 Mo132 N48 O676 S3 -","- C120 H150 Mo132 O572.1 -","- C360 H450 Mo396 O1716.3 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0698","0.064","","","0.2086","0.2176","","","","","","1.082","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557739","32.4465","0.0002","32.4465","0.0002","72.887","0.0005","90","","90","","120","","66453.3","0.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H926 Mo132 N48 O736 S3 -","- C115.8 H100.2 Mo132 O580.2 -","- C347.4 H300.6 Mo396 O1740.6 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0661","0.0598","","","0.1943","0.2012","","","","","","1.066","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557740","4.6221","0.0004","19.4673","0.0019","14.7079","0.0013","90","","98.627","0.004","90","","1308.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cd O6 P2 -","- C10 H14 Cd O6 P2 -","- C40 H56 Cd4 O24 P8 -","4","1","","Zeng, Tianyu; Shi, Dajun; Cheng, Qingrong; Liao, Guiying; Zhou, Hong; Pan, Zhiquan","Construction of novel phosphonate-based MOF/P‒TiO2 heterojunction photocatalysts: enhanced photocatalytic performance and mechanistic insight","Environmental Science: Nano","2020","7","3","861","879","10.1039/C9EN01180C","","","0.71073","MoKα","","0.0936","0.05","","","0.0821","0.0904","","","","","","1.015","","","","has coordinates","258159","2020-10-21","18:00:00",""
"1557741","10.402","0.0008","22.6864","0.0017","12.1807","0.001","90","","92.034","0.001","90","","2872.6","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Mn2 N2 O12 -","- C26 H32 Mn2 N2 O12 -","- C104 H128 Mn8 N8 O48 -","4","1","","MIKURIYA, Masahiro; KOYAMA, Yoshiki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Dinuclear Manganese(III) Complex with a Schiff-base Having a Di-μ-acetato-μ-alkoxido-bridged Core","X-ray Structure Analysis Online","2020","36","0","7","9","10.2116/xraystruct.36.7","","","0.71073","MoKα","","0.0793","0.0495","","","0.1063","0.1218","","","","","","1.006","","","","has coordinates,has disorder","258171","2020-10-21","18:00:00",""
"1557742","5.8207","0.0003","11.2873","0.0005","6.3126","0.0004","90","","90","","90","","414.74","0.04","298","1","298","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H0.064 D0.936 O5 Sb -","- C2 H0.064 D0.936 O5 Sb -","- C8 H0.256 D3.744 O20 Sb4 -","4","0.5","","Kohlmann, Holger; Rauchmaul, Anne; Keilholz, Simon; Franz, Alexandra","Crystal Structure and Thermal Behavior of SbC2O4OH and SbC2O4OD","Inorganics","2020","8","3","21","","10.3390/inorganics8030021","powder diffraction","","1.79725","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.1932","1.99","","","","","","","has coordinates","250385","2020-10-21","18:00:00",""
"1557744","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi, Luca; Zaccarini, Federica; Bonazzi, Paola; Grammatikopoulos, Tassos; Tsikouras, Basilios; Stanley, Chris; Garuti, Giorgio","Eliopoulosite, V7S8, A New Sulfide from the Podiform Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","3","245","","10.3390/min10030245","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","250387","2020-10-21","18:00:00",""
"1557745","13.9484","0.0012","18.528","0.0016","7.0215","0.0008","90","","90","","90","","1814.6","0.3","293","1","293","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","0.71073","MoKα","","0.0525","0.0387","","","0.084","0.0894","","","","","","1.084","","","","has coordinates","250388","2020-10-21","18:00:00",""
"1557746","18.879","0.003","6.2395","0.0006","8.7555","0.0009","90","","99.765","0.012","90","","1016.4","0.2","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O4 -","- C9 H9 K N O4 -","- C36 H36 K4 N4 O16 -","4","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","1.54184","CuKα","","0.0869","0.0615","","","0.1611","0.1854","","","","","","1.077","","","","has coordinates,has disorder","250388","2020-10-21","18:00:00",""
"1557747","10.6954","0.0005","29.2218","0.0014","28.2691","0.0015","90","","95.3952","0.0016","90","","8796.1","0.8","150","2","149.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H96 Ca2 Cl N6 O36 V12 -","- C44 H96 Ca2 Cl N6 O36 V12 -","- C176 H384 Ca8 Cl4 N24 O144 V48 -","4","1","","Greiner, Simon; Schwarz, Benjamin; Ringenberg, Mark; Dürr, Maximilian; Ivanovic-Burmazovic, Ivana; Fichtner, Maximilian; Anjass, Montaha; Streb, Carsten","Redox-inactive ions control the redox-activity of molecular vanadium oxides","Chemical Science","2020","11","17","4450","4455","10.1039/D0SC01401J","","","0.71073","MoKα","","0.096","0.0815","","","0.1795","0.1883","","","","","","1.165","","","","has coordinates,has disorder","257321","2020-10-21","18:00:00",""
"1557748","9.2313","0.0001","9.3742","0.0001","11.8955","0.0001","84.254","0.001","67.426","0.001","81.238","0.001","938.451","0.018","90","0.4","90","0.4","","","","","","","","4","P -1","-P 1","2","","5,6,10b-triazaacephenanthrylene","","- C26 H15 N5 O -","- C26 H15 N5 O -","- C52 H30 N10 O2 -","2","1","","Gryl, Marlena; Ostrowska, Katarzyna; Barquera-Lozada, Jose Enrique; Stadnicka, Katarzyna M.","Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b10651","","x-ray","0.71073","MoKα","","0.071","0.033","","","","0.026","0.035","","","","","1.051","","","","has coordinates","250465","2020-10-21","18:00:00",""
"1557749","7.3222","0.0002","16.3645","0.0005","22.9119","0.0006","90","","90","","90","","2745.4","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","((S)-3-(2,6-diethylbenzyl)-1-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydroisoquinoline) palladium(II) chloride","","- C27 H27 Cl4 F3 N2 Pd -","- C27 H27 Cl4 F3 N2 Pd -","- C108 H108 Cl16 F12 N8 Pd4 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0676","0.0441","","","0.0932","0.1018","","","","","","0.996","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557750","23.2747","0.0004","6.7781","0.0001","10.2443","0.0002","90","","91.9349","0.0017","90","","1615.2","0.05","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(S)-2-(4-(tert-butyl)phenyl)-2-methylchroman-4-one","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0315","0.0306","","","0.0793","0.0802","","","","","","1.043","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557751","14.6285","0.0004","29.9816","0.0007","20.5191","0.0005","90","","94.548","0.007","90","","8971","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 N7 O18 V7 -","- C66 H94 N7 O18 V7 -","- C264 H376 N28 O72 V28 -","4","1","IS4043","Kodama, Shintaro; Kondo, Shota; Nomoto, Akihiro; Ogawa, Akiya","Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)(<i>trans</i>-4-<i>tert</i>-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule","IUCrData","2020","5","4","x200449","","10.1107/S2414314620004496","","","0.71075","MoKα","","0.0956","0.0738","","","0.1891","0.2017","","","","","","1.015","","","","has coordinates,has Fobs","250494","2020-10-21","18:00:00",""
"1557752","8.7612","0.0008","13.1852","0.0013","16.4458","0.0019","90","","94.4","0.009","90","","1894.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]","","- C12 H16 Cu2 I2 N2 S4 -","- C12 H16 Cu2 I2 N2 S4 -","- C48 H64 Cu8 I8 N8 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer","IUCrData","2020","5","4","x200467","","10.1107/S2414314620004678","","","0.71073","MoKα","","0.045","0.0359","","","0.0783","0.0837","","","","","","1.161","","","","has coordinates,has Fobs","250495","2020-10-21","18:00:00",""
"1557753","5.3009","0.0008","8.625","0.0012","10.6976","0.0014","90","","91.146","0.005","90","","489","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","","- C6 H6 F8 O4 -","- C6 H6 F8 O4 -","- C12 H12 F16 O8 -","2","1","LH4054","Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M.","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","IUCrData","2020","5","4","x200445","","10.1107/S2414314620004459","","","0.71073","MoKα","","0.0389","0.0379","","","0.0982","0.0998","","","","","","1.001","","","","has coordinates,has Fobs","250496","2020-10-21","18:00:00",""
"1557755","38.495","0.002","7.8252","0.0005","36.789","0.002","90","","115.523","0.004","90","","10000.5","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C136 H116 N6 Zn -","- C136 H116 N6 Zn -","- C544 H464 N24 Zn4 -","4","0.5","","Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève","Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00401","","x-ray","1.54178","CuKα","","0.1293","0.0905","","","0.2029","0.2257","","","","","","1.074","","","","has coordinates,has disorder","250513","2020-10-21","18:00:00",""
"1557756","19.5977","0.0003","18.3817","0.0003","34.4782","0.0005","90","","92.16","0.001","90","","12411.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C152 H124 N6 Zn -","- C152 H124 N6 Zn -","- C608 H496 N24 Zn4 -","4","1","","Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève","Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00401","","","1.54178","CuKα","","0.07","0.0479","","","0.1227","0.1348","","","","","","1.037","","","","has coordinates","250514","2020-10-21","18:00:00",""
"1557759","10.4967","0.0013","35.322","0.006","10.5918","0.0014","90","","107.076","0.005","90","","3753.9","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 B2 F4 N4 O2 -","- C45 H34 B2 F4 N4 O2 -","- C180 H136 B8 F16 N16 O8 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Controlling Photophysical Properties of Systems Containing Multiple BODIPY Units Linked by Methylene Bridge","The Journal of Physical Chemistry C","2020","124","16","9056","9067","10.1021/acs.jpcc.0c00690","","","0.71073","MoKα","","0.094","0.0652","","","0.1703","0.1878","","","","","","1.037","","","","has coordinates","257155","2020-10-21","18:00:00",""
"1557760","7.5797","0.0007","9.1057","0.0009","27.371","0.003","90","","95.218","0.001","90","","1881.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 S3 Sb -","- C6 H11 S3 Sb -","- C48 H88 S24 Sb8 -","8","2","","Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F.","Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents","Chemical Science","2020","11","17","4374","4380","10.1039/D0SC00206B","","","0.71073","MoKα","","0.0212","0.0178","","","0.0412","0.0429","","","","","","1.069","","","","has coordinates","257318","2020-10-21","18:00:00",""
"1557761","13.2446","0.0005","13.7731","0.0005","20.2266","0.0008","94.923","0.003","102.959","0.003","114.918","0.004","3192.4","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H53 B Cl2 F20 N2 -","- C71 H53 B Cl2 F20 N2 -","- C142 H106 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0542","0.0433","","","0.1097","0.1185","","","","","","1.025","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557762","8.40488","0.00013","18.0272","0.0003","11.0843","0.00015","90","","91.4773","0.0013","90","","1678.9","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H21 B F20 N2 -","- C35 H21 B F20 N2 -","- C70 H42 B2 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.0772","0.0774","","","","","","1.065","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557763","12.4784","0.0002","12.6328","0.0003","17.6483","0.0005","69.366","0.002","84.7909","0.0018","78.9069","0.0016","2554.12","0.11","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 B Cl2 F20 N2 -","- C52 H39 B Cl2 F20 N2 -","- C104 H78 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.054","0.052","","","0.1491","0.151","","","","","","1.022","","","","has coordinates,has disorder","257282","2020-10-21","18:00:00",""
"1557764","18.0482","0.0003","18.05071","0.00019","34.8012","0.0005","90","","90","","90","","11337.6","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H39 B F20 N2 -","- C64 H39 B F20 N2 -","- C512 H312 B8 F160 N16 -","8","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0453","0.0402","","","0.1068","0.1109","","","","","","1.046","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557765","26.3104","0.0004","8.4587","0.0001","15.7403","0.0003","90","","93.63","0.001","90","","3496","0.09","109","","109","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zinc(II) hexathiocyantosbismuthate(III)","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0336","0.0259","","","0.0568","0.0596","","","","","","1.067","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557766","17.7331","0.0006","13.6501","0.0004","16.4375","0.0004","90","","114.397","0.0012","90","","3623.55","0.19","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zinc hexathiocyanatobismuthate","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.078","0.0507","","","0.1078","0.1206","","","","","","1.046","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557767","8.3065","0.0002","25.8428","0.0006","12.2664","0.0003","90","","90.2358","0.0013","90","","2633.12","0.11","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0547","0.0376","","","0.085","0.0927","","","","","","1.024","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557768","12.0209","0.0002","12.1613","0.0002","23.8319","0.0004","94.2","0.001","94.003","0.001","91.452","0.001","3464.52","0.1","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0791","0.0587","","","0.1117","0.1201","","","","","","1.129","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557769","11.8567","0.0002","11.8653","0.0002","18.3824","0.0004","84.0731","0.0007","76.714","0.0007","85.1942","0.0008","2498.6","0.08","111","","111","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H74 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0737","0.0433","","","0.0664","0.0742","","","","","","1.036","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557770","8.3698","0.0003","26.0037","0.0009","12.2466","0.0004","90","","91.208","0.002","90","","2664.83","0.16","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0913","0.0553","","","0.1326","0.1544","","","","","","1.017","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557775","13.1254","0.0007","8.1029","0.0004","12.686","0.0007","90","","109.249","0.006","90","","1273.78","0.13","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","x-ray","1.54184","CuKα","","0.045","0.0437","","","0.1074","0.1083","","","","","","1.077","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557776","11.065","0.0008","15.5926","0.0012","9.3078","0.0006","90","","108.433","0.002","90","","1523.5","0.19","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","","0.71073","MoKα","","0.0821","0.0537","","","0.1403","0.1721","","","","","","1.005","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557777","9.1045","0.0015","9.4078","0.0014","9.9658","0.0017","110.846","0.005","92.668","0.005","107.055","0.005","751.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","","0.71073","MoKα","","0.0944","0.0679","","","0.1817","0.1939","","","","","","1.001","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557783","15.1713","0.0005","14.8958","0.0004","22.0423","0.0012","90","","106.726","0.004","90","","4770.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H83 Cl4 Mo4 N12 O16 -","- C86 H83 Cl4 Mo4 N12 O16 -","- C172 H166 Cl8 Mo8 N24 O32 -","2","0.5","","Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing","Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions.","Nanoscale","2020","12","18","10320","10327","10.1039/d0nr00195c","","x-ray","1.54184","CuKα","","0.1257","0.1024","","","0.2697","0.286","","","","","","1.11","","","","has coordinates,has disorder","252853","2020-10-21","18:00:00",""
"1557784","12.1607","0.0014","12.8866","0.0016","13.626","0.0012","76.922","0.009","89.914","0.008","69.182","0.011","1936.8","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Mo2 N6 O8 -","- C42 H38 Mo2 N6 O8 -","- C84 H76 Mo4 N12 O16 -","2","1","","Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing","Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions.","Nanoscale","2020","12","18","10320","10327","10.1039/d0nr00195c","","x-ray","1.54184","CuKα","","0.1569","0.1007","","","0.2518","0.2858","","","","","","1.124","","","","has coordinates,has disorder","252853","2020-10-21","18:00:00",""
"1557785","22.4736","0.0019","24.012","0.002","20.6252","0.0017","90","","97.765","0.002","90","","11028","1.6","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69 H154 O47 Ti17 -","- C48 H102 O46 Ti17 -","- C192 H408 O184 Ti68 -","4","0.5","","Liu, Caiyun; Hu, Junyi; Biswas, Subharanjan; Zhu, Feng; Zhan, Jinhua; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Surface-Enhanced Raman Scattering of Phenols and Catechols by a Molecular Analogue of Titanium Dioxide.","Analytical chemistry","2020","92","8","5929","5936","10.1021/acs.analchem.0c00047","","","0.71073","MoKα","","0.1231","0.0676","","","0.1849","0.2127","","","","","","1.063","","","","has coordinates,has disorder","251432","2020-10-21","18:00:00",""
"1557786","6.7541","0.0008","13.6991","0.0017","21.781","0.003","90","","90","","90","","2015.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0471","0.0418","","","0.1184","0.1238","","","","","","1.065","","","","has coordinates","250724","2020-10-21","18:00:00",""
"1557787","8.0964","0.0009","14.0282","0.0013","17.5127","0.0017","90","","90","","90","","1989.1","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0561","0.0366","","","0.0806","0.0949","","","","","","1.078","","","","has coordinates","250725","2020-10-21","18:00:00",""
"1557788","8.3415","0.0004","10.1215","0.0004","25.9996","0.0012","90","","90","","90","","2195.11","0.17","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 I N2 O2 -","- C10 H14 I N2 O2 -","- C80 H112 I8 N16 O16 -","8","1","","Yang, Zhimin; Stein, Richard A.; Ngendahimana, Thacien; Pink, Maren; Rajca, Suchada; Jeschke, Gunnar; Eaton, Sandra S.; Eaton, Gareth R.; Mchaourab, Hassane S.; Rajca, Andrzej","Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c00743","","","0.71073","MoKα","","0.0225","0.0172","","","0.0551","0.0694","","","","","","1.301","","","","has coordinates","250737","2020-10-21","18:00:00",""
"1557789","4.519","0.003","5.503","0.008","4.888","0.002","90","","90.59","0.08","90","","121.5","0.2","","","293","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","Riesite IMA-2015-110","","","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","1","","Oliver Tschauner; Chi Ma; Antonio Lanzirotti; Matthew G. Newville","Riesite, a New High Pressure Polymorph of TiO2 from the Ries Impact Structure","Minerals","2020","10","","78","","10.3390/min10010078","powder diffraction","x-ray","0.6199","","","","","","","","","0.078","0.096","","","","","","","","has coordinates","250752","2020-10-21","18:00:00",""
"1557790","14.502","0.0012","12.866","0.0009","20.32","0.0019","90","","106.828","0.005","90","","3629","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B F4 N2 O2 -","- C43 H39 B F4 N2 O2 -","- C172 H156 B4 F16 N8 O8 -","4","1","","Zhou, Chengcheng; Jiang, Meijuan; Du, Jian; Bai, Haotian; Shan, Guogang; Kwok, Ryan T. K.; Chau, Joe H. C.; Zhang, Jun; Lam, Jacky W. Y.; Huang, Peng; Tang, Ben Zhong","One stone, three birds: one AIEgen with three colors for fast differentiation of three pathogens","Chemical Science","2020","11","18","4730","4740","10.1039/D0SC00256A","","","0.71069","MoKα","","0.205","0.0914","","","0.2067","0.242","","","","","","1.156","","","","has coordinates,has disorder","257391","2020-10-21","18:00:00",""
"1557794","31.3413","0.0007","31.3413","0.0007","31.3413","0.0007","90","","90","","90","","30785.8","1.2","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H2 In N4 O8 -","- C10 H2 In N4 O8 -","- C480 H96 In48 N192 O384 -","48","0.5","","Huang, Qi; Guo, Yuanyuan; Wang, Xian; Chai, Lulu; Ding, Junyang; Zhong, Li; Li, Ting-Ting; Hu, Yue; Qian, Jinjie; Huang, Shaoming","In-MOF-derived ultrathin heteroatom-doped carbon nanosheets for improving oxygen reduction.","Nanoscale","2020","12","18","10019","10025","10.1039/d0nr02007a","","","1.54184","CuKα","","0.1028","0.0686","","","0.216","0.2453","","","","","","1.097","","","","has coordinates,has disorder","252851","2020-10-21","18:00:00",""
"1557795","11.4485","0.0007","9.3218","0.0006","23.3115","0.0014","90","","92.268","0.002","90","","2485.9","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 F Ir N3 O -","- C31 H21 F Ir N3 O -","- C124 H84 F4 Ir4 N12 O4 -","4","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","","0.71073","MoKα","","0.0434","0.028","","","0.0663","0.0796","","","","","","1.134","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557796","10.7444","0.0008","22.9897","0.0012","10.6487","0.0006","90","","96.221","0.006","90","","2614.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 F Ir N5 O3 -","- C29 H27 F Ir N5 O3 -","- C116 H108 F4 Ir4 N20 O12 -","4","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","x-ray","0.71073","MoKα","","0.0746","0.0435","","","0.0853","0.0972","","","","","","0.995","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557797","21.5039","0.0006","16.6692","0.0005","14.8357","0.0004","90","","101.136","0.003","90","","5217.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H21 F Ir N3 O -","- C35 H21 F Ir N3 O -","- C280 H168 F8 Ir8 N24 O8 -","8","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","x-ray","0.71073","MoKα","","0.0966","0.0448","","","0.0516","0.0624","","","","","","0.999","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557798","20.4836","0.0017","16.3026","0.0014","15.6214","0.0013","90","","100.056","0.003","90","","5136.4","0.7","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 F Ir N3 O -","- C33 H25 F Ir N3 O -","- C264 H200 F8 Ir8 N24 O8 -","8","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","","0.71073","MoKα","","0.0309","0.021","","","0.0476","0.0513","","","","","","1.044","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557799","8.07861","0.00016","10.5922","0.0002","8.39036","0.00016","90","","97.3584","0.0019","90","","712.05","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O7 -","- C15 H16 O7 -","- C30 H32 O14 -","2","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0304","0.0296","","","0.0742","0.0755","","","","","","1.116","","","","has coordinates","250805","2020-10-21","18:00:00",""
"1557800","10.25093","0.00013","14.51735","0.00019","12.5428","0.00019","90","","102.897","0.0014","90","","1819.49","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H38 O19 -","- C39 H38 O19 -","- C78 H76 O38 -","2","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0355","0.0333","","","0.0845","0.087","","","","","","1.064","","","","has coordinates","250807","2020-10-21","18:00:00",""
"1557801","8.8976","0.0002","13.2445","0.0004","11.7818","0.0003","90","","90.183","0.002","90","","1388.41","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H19 O6.5 -","- C15 H19 O6.5 -","- C60 H76 O26 -","4","2","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0968","0.0943","","","0.2274","0.2289","","","","","","1.144","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557802","7.01084","0.00018","10.9717","0.0006","17.1758","0.0006","90","","90","","90","","1321.18","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54184","CuKα","","0.03","0.0291","","","0.0739","0.0751","","","","","","1.087","","","","has coordinates","250809","2020-10-21","18:00:00",""
"1557803","4.9863","0.0001","11.0727","0.0003","24.1254","0.0007","90","","95.681","0.002","90","","1325.46","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","2","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","1.54184","CuKα","","0.0266","0.0249","","","0.0566","0.058","","","","","","1.06","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557804","19.191","0.002","9.515","0.0011","7.2721","0.001","90","","99.117","0.008","90","","1311.1","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","R-o-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0904","0.0511","","","0.0882","0.1038","","","","","","0.963","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557805","4.9936","0.0008","10.8879","0.0016","23.631","0.003","90","","90","","90","","1284.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","S-m-ClMA","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0932","0.0501","","","0.08","0.0921","","","","","","0.959","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557806","7.5806","0.0009","7.9701","0.0011","22.102","0.003","90","","90","","90","","1335.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","R-p-Ma","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0593","0.0424","","","0.0884","0.0953","","","","","","1.026","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557807","5.3167","0.0002","14.4015","0.0004","17.1898","0.0005","90","","90","","90","","1316.2","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-MandAcetona","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0344","0.0304","","","0.0791","0.0818","","","","","","1.07","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557808","8.4442","0.0012","7.7559","0.0011","10.4879","0.0013","90","","108.302","0.007","90","","652.13","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-m-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0613","0.0421","","","0.0868","0.0955","","","","","","1.066","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557810","6.6373","0.0001","13.1251","0.0002","14.4267","0.0002","90","","99.673","0.002","90","","1238.92","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C48 H60 N12 O16 -","4","1","","Anstis, Daniel G.; Lindsay, Ashley C.; Söhnel, Tilo; Sperry, Jonathan","Synthesis of the 1,2,4-Thiadiazole Alkaloid Polyaurine B","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00166","","x-ray","1.54184","CuKα","","0.0373","0.0323","","","0.0856","0.0889","","","","","","1.041","","","","has coordinates","250865","2020-10-21","18:00:00",""
"1557811","8.4764","0.0013","33.008","0.005","40.934","0.006","90","","90","","90","","11453","3","273","2","298.15","","","","","","","","","4","F 2 d d","F -2d 2","43","","","","- C35 H33 N O4 -","- C35 H33 N O4 -","- C560 H528 N16 O64 -","16","1","","Mateos, Javier; Vega-Peñaloza, Alberto; Franceschi, Pietro; Rigodanza, Francesco; Andreetta, Philip; Companyó, Xavier; Pelosi, Giorgio; Bonchio, Marcella; Dell’Amico, Luca","A visible-light Paternò–Büchi dearomatisation process towards the construction of oxeto-indolinic polycycles","Chemical Science","2020","11","25","6532","6538","10.1039/D0SC01569E","","","0.71073","MoKα","","0.0791","0.0427","","","0.0911","0.1049","","","","","","1.013","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1557814","7.9899","0.0005","10.1223","0.0006","11.6441","0.0007","101.878","0.002","104.712","0.002","97.38","0.002","874.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","doravirine","3-Chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H -1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl) -1,2-dihydropyridin-3-yl}oxy)benzonitrile","","- C17 H11 Cl F3 N5 O3 -","- C17 H11 Cl F3 N5 O3 -","- C34 H22 Cl2 F6 N10 O6 -","2","1","","Rudd, Nathan D.; Reibarkh, Mikhail; Fang, Rui; Mittal, Sachin; Walsh, Paul L.; Brunskill, Andrew P. J.; Forrest, William P.","Interpreting <i>in vitro</i> Release Performance from Long-Acting Parenteral Nanosuspensions using USP-4 Dissolution and Spectroscopic Techniques.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00208","","","1.54178","CuKα","","0.0426","0.0424","","","0.1111","0.1112","","","","","","1.093","","","","has coordinates","250898","2020-10-21","18:00:00",""
"1557815","13.6605","0.0017","14.7195","0.0018","17.277","0.002","86.231","0.005","68.978","0.005","80.007","0.005","3193.5","0.7","140","","143.99","","","","","","","","","4","P -1","-P 1","2","","Spiro-OMeTAD","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei","Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons.","Nanoscale","2020","12","18","9964","9968","10.1039/d0nr01436b","","","1.54178","CuKα","","0.0445","0.0414","","","0.1052","0.1079","","","","","","1.0467","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557816","10.556","0.002","16.36","0.003","20.984","0.003","68.742","0.012","80.019","0.013","71.824","0.014","3201.3","1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O9 -","- C81 H68 N4 O9 -","- C162 H136 N8 O18 -","2","1","","Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei","Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons.","Nanoscale","2020","12","18","9964","9968","10.1039/d0nr01436b","","","1.54178","CuKα","","0.1074","0.0917","","","0.1725","0.1796","","","","","","1.19","","","","has coordinates","252854","2020-10-21","18:00:00",""
"1557817","6.1444","0.0006","12.8514","0.0013","19.3315","0.0019","90","","91.626","0.003","90","","1525.9","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Diallyl-5-methoxytryptamine","<i>N</i>-[2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-(prop-2-en-1-yl)prop-2-en-1-amine","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","BX4017","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine","IUCrData","2020","5","4","","","10.1107/S2414314620004988","","","0.71073","MoKα","","0.0598","0.0408","","","0.0941","0.1057","","","","","","1.05","","","","has coordinates,has Fobs","250923","2020-10-21","18:00:00",""
"1557818","9.278","0.0003","10.9501","0.0002","11.6256","0.0003","87.339","0.002","68.312","0.002","88.577","0.002","1096.27","0.05","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br N4 O3 -","- C23 H25 Br N4 O3 -","- C46 H50 Br2 N8 O6 -","2","1","","Saini, Vaishali; Krishnan, Rangan; Khungar, Bharti","Exploration of fluorescence behavior of an imidazolium-based chemosensor in solution and in the solid state and its turn-on response to Al<sup>3+</sup> in pure aqueous medium.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","7","931","942","10.1039/c9pp00477g","","x-ray","0.71073","MoKα","","0.0264","0.0224","","","0.0566","0.0582","","","","","","1.058","","","","has coordinates","255105","2020-10-21","18:00:00",""
"1557821","7.2655","0.0001","10.1927","0.0001","24.3238","0.0003","90","","90","","90","","1801.3","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0318","0.0315","","","0.0832","0.0836","","","","","","1.072","","","","has coordinates","250943","2020-10-21","18:00:00",""
"1557822","11.2781","0.0002","9.82934","0.00016","11.8906","0.0002","90","","102.641","0.0017","90","","1286.2","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C56 H76 O18 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0469","0.0418","","","0.1017","0.1038","","","","","","1.065","","","","has coordinates","250944","2020-10-21","18:00:00",""
"1557823","10.2039","0.0002","13.7078","0.0005","24.7447","0.0007","90","","90","","90","","3461.12","0.17","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 Cl3 O9 -","- C29 H37 Cl3 O9 -","- C116 H148 Cl12 O36 -","4","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0935","0.0838","","","0.2269","0.2396","","","","","","1.062","","","","has coordinates","250945","2020-10-21","18:00:00",""
"1557824","10.3686","0.0003","6.6338","0.0002","13.6339","0.0004","90","","103.943","0.003","90","","910.15","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O10 -","- C20 H26 O10 -","- C40 H52 O20 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0521","0.0471","","","0.114","0.1179","","","","","","1.042","","","","has coordinates","250946","2020-10-21","18:00:00",""
"1557825","8.3215","0.0001","10.2604","0.0001","14.326","0.0001","90","","99.725","0.001","90","","1205.6","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H33 O8 -","- C27 H32.772 O8 -","- C54 H65.544 O16 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","x-ray","1.54178","CuKα","","0.0362","0.0361","","","0.0981","0.0983","","","","","","1.067","","","","has coordinates,has disorder","250947","2020-10-21","18:00:00",""
"1557826","14.3857","0.0007","14.7255","0.0006","19.1301","0.0009","84.837","0.002","88.064","0.002","61.889","0.002","3559.7","0.3","120","2","119.98","","","","","","","","","6","P -1","-P 1","2","","Dy2O@Cs(10528)-C72","","- C120 H56 Dy2 N4 Ni O -","- C120 H56 Dy2 N4 Ni O -","- C240 H112 Dy4 N8 Ni2 O2 -","2","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1011","0.0953","","","0.2726","0.28","","","","","","1.049","","","","has coordinates,has disorder","257392","2020-10-21","18:00:00",""
"1557827","17.914","0.002","16.589","0.002","25.753","0.003","90","","106.775","0.004","90","","7327.5","1.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dy2O@C2(13333)-C74","","- C117 H50 Dy2 N4 Ni O S2 -","- C117 H50 Dy2 N4 Ni O S2 -","- C468 H200 Dy8 N16 Ni4 O4 S8 -","4","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1495","0.1286","","","0.3121","0.3277","","","","","","1.129","","","","has coordinates","257392","2020-10-21","18:00:00",""
"1557828","10.5727","0.0005","12.998","0.0005","15.4783","0.0008","104.398","0.002","102.401","0.002","109.792","0.002","1831.32","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","1","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.069","0.0474","","","0.0999","0.1102","","","","","","1.065","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557829","16.711","0.0007","12.6971","0.0005","18.2586","0.0007","90","","99.327","0.004","90","","3822.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 N14 O4 -","- C86 H88 N14 O4 -","- C172 H176 N28 O8 -","2","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1226","0.0982","","","0.2234","0.2381","","","","","","1.17","","","","has coordinates,has disorder","257293","2020-10-21","18:00:00",""
"1557830","12.761","0.003","17.133","0.003","31.684","0.005","90","","93.976","0.01","90","","6911","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H92 N14 O6 -","- C78 H92 N14 O6 -","- C312 H368 N56 O24 -","4","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1191","0.0644","","","0.1483","0.1703","","","","","","1.045","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557831","11.866","0.003","11.883","0.003","6.3933","0.0015","90","","90","","90","","901.5","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.086","0.0448","","","0.0951","0.1108","","","","","","1.041","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557832","43.6284","0.0011","43.6284","0.0011","10.7942","0.0003","90","","90","","120","","17793.4","0.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C82 H92 N10 O8 -","- C82 H92 N10 O8 -","- C738 H828 N90 O72 -","9","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.0979","0.0706","","","0.1611","0.1751","","","","","","1.035","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557833","10.9587","0.0002","59.0761","0.001","22.009","0.0004","90","","101.952","0.002","90","","13939.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 N6 O7 -","- C53 H52 N6 O7 -","- C636 H624 N72 O84 -","12","3","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.97741","synchrotron","","0.0743","0.063","","","0.1718","0.1813","","","","","","1.047","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557834","19.2992","0.0009","19.3512","0.0013","27.206","0.0012","105.998","0.004","90.079","0.003","119.907","0.003","8348.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C208.5 H180 Fe8 N12 -","- C208.5 H179.5 Fe8 N12 -","- C417 H359 Fe16 N24 -","2","1","","Cook, Andrew W.; Bocarsly, Joshua D.; Lewis, Richard A.; Touchton, Alexander J.; Morochnik, Simona; Hayton, Trevor W.","An iron ketimide single-molecule magnet [Fe4(NCPh2)6] with suppressed through-barrier relaxation","Chemical Science","2020","11","18","4753","4757","10.1039/D0SC01578D","","","0.71073","MoKα","","0.2039","0.1596","","","0.3659","0.3992","","","","","","0.77","","","","has coordinates","257393","2020-10-21","18:00:00",""
"1557835","11.7058","0.0007","6.9904","0.0004","5.9153","0.0004","90","","100.159","0.002","90","","476.45","0.05","120","2","119.99","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl1.5 Fe0.5 H6 O3 -","- Cl1.5 Fe0.5 H6 O3 -","- Cl6 Fe2 H24 O12 -","4","0.5","","Afra, Salar; Samouei, Hamidreza; Truong, Phuc; Nasr-El-Din, Hisham","Micellar growth and network formation in acidic solutions of a sulfobetaine zwitterionic surfactant triggered by an inorganic salt.","Soft matter","2020","16","18","4494","4501","10.1039/d0sm00399a","","x-ray","0.71073","MoKα","","0.0306","0.0297","","","0.1156","0.117","","","","","","1.248","","","","has coordinates","252934","2020-10-21","18:00:00",""
"1557836","10.145","0.002","17.053","0.004","17.044","0.003","90","","102.029","0.008","90","","2883.9","1","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Al I2 N2 -","- C26 H43 Al I2 N2 -","- C104 H172 Al4 I8 N8 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0174","0.0151","","","0.0367","0.0385","","","","","","1.097","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557837","36.035","0.002","15.3951","0.0008","21.8876","0.0012","90","","104.19","0.003","90","","11771.9","1.1","103","","103","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H100 Al2 N4 O1.79 -","- C58 H100 Al2 N4 O1.801 -","- C464 H800 Al16 N32 O14.408 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0845","0.0582","","","0.144","0.1602","","","","","","1.04","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557838","13.5339","0.0006","13.5131","0.0006","18.1559","0.0006","90","","100.481","0.002","90","","3265","0.2","100","","100","","","","","","","","see text","4","P 1 2/c 1","-P 2yc","13","","","","- C72 H102 Al2 N4 -","- C72 H102 Al2 N4 -","- C144 H204 Al4 N8 -","2","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.046","0.0406","","","0.0962","0.0997","","","","","","1.043","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557839","21.6994","0.0018","15.8898","0.0018","20.777","0.002","90","","90.177","0.008","90","","7163.9","1.2","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 Al2 N6 -","- C70 H104 Al2 N6 -","- C280 H416 Al8 N24 -","4","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0884","0.0747","","","0.1843","0.1924","","","","","","1.129","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557840","12.4062","0.001","18.1378","0.0016","24.62","0.002","90","","101.846","0.003","90","","5422","0.8","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 Al2 N4 -","- C54 H90 Al2 N4 -","- C216 H360 Al8 N16 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0949","0.0645","","","0.1672","0.1923","","","","","","1.019","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557841","35.126","0.003","15.4352","0.0011","21.8147","0.0017","90","","109.512","0.004","90","","11148.2","1.5","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H93 Al2 N4 -","- C55 H93 Al2 N4 -","- C440 H744 Al16 N32 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0536","0.0471","","","0.1268","0.1328","","","","","","1.028","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557842","21.1709","0.0008","21.2048","0.0008","18.2698","0.0007","90","","100.139","0.001","90","","8073.7","0.5","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H55 K2 N2 O2 Si8 -","- C23 H55 K2 N2 O2 Si8 -","- C184 H440 K16 N16 O16 Si64 -","8","1","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","0.71073","MoKα","","0.041","0.0299","","","0.0652","0.0691","","","","","","1.037","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557843","8.9604","0.0002","16.9073","0.0003","12.2222","0.0003","90","","109.493","0.002","90","","1745.49","0.07","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 N O Rb Si4 -","- C8 H24 N O Rb Si4 -","- C32 H96 N4 O4 Rb4 Si16 -","4","1","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","1.54186","CuKα","","0.0435","0.0406","","","0.1159","0.1176","","","","","","1.076","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557844","12.9603","0.0002","15.1185","0.0002","17.6321","0.0003","90","","110.328","0.001","90","","3239.67","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N Na O Si4 -","- C8 H24 N Na O Si4 -","- C64 H192 N8 Na8 O8 Si32 -","8","2","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","1.54186","CuKα","","0.0405","0.0255","","","0.0539","0.0555","","","","","","0.786","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557845","8.9537","0.0003","17.4898","0.0005","12.2613","0.0004","90","","110.183","0.003","90","","1802.2","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cs N O Si4 -","- C8 H24 Cs N O Si4 -","- C32 H96 Cs4 N4 O4 Si16 -","4","1","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","1.54186","CuKα","","0.1115","0.0932","","","0.2423","0.2507","","","","","","0.948","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557846","10.2536","0.0005","12.3598","0.0005","18.9999","0.0008","90","","92.488","0.002","90","","2405.63","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 N2 Na2 O4 Si12 -","- C24 H72 N2 Na2 O4 Si12 -","- C48 H144 N4 Na4 O8 Si24 -","2","0.5","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","x-ray","0.71073","MoKα","","0.0391","0.0291","","","0.0781","0.0811","","","","","","1.102","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557847","16.7588","0.0004","23.4597","0.0005","8.7769","0.0002","90","","98.771","0.001","90","","3410.34","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","HB4345","Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S.","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","IUCrData","2020","5","4","x200526","","10.1107/S241431462000526X","","","0.71073","MoKα","","0.1723","0.0797","","","0.1648","0.2005","","","","","","1.03","","","","has coordinates,has Fobs","251012","2020-10-21","18:00:00",""
"1557852","18","0.006","9.537","0.003","7.754","0.003","90","","90","","90","","1331.1","0.8","182","2","181.65","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 O6 S -","- C13 H14 O6 S -","- C52 H56 O24 S4 -","4","1","","Yuan, Wei-Hua; Teng, Meng-Ting; Yun, Yang-Fang; Jiang, Nan; Ma, Lin; Sun, Shan-Shan; Yuan, Bo; Tang, Jian; Wu, Qian-Yu; Li, Qian; Zhang, Peng; Morris-Natschke, Susan L; Lee, Kuo-Hsiung","Talarolactone A, an Isocoumarin Derivative Fused with Dihydrothiophene with Selective Antimigratory Activity from the Endolichenic Fungus <i>Talaromyces</i> sp.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00024","","","0.71073","MoKα","","0.0768","0.0559","","","0.1146","0.1239","","","","","","1.047","","","","has coordinates","251046","2020-10-21","18:00:00",""
"1557853","8.5031","0.0011","8.6453","0.0011","9.5875","0.0013","82.846","0.003","86.058","0.003","88.035","0.003","697.42","0.16","153","","153.02","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C30 H48 O8 -","2","1","","Xu, Hong-Bo; Yang, Tong-Hua; Xie, Pei; Tang, Zhi-Shu; Xu, Huai-Li; Deng, Chong; Liang, Yan-Ni; Zhou, Rui; Liu, Shi-Jun; Zhang, Yu","Cyperane-Type and Related (Nor)Sesquiterpenoids from the Root Bark of Acanthopanax gracilistylus and Their Inhibitory Effects on Nitric Oxide Production","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00913","","","1.54178","CuKα","","0.0654","0.0418","","","0.1122","0.1205","","","","","","1.173","","","","has coordinates","251047","2020-10-21","18:00:00",""
"1557854","17.226","0.0019","5.4934","0.0005","14.4457","0.0017","90","","111.841","0.008","90","","1268.9","0.2","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0582","0.0538","","","0.1381","0.1432","","","","","","1.128","","","","has coordinates","251048","2020-10-21","18:00:00",""
"1557855","6.6612","0.0004","11.0697","0.0006","9.6314","0.0005","90","","103.76","0.001","90","","689.81","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","","","0.0303","0.0301","","","0.0773","0.0776","","","","","","1.047","","","","has coordinates","251049","2020-10-21","18:00:00",""
"1557856","7.2833","0.0004","11.5034","0.0006","9.4902","0.0005","90","","101.578","0.001","90","","778.94","0.07","151","2","151","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O6 -","- C16 H24 O6 -","- C32 H48 O12 -","2","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0245","0.0245","","","0.0623","0.0623","","","","","","1.022","","","","has coordinates","251050","2020-10-21","18:00:00",""
"1557857","7.4807","0.0002","11.5246","0.0003","31.2716","0.0009","90","","90","","90","","2695.99","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0575","0.0558","","","0.1491","0.1498","","","","","","1.031","","","","has coordinates","251051","2020-10-21","18:00:00",""
"1557858","3.8397","0.0008","7.7446","0.0015","13.585","0.003","90","","93.79","0.03","90","","403.09","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H3 N3 -","- C9 H3 N3 -","- C18 H6 N6 -","2","1","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","","0.71073","MoKα","","0.0547","0.0332","","","0.0697","0.0794","","","","","","1.086","","","","has coordinates","251053","2020-10-21","18:00:00",""
"1557859","3.909","0.004","11.97","0.013","14.614","0.014","89.88","0.04","85.59","0.03","89.86","0.03","681.8","1.2","297","2","297.2","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","x-ray","0.71073","MoKα","","0.1167","0.0568","","","0.1177","0.1433","","","","","","1.028","","","","has coordinates","251054","2020-10-21","18:00:00",""
"1557860","3.781","0.003","6.45","0.005","7.27","0.005","114.297","0.013","92.785","0.015","97.812","0.016","159","0.2","100","2","100.01","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C8 H4 N2 -","1","0.5","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","x-ray","0.71073","MoKα","","0.055","0.0503","","","0.1362","0.1415","","","","","","1.077","","","","has coordinates","251055","2020-10-21","18:00:00",""
"1557861","14.125","0.014","3.844","0.004","14.305","0.015","90","","119.046","0.017","90","","679","1.2","101","2","100.99","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","x-ray","0.71073","MoKα","","0.1345","0.11","","","0.3139","0.3359","","","","","","1.152","","","","has coordinates","251056","2020-10-21","18:00:00",""
"1557862","18.8949","0.0006","10.1078","0.0004","23.9918","0.0007","90","","90","","90","","4582.1","0.3","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H35 Al N6 -","- C20 H35 Al N6 -","- C160 H280 Al8 N48 -","8","2","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.0751","0.0463","","","0.0949","0.1064","","","","","","1.003","","","","has coordinates","257207","2020-10-21","18:00:00",""
"1557863","18.637","0.003","9.384","0.0019","26.354","0.004","90","","125.325","0.0012","90","","3760.4","1.1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H44 Al2 N6 -","- C33.5 H44 Al2 N6 -","- C134 H176 Al8 N24 -","4","1","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.2079","0.0827","","","0.2149","0.2845","","","","","","0.983","","","","has coordinates,has disorder","257207","2020-10-21","18:00:00",""
"1557864","18.3672","0.0015","14.0583","0.0012","17.9736","0.0014","90","","118.814","0.001","90","","4066.4","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O S -","- C44 H59 In N2 O S -","- C176 H236 In4 N8 O4 S4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0773","0.055","","","0.134","0.1437","","","","","","1.067","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557865","17.5732","0.0015","13.8493","0.0011","18.4226","0.0015","90","","117.891","0.002","90","","3962.8","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O2 -","- C44 H59 In N2 O2 -","- C176 H236 In4 N8 O8 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0523","0.0369","","","0.0801","0.0887","","","","","","1.054","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557866","18.402","0.0006","13.9008","0.0005","18.4542","0.0007","90","","119.051","0.002","90","","4126.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H61 In N2 O -","- C46 H61 In N2 O -","- C184 H244 In4 N8 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0354","0.0273","","","0.0603","0.0637","","","","","","1.032","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557867","18.3804","0.0016","13.9887","0.0012","18.328","0.002","90","","119.839","0.002","90","","4087.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 In N3 O -","- C45 H60 In N3 O -","- C180 H240 In4 N12 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0462","0.037","","","0.0755","0.0792","","","","","","1.077","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557868","12.616","0.003","13.343","0.003","26.255","0.005","80.163","0.003","76.369","0.003","85.869","0.003","4229.7","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H92 B F24 In N2 O6 -","- C88 H92 B F24 In N2 O6 -","- C176 H184 B2 F48 In2 N4 O12 -","2","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0983","0.0794","","","0.2047","0.214","","","","","","1.036","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557869","21.874","0.005","15.366","0.003","8.915","0.003","90","","90","","90","","2996.5","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C112 H136 Br8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0325","0.0272","","","0.0697","0.0727","","","","","","1.065","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557870","11.6398","0.0008","18.4868","0.0013","16.2027","0.0011","90","","109.07","0.003","90","","3295.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl8 N O4 Sb -","- C26 H25 Cl8 N O4 Sb -","- C104 H100 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0338","0.0312","","","0.0781","0.08","","","","","","1.061","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557871","18.383","0.0016","13.3271","0.0012","20.1022","0.0018","90","","90","","90","","4924.9","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 Cl2 N O4 -","- C26 H25 Cl2 N O4 -","- C208 H200 Cl16 N8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0437","0.0384","","","0.1025","0.1076","","","","","","1.033","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557872","10.089","0.0004","11.8293","0.0005","13.7884","0.0006","97.567","0.001","107.754","0.001","95.274","0.001","1538.29","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 F6 N O4 -","- C32 H33 F6 N O4 -","- C64 H66 F12 N2 O8 -","2","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.046","0.0406","","","0.1065","0.1114","","","","","","1.039","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557873","10.3036","0.0006","18.9257","0.0011","13.0352","0.0007","90","","94.843","0.002","90","","2532.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O6 -","- C28 H31 N O6 -","- C112 H124 N4 O24 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71075","MoKα","","0.0769","0.051","","","0.1285","0.1593","","","","","","0.597","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557874","11.7241","0.0003","12.3047","0.0003","18.3432","0.0005","90","","100.077","0.001","90","","2605.4","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F6 N O4 -","- C28 H25 F6 N O4 -","- C112 H100 F24 N4 O16 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0429","0.0385","","","0.099","0.1032","","","","","","1.031","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557875","11.84","0.002","14.543","0.003","18.231","0.003","97.047","0.003","105.059","0.003","102.364","0.003","2907.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl2 N O4 -","- C30 H32.329 Cl2 N O4 -","- C120 H129.316 Cl8 N4 O16 -","4","2","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1323","0.061","","","0.1674","0.2302","","","","","","0.782","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557876","12.156","0.003","15.548","0.003","19.482","0.004","90","","90.77","0.004","90","","3681.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl8 N O4 Sb -","- C30 H33 Cl8 N O4 Sb -","- C120 H132 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1333","0.0573","","","0.0894","0.1058","","","","","","0.9","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557882","31.3214","0.0009","17.9026","0.0007","12.675","0.0006","90","","90","","90","","7107.3","0.5","100","6","100","6","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C54 H75 N9 O13 -","- C54 H75 N9 O13 -","- C216 H300 N36 O52 -","4","1","","Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying","Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00151","","x-ray","1.54184","CuKα","","0.0796","0.0576","","","0.1587","0.1727","","","","","","1.026","","","","has coordinates","251097","2020-10-21","18:00:00",""
"1557883","26.0693","0.0002","25.2634","0.0002","19.77155","0.00018","90","","90","","90","","13021.5","0.19","100","8","100","8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C54 H75 N9 O13 -","- C54 H75 N9 O13 -","- C432 H600 N72 O104 -","8","2","","Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying","Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00151","","","1.54184","CuKα","","0.0596","0.0494","","","0.1273","0.1335","","","","","","1.008","","","","has coordinates,has disorder","251098","2020-10-21","18:00:00",""
"1557884","9.53453","0.00007","5.13144","0.00004","18.92992","0.00013","90","","95.899","0.0007","90","","921.258","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl O8 -","- C19 H21 Cl O8 -","- C38 H42 Cl2 O16 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0234","0.0233","","","0.0624","0.0625","","","","","","1.037","","","","has coordinates","251099","2020-10-21","18:00:00",""
"1557885","13.1677","0.0004","15.9113","0.0004","20.4458","0.0006","90","","90","","90","","4283.7","0.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H28 Cl O7 -","- C20.5 H28 Cl O7 -","- C164 H224 Cl8 O56 -","8","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.1315","0.1123","","","0.2542","0.2631","","","","","","1.334","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1557886","6.6956","0.0002","11.5295","0.0003","11.5446","0.0003","90","","90.49","0.001","90","","891.17","0.04","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl O6 -","- C18 H21 Cl O6 -","- C36 H42 Cl2 O12 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0533","0.0395","","","0.0934","0.1211","","","","","","1.177","","","","has coordinates","251101","2020-10-21","18:00:00",""
"1557887","5.3318","0.0016","22.504","0.006","15.235","0.004","90","","94.614","0.017","90","","1822.1","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O8.5 -","- C18 H22 O8.5 -","- C72 H88 O34 -","4","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.1925","0.1078","","","0.2324","0.2825","","","","","","1.022","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1557888","8.6811","0.0003","9.5462","0.0002","10.951","0.0004","69.576","0.003","84.021","0.003","68.822","0.003","792.79","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H19 Cl O6 -","- C16 H19 Cl O6 -","- C32 H38 Cl2 O12 -","2","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.068","0.0681","","","","","","1.067","","","","has coordinates","251103","2020-10-21","18:00:00",""
"1557889","8.9035","0.0004","9.1206","0.0004","11.7648","0.0005","90","","110.431","0.002","90","","895.26","0.07","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl O7 -","- C18 H21 Cl O7 -","- C36 H42 Cl2 O14 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0327","0.031","","","0.0831","0.0935","","","","","","1.117","","","","has coordinates","251104","2020-10-21","18:00:00",""
"1557890","36.0878","0.0007","10.8258","0.0001","26.8601","0.0009","90","","131.699","0.003","90","","7835.1","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 Cl O6 -","- C20 H23 Cl O6 -","- C320 H368 Cl16 O96 -","16","4","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0567","0.0482","","","0.138","0.1452","","","","","","1.054","","","","has coordinates,has disorder","251105","2020-10-21","18:00:00",""
"1557891","5.0563","0.0001","19.3072","0.0004","19.3617","0.0004","90","","90","","90","","1890.15","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl O8 -","- C19 H23 Cl O8 -","- C76 H92 Cl4 O32 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0505","0.0449","","","0.1159","0.1195","","","","","","1.055","","","","has coordinates","251106","2020-10-21","18:00:00",""
"1557892","8.4937","0.0002","13.9436","0.0003","16.0615","0.0003","90","","90","","90","","1902.21","0.07","297","2","297.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.042","0.0314","","","0.0875","0.1051","","","","","","1.177","","","","has coordinates","251107","2020-10-21","18:00:00",""
"1557893","5.53373","0.00007","14.7351","0.0002","23.2466","0.0004","90","","90","","90","","1895.53","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0402","0.0336","","","0.0842","0.0875","","","","","","1.055","","","","has coordinates","251108","2020-10-21","18:00:00",""
"1557894","21.5791","0.0002","21.5791","0.0002","8.5971","0.0001","90","","90","","120","","3466.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 63","P 6c","173","","","","- C20 H25 Cl O6 -","- C20 H25 Cl O6 -","- C120 H150 Cl6 O36 -","6","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0276","0.0264","","","0.069","0.0697","","","","","","1.091","","","","has coordinates","251109","2020-10-21","18:00:00",""
"1557895","45.216","0.002","6.5755","0.0003","9.061","0.0004","90","","95.407","0.003","90","","2682","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H48 O4 -","- C28 H48 O4 -","- C112 H192 O16 -","4","1","","Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Wu, Gang; Yang, Zhu-Liang; Chen, Ji-Jun","Spiroseoflosterol, a Rearranged Ergostane-Steroid from the Fruiting Bodies of Butyriboletus roseoflavus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01282","","","1.54178","CuKα","","0.1239","0.068","","","0.1451","0.1767","","","","","","1.04","","","","has coordinates","251110","2020-10-21","18:00:00",""
"1557898","13.0883","0.0002","14.8329","0.0003","19.5325","0.0003","90","","90","","90","","3791.99","0.11","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution","Chemical Science","2020","11","19","5037","5042","10.1039/D0SC01572E","","x-ray","0.71073","MoKα","","0.0792","0.0623","","","0.1908","0.2051","","","","","","1.129","","","","has coordinates,has disorder","257329","2020-10-21","18:00:00",""
"1557899","10.5566","0.0006","14.6779","0.0013","14.7391","0.0008","109.074","0.004","108.271","0.003","97.907","0.004","1974.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","1","0.5","","Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don","Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates","Chemical Science","2020","11","19","5043","5051","10.1039/D0SC00997K","","","0.71073","MoKα","","0.111","0.0638","","","0.1723","0.2002","","","","","","1.056","","","","has coordinates","257330","2020-10-21","18:00:00",""
"1557900","14.0809","0.0007","10.9917","0.0004","17.1659","0.0008","90","","108.846","0.005","90","","2514.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F3 N3 O -","- C30 H26 F3 N3 O -","- C120 H104 F12 N12 O4 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0774","0.0615","","","0.1401","0.1466","","","","","","1.106","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557901","37.632","0.001","14.8891","0.0004","13.0219","0.0004","90","","90","","90","","7296.3","0.4","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 F9 N O -","- C42 H34 F9 N O -","- C336 H272 F72 N8 O8 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.1062","0.0697","","","0.1559","0.1699","","","","","","1.071","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557902","13.5226","0.0005","14.169","0.0005","17.1029","0.0005","103.45","0.003","107.34","0.003","103.234","0.003","2881","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N2 O2 -","- C34 H42 N2 O2 -","- C136 H168 N8 O8 -","4","2","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C–H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.1427","0.0768","","","0.1775","0.2124","","","","","","1.061","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557903","9.7571","0.0001","10.1037","0.0001","19.23","0.0003","86.6","0.001","88.612","0.001","81.412","0.001","1870.97","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 F9 N2 O -","- C43 H35 F9 N2 O -","- C86 H70 F18 N4 O2 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.061","0.0465","","","0.1209","0.1286","","","","","","1.059","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557904","12.9747","0.0002","12.3749","0.0002","17.7595","0.0003","90","","101.948","0.0017","90","","2789.71","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C124 H168 N8 O16 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0374","0.0343","","","0.0866","0.0887","","","","","","1.035","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557905","10.4974","0.0004","24.3","0.0006","11.3737","0.0004","90","","109.196","0.004","90","","2739.97","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C128 H160 N8 O8 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0432","0.0347","","","0.0817","0.0866","","","","","","1.026","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557906","8.974","0.0002","11.737","0.0003","14.0121","0.0003","113.955","0.002","97.7538","0.0017","91.349","0.002","1331.4","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H39 N3 O2 -","- C31 H39 N3 O2 -","- C62 H78 N6 O4 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0402","0.0365","","","0.0927","0.0949","","","","","","1.028","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557907","16.4161","0.0009","12.4001","0.0008","25.3104","0.0017","90","","90","","90","","5152.2","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 N3 O2 -","- C29 H37 N3 O2 -","- C232 H296 N24 O16 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.094","0.0484","","","0.0932","0.1093","","","","","","1.017","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557908","19.0673","0.0003","26.1197","0.0006","15.5005","0.0003","90","","90","","90","","7719.7","0.3","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","CdTzTz","","- C38 H32 Cd N6 O6 S3 -","- C38 H32 Cd N6 O6 S3 -","- C304 H256 Cd8 N48 O48 S24 -","8","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","MoKα","","0.0852","0.0804","","","0.2123","0.2173","","","","","","1.079","","","","has coordinates,has disorder","257345","2020-10-21","18:00:00",""
"1557909","5.665","0.0011","7.55","0.0015","22.845","0.005","80.52","0.03","86.53","0.03","88.94","0.03","962","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","BPPTzTz","","- C26 H16 N4 S2 -","- C26 H16 N4 S2 -","- C52 H32 N8 S4 -","2","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","Synchrotron","","0.0707","0.06","","","0.1545","0.164","","","","","","1.013","","","","has coordinates","257345","2020-10-21","18:00:00",""
"1557910","10.3567","0.0008","12.1184","0.0009","22.4299","0.0015","91.283","0.006","95.977","0.007","110.754","0.008","2612.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H66 Br4 O10 -","- C53 H66 Br4 O10 -","- C106 H132 Br8 O20 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Pillar[5]arene-based self-assembled linear supramolecular polymer driven by guest halogen‒halogen interactions in solid and solution states","Polymer Chemistry","2020","11","19","3305","3312","10.1039/D0PY00327A","","","0.71075","MoKα","","0.1513","0.0653","","","0.1549","0.179","","","","","","0.905","","","","has coordinates","257941","2020-10-21","18:00:00",""
"1557911","13.7399","0.0012","13.7733","0.0013","17.2885","0.0016","81.371","0.004","73.997","0.003","86.306","0.004","3108.4","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H74 N10 Ni2 O7 -","- C62 H74 N10 Ni2 O7 -","- C124 H148 N20 Ni4 O14 -","2","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.0822","0.0516","","","0.1344","0.153","","","","","","1.022","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557912","27.59","0.002","11.4039","0.0009","17.0846","0.0014","90","","101.68","0.004","90","","5264.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H72 N8 Ni2 O8 -","- C51 H72 N8 Ni2 O8 -","- C204 H288 N32 Ni8 O32 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.0892","0.0655","","","0.1688","0.1855","","","","","","1.023","","","","has coordinates,has disorder","257950","2020-10-21","18:00:00",""
"1557913","13.8204","0.0007","14.046","0.0008","17.8074","0.001","98.3638","0.0019","99.7094","0.0018","99.0951","0.0019","3311.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H80 Cl2 N10 Ni2 O6 -","- C65 H80 Cl2 N10 Ni2 O6 -","- C130 H160 Cl4 N20 Ni4 O12 -","2","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71076","MoKα","","0.0886","0.0572","","","0.1455","0.1661","","","","","","1.027","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557914","16.442","0.003","28.884","0.005","11.4674","0.0018","90","","108.553","0.006","90","","5163","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N8 Ni2 O8 -","- C52 H74 N8 Ni2 O8 -","- C208 H296 N32 Ni8 O32 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71076","MoKα","","0.1214","0.0755","","","0.1397","0.1557","","","","","","1.032","","","","has coordinates,has disorder","257950","2020-10-21","18:00:00",""
"1557915","13.3819","0.0004","22.5315","0.0007","19.0121","0.0008","90","","95.058","0.003","90","","5710.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 N8 Ni2 O10 -","- C55 H84 N8 Ni2 O10 -","- C220 H336 N32 Ni8 O40 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.1296","0.0642","","","0.1224","0.1483","","","","","","1.023","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557916","9.0597","0.0003","9.4554","0.0004","21.1518","0.0008","90","","90","","90","","1811.93","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Liu, Ya-Pei; Dai, Quan; Wang, Wen-Xuan; He, Juan; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Psathyrins: Antibacterial Diterpenoids from <i>Psathyrella candolleana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00269","","","1.54178","CuKα","","0.0393","0.0377","","","0.0982","0.1004","","","","","","1.035","","","","has coordinates","251181","2020-10-21","18:00:00",""
"1557917","14.6569","0.0014","15.3071","0.0012","24.9808","0.0012","89.021","0.005","79.724","0.007","74.797","0.008","5319.1","0.7","250.01","0.1","250.01","0.1","","","","","","","","4","P -1","-P 1","2","","TDIC15","","- C207.72 H199.72 N8 O16 -","- C207.766 H199.812 N8 O16 -","- C207.766 H199.812 N8 O16 -","1","0.5","","Bae, Youn Jue; Zhao, Xingang; Kryzaniak, Matthew D.; Nagashima, Hiroki; Strzalka, Joseph; Zhang, Qingteng; Wasielewski, Michael R.","Spin Dynamics of Quintet and Triplet States Resulting from Singlet Fission in Oriented Terrylenediimide and Quaterrylenediimide Films","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03189","","x-ray","1.54178","CuKα","","0.2732","0.2192","","","0.5346","0.5682","","","","","","1.942","","","","has coordinates","251184","2020-10-21","18:00:00",""
"1557921","12.6264","0.0001","21.0187","0.0002","15.1875","0.0001","90","","104.475","0.001","90","","3902.67","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H86 N12 O16 -","- C70 H86 N12 O16 -","- C140 H172 N24 O32 -","2","1","","Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying","Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00194","","","1.54184","CuKα","","0.0638","0.0511","","","0.1415","0.1478","","","","","","1.063","","","","has coordinates","251191","2020-10-21","18:00:00",""
"1557922","12.5668","0.0002","20.9262","0.0003","15.2207","0.0002","90","","103.722","0.002","90","","3888.43","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H88 N12 O16 -","- C72 H88.0031 N12 O16 -","- C144 H176.006 N24 O32 -","2","1","","Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying","Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00194","","x-ray","1.54184","CuKα","","0.0526","0.0452","","","0.1209","0.1262","","","","","","1.04","","","","has coordinates,has disorder","251192","2020-10-21","18:00:00",""
"1557923","9.9378","0.0009","9.9882","0.0008","17.7699","0.0015","93.791","0.003","94.905","0.003","98.931","0.003","1730.4","0.3","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0571","0.0457","","","0.117","0.1244","","","","","","1.051","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557924","10.4193","0.0006","21.2154","0.0012","17.2115","0.0008","90","","99.801","0.002","90","","3749.1","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 Cl3 Si2 -","- C43 H31 Cl3 Si2 -","- C172 H124 Cl12 Si8 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0765","0.0491","","","0.1189","0.1333","","","","","","1.03","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557925","8.5423","0.0011","10.4335","0.0014","16.821","0.002","76.313","0.005","77.803","0.005","83.761","0.005","1421","0.3","150","","150","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C34 H36 Si -","- C34 H36 Si -","- C68 H72 Si2 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0648","0.0477","","","0.1191","0.1301","","","","","","1.029","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557926","8.5611","0.0008","10.3957","0.001","14.5334","0.0013","94.453","0.003","104.612","0.003","98.456","0.003","1229.1","0.2","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0628","0.0479","","","0.1201","0.1302","","","","","","1.034","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557927","7.5855","0.0009","8.3989","0.0011","17.377","0.002","90.902","0.005","91.564","0.005","91.339","0.004","1106.2","0.2","150","2","150","2","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C14 H14 -","- C14 H14 -","- C56 H56 -","4","2","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0605","0.0506","","","0.1353","0.142","","","","","","1.049","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557928","9.3055","0.0016","10.3538","0.0015","18.151","0.003","90","","90","","90","","1748.8","0.5","150","","150","","","","","","","","synthesis as described","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0433","0.0359","","","0.087","0.0924","","","","","","1.029","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557937","9.8333","0.0003","10.2552","0.0003","20.877","0.0007","90","","90","","90","","2105.29","0.11","150","2","149.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N3 O3 S2 -","- C20 H27 N3 O3 S2 -","- C80 H108 N12 O12 S8 -","4","1","","Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming","Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00046","","","1.54178","CuKα","","0.0394","0.0359","","","0.0879","0.0898","","","","","","1.067","","","","has coordinates","251238","2020-10-21","18:00:00",""
"1557938","6.2397","0.0005","10.6635","0.001","12.6809","0.0011","90","","93.931","0.005","90","","841.76","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O3 S2 -","- C17 H19 N3 O3 S2 -","- C34 H38 N6 O6 S4 -","2","1","","Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming","Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00046","","","1.54184","CuKα","","0.0623","0.0592","","","0.1538","0.1568","","","","","","1.062","","","","has coordinates","251239","2020-10-21","18:00:00",""
"1557943","12.8993","0.0005","15.9751","0.0007","17.3394","0.0007","90","","97.371","0.003","90","","3543.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F24 O10 Th -","- C24 H14 F24 O10 Th -","- C96 H56 F96 O40 Th4 -","4","0.5","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0394","0.0296","","","0.0536","0.0569","","","","","","1.073","","","","has coordinates,has disorder","257390","2020-10-21","18:00:00",""
"1557944","17.4457","0.0004","17.4457","0.0004","29.8629","0.0009","90","","90","","90","","9088.8","0.4","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H4 F24 O8 U -","- C20 H4 F24 O8 U -","- C240 H48 F288 O96 U12 -","12","0.75","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0911","0.0543","","","0.1361","0.1667","","","","","","1.016","","","","has coordinates","257390","2020-10-21","18:00:00",""
"1557951","4.7673","0.0011","9.5601","0.0019","31.386","0.006","90","","92.31","0.02","90","","1429.3","0.5","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H19 O6 -","- C60 H76 O24 -","4","2","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.1156","0.0882","","","0.2019","0.2243","","","","","","1.056","","","","has coordinates,has disorder","252933","2020-10-21","18:00:00",""
"1557952","8.92283","0.00014","4.60123","0.00007","17.4539","0.0003","90","","92.9088","0.0015","90","","715.66","0.02","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C28 H40 O16 -","2","1","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.066","0.0665","","","","","","1.064","","","","has coordinates","252933","2020-10-21","18:00:00",""
"1557955","23.4927","0.0005","23.4927","0.0005","32.5166","0.0007","90","","90","","120","","15541.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C87 H77.33 F6 N12 O23.67 Ru3 -","- C87 H77.3322 F6 N12 O23.6661 Ru3 -","- C522 H463.993 F36 N72 O141.997 Ru18 -","6","0.333333","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0395","0.0385","","","0.1171","0.1181","","","","","","1.157","","","","has coordinates,has disorder","257278","2020-10-21","18:00:00",""
"1557956","15.9552","0.0003","18.9386","0.0004","21.0317","0.0004","65.145","0.001","87.292","0.001","76.631","0.001","5601.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H48 F6 N12 O12 Ru3 -","- C84 H48 F6 N12 O12 Ru3 -","- C168 H96 F12 N24 O24 Ru6 -","2","1","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0526","0.0407","","","0.0938","0.0997","","","","","","1.026","","","","has coordinates","257278","2020-10-21","18:00:00",""
"1557959","7.2106","0.0008","35.399","0.004","7.0277","0.0008","90","","90","","90","","1793.8","0.3","88","2","88","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H20 N Na O10 S -","- C12 H20 N Na O10 S -","- C48 H80 N4 Na4 O40 S4 -","4","1","","Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.","Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00143","","","0.71073","MoKα","","0.0486","0.0465","","","0.0971","0.0982","","","","","","1.049","","","","has coordinates","251307","2020-10-21","18:00:00",""
"1557960","7.8456","0.0003","11.4365","0.0004","17.3203","0.0006","85.3061","0.0004","88.1049","0.0004","72.1013","0.0004","1473.86","0.09","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 N2 Na O8.5 S -","- C12 H12 N2 Na O8.5 S -","- C48 H48 N8 Na4 O34 S4 -","4","2","","Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.","Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00143","","","0.71073","MoKα","","0.0318","0.0295","","","0.0795","0.0813","","","","","","1.042","","","","has coordinates","283778","2023-05-15","10:49:46",""
"1557961","11.6036","0.0004","12.4468","0.0004","14.8235","0.0005","83.0917","0.0004","83.3753","0.0004","89.1925","0.0004","2111.19","0.12","88","2","88","2","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H20 Cl N O2 -","- C28.5 H20 Cl N O2 -","- C114 H80 Cl4 N4 O8 -","4","2","","Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.","Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00143","","","0.71073","MoKα","","0.0602","0.054","","","0.1418","0.1473","","","","","","1.054","","","","has coordinates,has disorder","251309","2020-10-21","18:00:00",""
"1557965","14.8573","0.0013","8.7978","0.0007","20.6966","0.0018","90","","101.128","0.001","90","","2654.4","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 Cl N O Sc Si -","- C25 H41 Cl N O Sc Si -","- C100 H164 Cl4 N4 O4 Sc4 Si4 -","4","1","","Wang, Yang; Zhou, Chulu; Cheng, Jianhua","Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02602","","","0.71073","MoKα","","0.0603","0.0499","","","0.1329","0.1427","","","","","","1.037","","","","has coordinates","251331","2020-10-21","18:00:00",""
"1557966","11.2926","0.0014","14.8104","0.0018","16.26","0.002","79.75","0.003","89.746","0.002","77.906","0.003","2615.1","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H80 Cl2 N2 O2 Sc2 Si2 -","- C50 H80 Cl2 N2 O2 Sc2 Si2 -","- C100 H160 Cl4 N4 O4 Sc4 Si4 -","2","1","","Wang, Yang; Zhou, Chulu; Cheng, Jianhua","Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02602","","","0.71073","MoKα","","0.1509","0.077","","","0.1594","0.1995","","","","","","0.986","","","","has coordinates","251331","2020-10-21","18:00:00",""
"1557967","9.0773","0.0003","20.9604","0.0006","9.2929","0.0004","90","","112.088","0.004","90","","1638.34","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Li2 N2 O4 -","- C32 H52 Li2 N2 O4 -","- C64 H104 Li4 N4 O8 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.117","0.1047","","","0.3328","0.3569","","","","","","1.539","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557968","9.7406","0.0004","10.9189","0.0004","14.1465","0.0007","90","","107.012","0.005","90","","1438.74","0.11","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Li2 N6 O2 -","- C30 H36 Li2 N6 O2 -","- C60 H72 Li4 N12 O4 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.072","0.0591","","","0.1634","0.183","","","","","","1.058","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557969","10.2268","0.0004","19.0435","0.0007","10.7658","0.0005","90","","102.453","0.004","90","","2047.36","0.15","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 Li2 N2 O4 -","- C44 H59.145 Li2 N2 O4 -","- C88 H118.29 Li4 N4 O8 -","2","1","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.108","0.0987","","","0.2735","0.2948","","","","","","1.225","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557970","9.5878","0.0002","9.9347","0.0002","9.9435","0.0002","105.659","0.002","94.885","0.001","95.34","0.002","902","0.03","173.01","0.1","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","1","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.0462","0.0393","","","0.1038","0.112","","","","","","1.065","","","","has coordinates","256042","2020-10-21","18:00:00",""
"1557971","6.8004","0.0009","11.9948","0.0015","21.5","0.003","90","","95.373","0.004","90","","1746","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F6 N2 P -","- C17 H17 F6 N2 P -","- C68 H68 F24 N8 P4 -","4","1","","Zhang, Ruoyao; Niu, Guangle; Lu, Qing; Huang, Xiaolin; Chau, Joe H. C.; Kwok, Ryan T. K.; Yu, Xiaoqiang; Li, Min-Hui; Lam, Jacky W. Y.; Tang, Ben Zhong","Cancer cell discrimination and dynamic viability monitoring through wash-free bioimaging using AIEgens","Chemical Science","2020","11","29","7676","7684","10.1039/D0SC01213K","","","1.54178","CuKα","","0.0876","0.0851","","","0.2292","0.2315","","","","","","1.048","","","","has coordinates","257280","2020-10-21","18:00:00",""
"1557972","9.8666","0.0013","9.9949","0.0009","11.3565","0.0017","90","","114.722","0.018","90","","1017.3","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C52 H38 N2 O2 S2 -","2","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1435","0.0593","","","0.106","0.147","","","","","","1.026","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557973","10.0379","0.0013","9.5393","0.0009","16.2242","0.0019","90","","104.646","0.012","90","","1503.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 S -","- C18 H20 S -","- C72 H80 S4 -","4","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1534","0.1084","","","0.2911","0.3453","","","","","","1.094","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557975","11.30672","0.0001","15.29988","0.00014","15.58799","0.00014","63.3059","0.0009","87.7117","0.0007","83.0788","0.0007","2391.32","0.04","200.01","0.1","200.01","0.1","","","","","","","","7","P -1","-P 1","2","","Ag10-Mo6","","- C44 H84 Ag10 Mo12 N10 O38 S6 -","- C44 H84 Ag10 Mo12 N10 O38 S6 -","- C44 H84 Ag10 Mo12 N10 O38 S6 -","1","0.5","","Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.","Nanoscale","2020","12","20","10944","10948","10.1039/d0nr00342e","","x-ray","1.54184","CuKα","","0.0461","0.0443","","","0.1126","0.1145","","","","","","1.08","","","","has coordinates","252849","2020-10-21","18:00:00",""
"1557976","27.3167","0.0002","19.80926","0.00014","27.71777","0.00016","90","","90","","90","","14998.7","0.18","200","0.1","200","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","Ag18-Mo6","","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C248 H516 Ag72 Mo72 N28 O228 S48 -","4","0.5","","Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.","Nanoscale","2020","12","20","10944","10948","10.1039/d0nr00342e","","x-ray","1.54184","CuKα","","0.0545","0.0515","","","0.1275","0.1291","","","","","","1.102","","","","has coordinates,has disorder","252849","2020-10-21","18:00:00",""
"1557980","13.93535","0.00018","13.93535","0.00018","13.1629","0.0003","90","","90","","90","","2556.16","0.07","293","2","293","2","","","","","","","","3","I -4","I -4","82","2,3-Diethylbenzo[g]quinoxaline","2,3-Diethylbenzo[<i>g</i>]quinoxaline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","HB4346","Crundwell, Guy; Leeds, Ashley","2,3-Diethylbenzo[<i>g</i>]quinoxaline","IUCrData","2020","5","4","x200454","","10.1107/S241431462000454X","","x-ray","0.71073","MoKα","","0.0627","0.0477","","","0.1256","0.136","","","","","","1.037","","","","has coordinates,has Fobs","251360","2020-10-21","18:00:00",""
"1557981","6.383","0.008","12.498","0.015","12.814","0.016","68.718","0.011","86.988","0.012","81.397","0.012","942","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H40 N2 -","- C52 H40 N2 -","- C52 H40 N2 -","1","0.5","","Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou","2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline","IUCrData","2020","5","4","x200531","","10.1107/S2414314620005313","","","0.71073","MoKα","","0.1092","0.0595","","","0.1303","0.1582","","","","","","1.021","","","","has coordinates","251361","2020-10-21","18:00:00",""
"1557983","8.5663","0.0003","11.0966","0.0004","24.1272","0.0009","90","","98.595","0.001","90","","2267.7","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br Ir N3 O -","- C23 H33 Br Ir N3 O -","- C92 H132 Br4 Ir4 N12 O4 -","4","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.0236","","","0.049","0.0514","","","","","","1.019","","","","has coordinates","257206","2020-10-21","18:00:00",""
"1557984","9.2294","0.0009","11.1211","0.0011","11.892","0.0019","99.157","0.001","110.946","0.002","114.394","0.001","968.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Br Ir N3 O3 -","- C17 H21 Br Ir N3 O3 -","- C34 H42 Br2 Ir2 N6 O6 -","2","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.029","","","0.0727","0.074","","","","","","1.061","","","","has coordinates,has disorder","257206","2020-10-21","18:00:00",""
"1557987","24.4749","0.0004","22.6183","0.0004","12.7406","0.0002","90","","90","","90","","7052.9","0.2","95","2","95","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H48 I N4 O P Pt -","- C33 H48 I N4 O P Pt -","- C264 H384 I8 N32 O8 P8 Pt8 -","8","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0533","0.037","","","0.077","0.0832","","","","","","1.09","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557988","12.7739","0.0002","8.98822","0.00013","27.115","0.0004","90","","100.703","0.0016","90","","3059.04","0.08","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C104 H156 Cl8 Cu8 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0336","0.0249","","","0.0535","0.0558","","","","","","1.042","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557989","20.4659","0.0002","20.4659","0.0002","27.7779","0.0004","90","","90","","90","","11634.9","0.2","94","2","94","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C50 H70 N8 O2 P2 Pt2 -","- C50 H70 N8 O2 P2 Pt2 -","- C400 H560 N64 O16 P16 Pt16 -","8","0.5","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0482","0.0347","","","0.0824","0.0891","","","","","","1.027","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557990","11.34455","0.00016","12.7555","0.0003","15.58801","0.00018","97.0654","0.0013","96.2303","0.001","94.2103","0.0015","2216.7","0.07","95","2","95","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H59 B Cu F4 N4 O4 P Pt -","- C42 H59 B Cu F4 N4 O4 P Pt -","- C84 H118 B2 Cu2 F8 N8 O8 P2 Pt2 -","2","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0573","0.0558","","","0.1416","0.1442","","","","","","1.044","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557991","9.1729","0.0004","30.0139","0.001","12.3335","0.0003","90","","90.445","0.003","90","","3395.5","0.2","96","2","96","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 B Cu F4 N4 O2 P Pt -","- C30 H47 B Cu F4 N4 O2 P Pt -","- C120 H188 B4 Cu4 F16 N16 O8 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0943","0.0832","","","0.2262","0.2402","","","","","","1.048","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557992","9.1454","0.00011","34.4731","0.0005","28.8368","0.0004","90","","90.3193","0.0011","90","","9091.2","0.2","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.33 H43.67 Cu N4 O1.33 P Pt -","- C28.3333 H43.6667 Cu N4 O1.33333 P Pt -","- C340 H524 Cu12 N48 O16 P12 Pt12 -","12","3","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0564","0.0449","","","0.0862","0.0892","","","","","","1.094","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557993","14.66021","0.00018","16.24537","0.00017","26.9484","0.0004","90","","103.68","0.0013","90","","6235.97","0.14","93","2","93","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H51 B Cu F24 N4 O P Pt -","- C58 H51 B Cu F24 N4 O P Pt -","- C232 H204 B4 Cu4 F96 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0418","0.0321","","","0.0819","0.0874","","","","","","1.029","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557994","20.7797","0.0002","19.37993","0.00018","17.2379","0.0002","90","","105.44","0.0013","90","","6691.33","0.13","90","2","90","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H51 B Cu F30 N4 O P Pt -","- C65 H51 B Cu F30 N4 O P Pt -","- C260 H204 B4 Cu4 F120 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.053","0.0379","","","0.0954","0.1074","","","","","","1.041","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557996","4.0767","0.0003","15.8073","0.001","10.3549","0.0007","90","","99.786","0.006","90","","657.58","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Van Den Broeck, Elias; Verbraeken, Bart; Dedecker, Karen; Cnudde, Pieter; Vanduyfhuys, Louis; Verstraelen, Toon; Van Hecke, Kristof; Jerca, Valentin Victor; Catak, Saron; Hoogenboom, Richard; Van Speybroeck, Veronique","Cation−π Interactions Accelerate the Living Cationic Ring-Opening Polymerization of Unsaturated 2-Alkyl-2-oxazolines","Macromolecules","2020","53","10","3832","3846","10.1021/acs.macromol.0c00865","","x-ray","1.54184","CuKα","","0.0559","0.0513","","","0.1387","0.1455","","","","","","1.084","","","","has coordinates","257163","2020-10-21","18:00:00",""
"1557997","7.2298","0.0002","10.3241","0.0003","19.9155","0.0005","90","","91.2503","0.0014","90","","1486.16","0.07","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.0776","0.0523","","","0.117","0.1328","","","","","","1.031","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557998","11.9769","0.0003","5.9444","0.0002","26.845","0.0008","90","","92.8945","0.0013","90","","1908.8","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.1447","0.0695","","","0.1231","0.155","","","","","","1.025","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557999","19.002","0.0001","8.3505","0.0001","18.6504","0.0001","90","","106.546","0.001","90","","2836.83","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Br N O2 Si -","- C31 H37 Br N O2 Si -","- C124 H148 Br4 N4 O8 Si4 -","4","1","","Eichenberger, Sarah; Hönig, Moritz; Richter, Matthieu J. R.; Gershoni-Poranne, Renana; Carreira, Erick M.","Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes","Chemical Science","2020","11","20","5294","5298","10.1039/D0SC02224A","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0922","0.0933","","","","","","1.044","","","","has coordinates","257341","2020-10-21","18:00:00",""
"1558000","23.232","0.005","7.4413","0.0014","15.361","0.004","90","","106.818","0.005","90","","2542","1","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 -","- C17 H11 N3 -","- C136 H88 N24 -","8","2","","AYARI, Sami; HIRABAYASHI, Kazunori; SHIMIZU, Toshio; JAMOUSSI, Bassem; SAGLAM, Mehmet F.; ATILLA, Devrim; SUGIURA, Ken-ichi","Crystal Structure of 3-(3-Methyl-1<i>H</i>-indole-1-yl)phthalonitrile","X-ray Structure Analysis Online","2020","36","0","11","13","10.2116/xraystruct.36.11","","","0.71075","MoKα","","0.137","0.0647","","","0.1276","0.1586","","","","","","0.999","","","","has coordinates","258167","2020-10-21","18:00:00",""
"1558001","16.144","0.016","19.437","0.019","22.33","0.02","110.119","0.015","104.06","0.02","90.752","0.015","6346","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C204 H288 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","1","0.5","","Coletta, Marco; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.","A Brucite-Like Mixed-Valent Cluster Capped by [MnIIIp-tBu-calix[4]arene]− Moieties","Chemistry","2020","2","2","253","261","10.3390/chemistry2020016","","","0.71073","MoKα","","0.0719","0.0564","","","0.1696","0.181","","","","","","1.092","","","","has coordinates,has disorder","258181","2020-10-21","18:00:00",""
"1558002","30.24","0.006","3.9413","0.0008","20.418","0.004","90","","107.77","0.03","90","","2317.4","0.9","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O3 S2 -","- C12 H10 O3 S2 -","- C96 H80 O24 S16 -","8","1","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.0944","0.0501","","","0.1103","0.1292","","","","","","0.94","","","","has coordinates","251746","2020-10-21","18:00:00",""
"1558003","13.588","0.003","19.062","0.004","16.764","0.003","90","","100.11","0.03","90","","4274.7","1.6","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 K2 N2 Ni4 O14 S12 -","- C72 H74 K2 N2 Ni4 O14 S12 -","- C144 H148 K4 N4 Ni8 O28 S24 -","2","0.5","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.1006","0.0568","","","0.1466","0.1668","","","","","","0.921","","","","has coordinates,has disorder","251747","2020-10-21","18:00:00",""
"1558004","19.2436","0.0006","5.9999","0.0002","8.8316","0.0003","90","","97.833","0.003","90","","1010.18","0.06","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","shuiskite-(Cr)","","","- Al0.6 Ca2 Cr1.92 H3.48 Mg0.48 O14 Si3 -","- Al0.6 Ca2 Cr1.916 Mg0.484 O14 Si3 -","- Al2.4 Ca8 Cr7.664 Mg1.936 O56 Si12 -","4","0.5","","Lykova, Inna; Varlamov, Dmitry; Chukanov, Nikita; Pekov, Igor; Belakovskiy, Dmitry; Ivanov, Oleg; Zubkova, Natalia; Britvin, Sergey","Chromium Members of the Pumpellyite Group: Shuiskite-(Cr), Ca2CrCr2[SiO4][Si2O6(OH)](OH)2O, a New Mineral, and Shuiskite-(Mg), a New Species Name for Shuiskite","Minerals","2020","10","5","390","","10.3390/min10050390","","","0.71073","MoKα","","0.0644","0.0469","","","0.1033","0.1088","","","","","","1.076","","","","has coordinates","251751","2020-10-21","18:00:00",""
"1558005","15.7937","0.0003","7.4944","0.0001","20.8812","0.0002","90","","97.436","0.0013","90","","2450.8","0.06","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","2","","Kanno, Yuichiro; Kusakabe, Taichi; Saito, Nao; Kikkawa, Shoko; Takahashi, Keisuke; Azumaya, Isao; Nemoto, Kiyomitsu; Kato, Keisuke","Improved Synthesis and Determination of the Biologically Active Diastereomer of YK11","Molbank","2020","2020","2","M1125","","10.3390/M1125","","","1.54187","CuKα","","0.041","0.0408","","","0.1132","0.1136","","","","","","1.056","","","","has coordinates","251752","2020-10-21","18:00:00",""
"1558006","4.7803","0.0002","25.1943","0.0014","11.434","0.0006","90","","92.369","0.005","90","","1375.89","0.12","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O3 S2 -","- C13 H17 N O3 S2 -","- C52 H68 N4 O12 S8 -","4","1","","Aitken, R. Alan; Fotherby, Fiona M.; Slawin, Alexandra M. Z.","2,6-exo-8,12-exo-10-Butyl-13-oxa-3,5-dithia-10-azatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione","Molbank","2020","2020","2","M1123","","10.3390/M1123","","","1.54184","CuKα","","0.0556","0.0463","","","0.1332","0.1406","","","","","","1.061","","","","has coordinates","251753","2020-10-21","18:00:00",""
"1558007","9.2448","0.0004","10.1376","0.0004","22.4575","0.0009","90","","90","","90","","2104.72","0.15","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0285","0.0283","","","0.0794","0.0796","","","","","","1.057","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558008","9.2746","0.0003","10.2656","0.0003","22.5834","0.0007","90","","90","","90","","2150.15","0.12","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0302","0.0301","","","0.0897","0.0898","","","","","","1.109","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558009","17.4894","0.0005","7.242","0.00017","20.4992","0.0005","90","","106.179","0.003","90","","2493.56","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N3 O2 -","- C12 H14 Br N3 O2 -","- C96 H112 Br8 N24 O16 -","8","2","","Bolotin, Dmitrii S.; Il’in, Mikhail V.; Suslonov, Vitalii V.; Novikov, Alexander S.","Symmetrical Noncovalent Interactions Br···Br Observed in Crystal Structure of Exotic Primary Peroxide","Symmetry","2020","12","4","637","","10.3390/sym12040637","","","0.71073","MoKα","","0.0502","0.0351","","","0.0731","0.0793","","","","","","1.03","","","","has coordinates","251784","2020-10-21","18:00:00",""
"1558010","13.3029","0.0016","9.8247","0.001","16.8935","0.0019","90","","110.005","0.004","90","","2074.7","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 -","- C31 H20 -","- C124 H80 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.0811","0.0479","","","0.1021","0.1149","","","","","","1.029","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558011","16.6398","0.0011","9.562","0.0006","16.8786","0.0011","90","","106.273","0.004","90","","2578","0.3","296","2","296","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.1906","0.0612","","","0.1113","0.1533","","","","","","0.967","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558012","11.2023","0.0016","18.671","0.002","14.855","0.002","90","","108.22","0.005","90","","2951.3","0.7","299","","299","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 -","- C43 H28 -","- C172 H112 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","","0.71073","MoKα","","0.0794","0.0504","","","0.1195","0.1352","","","","","","1.015","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558013","9.7756","0.0001","9.7756","0.0001","8.7186","0.0002","90","","90","","120","","721.55","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 H51 I2 N19 -","- Be4 H23.9997 I2 N19 -","- Be4 H23.9997 I2 N19 -","1","0.333333","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.045","0.0447","","","0.1274","0.1277","","","","","","1.164","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558014","13.4543","0.0003","10.5289","0.0003","16.9967","0.0004","90","","111.134","0.002","90","","2245.79","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 N22 -","- Be4 H42 N22 -","- Be16 H168 N88 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.048","0.0367","","","0.1005","0.1079","","","","","","1.047","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558015","14.2177","0.0013","14.2177","0.0013","8.56","0.0012","90","","90","","120","","1498.5","0.3","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Br2 H36 N14 -","- Be4 Br2 H23.9997 N14 -","- Be12 Br6 H71.9991 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0705","0.0697","","","0.1757","0.1768","","","","","","1.019","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558016","13.9342","0.0001","13.9342","0.0001","8.3727","0.0001","90","","90","","120","","1407.86","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Cl2 H36 N14 -","- Be4 Cl2 H36 N14 -","- Be12 Cl6 H108 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0189","0.0175","","","0.0392","0.0395","","","","","","1.028","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558017","14.0852","0.0002","10.1719","0.0001","18.4646","0.0002","90","","112.217","0.001","90","","2449.08","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 I2 N16 -","- Be4 H42 I2 N16 -","- Be16 H168 I8 N64 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0344","0.0343","","","0.0885","0.0886","","","","","","1.072","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558018","9.9563","0.0002","8.5843","0.0001","24.7099","0.0004","90","","97.454","0.001","90","","2094.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H33 Be4 N15 S2 -","- C2 H33 Be4 N15 S2 -","- C8 H132 Be16 N60 S8 -","4","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0355","0.0239","","","0.0567","0.0597","","","","","","0.905","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558019","9.9478","0.0003","9.9478","0.0003","5.4077","0.0003","90","","90","","90","","535.14","0.04","100","2","100","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C8 H16 Be N6 -","- C8 H16 Be N6 -","- C16 H32 Be2 N12 -","2","0.25","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0443","0.0369","","","0.0954","0.0996","","","","","","1.083","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558020","14.1334","0.0003","14.1334","0.0003","8.5563","0.0003","90","","90","","120","","1480.16","0.07","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- C2 H36 Be4 N16 -","- C2 H35.9997 Be4 N16 -","- C6 H107.999 Be12 N48 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0407","0.034","","","0.084","0.0862","","","","","","0.995","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558021","20.1994","0.0002","21.2118","0.0002","23.3361","0.0003","90","","90","","90","","9998.72","0.19","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H44 Be8 I2 N16 O -","- C20 H44 Be8 I2 N16 O -","- C160 H352 Be64 I16 N128 O8 -","8","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0305","0.027","","","0.071","0.0732","","","","","","1.036","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558022","13.3705","0.0002","7.2739","0.0001","31.8622","0.0005","90","","90","","90","","3098.78","0.08","170","2","170.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min","Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies","Catalysis Science & Technology","2020","10","12","3959","3964","10.1039/D0CY00092B","","","1.34139","GaKα","","0.0351","0.0331","","","0.0861","0.0877","","","","","","1.069","","","","has coordinates","257222","2020-10-21","18:00:00",""
"1558023","9.8512","0.0013","5.7699","0.0008","11.7734","0.0016","90","","102.85","0.003","90","","652.45","0.15","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 O5 -","- C5 H8 O5 -","- C20 H32 O20 -","4","1","","Vil', Vera A.; Barsegyan, Yana A.; Kuhn, Leah; Ekimova, Maria V.; Semenov, Egor A.; Korlyukov, Alexander A.; Terent'ev, Alexander O.; Alabugin, Igor V.","Synthesis of unstrained Criegee intermediates: inverse α-effect and other protective stereoelectronic forces can stop Baeyer‒Villiger rearrangement of γ-hydroperoxy-γ-peroxylactones","Chemical Science","2020","11","20","5313","5322","10.1039/D0SC01025A","","","0.71073","MoKα","","0.0478","0.0366","","","0.091","0.097","","","","","","1.044","","","","has coordinates","257343","2020-10-21","18:00:00",""
"1558024","17.7314","0.0002","17.0501","0.0002","26.7696","0.0004","90","","106.599","0.001","90","","7755.79","0.18","180","0.11","180","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 Dy2 N4 Ni S2 -","- C126 H53 Dy1.997 N4 Ni S2 -","- C504 H212 Dy7.988 N16 Ni4 S8 -","4","1","","Wang, Yuanyuan; Xiong, Jin; Su, Jie; Hu, Ziqi; Ma, Fang; Sun, Rong; Tan, Xueyou; Sun, Hao-Ling; Wang, Bing-Wu; Shi, Zujin; Gao, Song","Dy<sub>2</sub>@C<sub>79</sub>N: a new member of dimetalloazafullerenes with strong single molecular magnetism.","Nanoscale","2020","12","20","11130","11135","10.1039/d0nr02519d","","x-ray","0.71073","MoKα","","0.1147","0.1029","","","0.2171","0.2242","","","","","","1.061","","","","has coordinates","252848","2020-10-21","18:00:00",""
"1558025","38.5523","0.0009","38.5523","0.0009","29.1596","0.0008","90","","90","","90","","43339.3","1.9","150","2","150","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C32 H318 K8 N16 Na6 O402 Pr8 Te8 W88 -","- C16 H64 K4 N8 Na4 O368 Pr8 Te8 W88 -","- C64 H256 K16 N32 Na16 O1472 Pr32 Te32 W352 -","4","0.25","","Zhang, Yan; Jiang, Jun; Liu, Yifan; Li, Pan; Liu, Yong; Chen, Lijuan; Zhao, Junwei","Multi-praseodymium-and-tungsten bridging octameric tellurotungstate and its 2D honeycomb composite film for detecting estrogen.","Nanoscale","2020","12","19","10842","10853","10.1039/d0nr01901a","","","0.71073","MoKα","","0.0416","0.037","","","0.0928","0.0957","","","","","","1.069","","","","has coordinates","252847","2020-10-21","18:00:00",""
"1558026","26.6378","0.0006","9.0287","0.0002","27.648","0.0006","90","","110.854","0.001","90","","6213.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.75 H28 Ag F3 N2 O3.75 P S -","- C31.75 H28 Ag F3 N2 O3.75 P S -","- C254 H224 Ag8 F24 N16 O30 P8 S8 -","8","2","","Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J.","Rotation of a helical coordination polymer by mechanical grinding.","Chemical communications (Cambridge, England)","2020","56","46","6289","6292","10.1039/d0cc02158j","","","0.71073","MoKα","","0.0795","0.0532","","","0.0898","0.099","","","","","","1.032","","","","has coordinates,has disorder","253794","2020-10-21","18:00:00",""
"1558027","10.4634","0.0005","8.3919","0.0004","10.5935","0.0006","90","","98.999","0.002","90","","918.74","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.5","","Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J.","Rotation of a helical coordination polymer by mechanical grinding.","Chemical communications (Cambridge, England)","2020","56","46","6289","6292","10.1039/d0cc02158j","","","0.71073","MoKα","","0.056","0.0505","","","0.1336","0.1384","","","","","","1.051","","","","has coordinates","253794","2020-10-21","18:00:00",""
"1558028","38.649","0.004","38.649","0.004","38.649","0.004","90","","90","","90","","57732","10","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224'","[H2TCPP]3[Zr6O4(OH)4(CH3CO2)6]2","","- C168 H114 N12 O64 Zr12 -","- C168 H114 N12 O64 Zr12 -","- C672 H456 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.061","0.0563","","","0.1399","0.145","","","","","","1.132","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558029","38.4891","0.0009","38.4891","0.0009","38.4891","0.0009","90","","90","","90","","57018","2","100","2","100","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","PCN-224'FeCl","[FeCl(TCPP)]3[ZrO4(OH)4(CH3CO2)6]2","","- C168 H108 Cl3 Fe3 N12 O64 Zr12 -","- C168 H112.704 Cl3 Fe3 N12 O64 Zr12 -","- C672 H450.816 Cl12 Fe12 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.0844","0.0733","","","0.2249","0.2456","","","","","","1.191","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558030","38.8372","0.0012","38.8372","0.0012","38.8372","0.0012","90","","90","","90","","58579","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","[H2TCPP]3[Zr6O4(mu-OH)4(OH)6]2","","- C144 H90 N12 O52 Zr12 -","- C144 H90 N12 O52 Zr12 -","- C576 H360 N48 O208 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","0.71073","MoKα","","0.0845","0.0696","","","0.2005","0.2246","","","","","","1.038","","","","has coordinates","256051","2020-10-21","18:00:00",""
"1558031","7.749","0.0003","7.749","0.0003","22.032","0.0011","90","","90","","90","","1322.96","0.1","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","0.5","","Heywood, Victoria L.; Alford, Thomas P. J.; Roeleveld, Julius J.; Lekanne Deprez, Siebe J.; Verhoofstad, Abraham; van der Vlugt, Jarl Ivar; Domingos, Sérgio R.; Schnell, Melanie; Davis, Anthony P.; Mooibroek, Tiddo J.","Observations of tetrel bonding between sp3-carbon and THF","Chemical Science","2020","11","20","5289","5293","10.1039/D0SC01559H","","","0.71073","MoKα","","0.0468","0.0409","","","0.1126","0.1171","","","","","","0.975","","","","has coordinates","257344","2020-10-21","18:00:00",""
"1558032","15.7335","0.0016","15.6057","0.0016","26.314","0.003","90","","100.54","0.003","90","","6351.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iron Diesterporphyrin","FeDEsP","","- C152 H112 Fe4 N16 O18 -","- C152 H109 Fe4 N16 O18 -","- C304 H218 Fe8 N32 O36 -","2","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.2678","0.0836","","","0.1587","0.2346","","","","","","0.956","","","","has coordinates,has disorder","256048","2020-10-21","18:00:00",""
"1558033","11.301","0.003","13.669","0.003","14.795","0.004","92.292","0.008","90.441","0.009","109.916","0.007","2146.5","0.9","119","2","119","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","1","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.1016","0.0548","","","0.1238","0.1474","","","","","","1.029","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558034","13.344","0.003","21.257","0.005","14.059","0.003","90","","90","","90","","3987.9","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Zinc Diesterporphyrin","ZnDEsC","","- C45 H38 N5 O5 Zn -","- C45 H28 N5 O5 Zn -","- C180 H112 N20 O20 Zn4 -","4","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.0309","0.0281","","","0.0906","0.0922","","","","","","1.158","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558035","4.8774","0.0013","9.47","0.003","12.719","0.003","106.784","0.007","97.222","0.007","92.444","0.008","556.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","XU4040","Yu, MingChao; Wang, LinLin; Wang, LingYang; Wu, ZhiYong","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","IUCrData","2020","5","5","x200603","","10.1107/S2414314620006033","","","0.71073","MoKα","","0.0608","0.0487","","","0.1264","0.1375","","","","","","1.063","","","","has coordinates,has Fobs","251892","2020-10-21","18:00:00",""
"1558039","13.8753","0.0008","15.2122","0.0008","15.5548","0.0008","100.549","0.005","116.109","0.006","96.443","0.005","2828.4","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H38 F8 N2 O4 -","- C58 H38 F8 N2 O4 -","- C116 H76 F16 N4 O8 -","2","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.128","0.0901","","","0.1959","0.214","","","","","","1.043","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558040","13.843","0.0005","23.5705","0.0009","33.4177","0.0011","90","","90","","90","","10903.7","0.7","99.94","0.15","99.94","0.15","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H51 Cl3 F8 N2 O4 -","- C65 H51 Cl3 F8 N2 O4 -","- C520 H408 Cl24 F64 N16 O32 -","8","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.1166","0.0874","","","0.1948","0.2125","","","","","","1.051","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558041","20.1165","0.0002","14.3784","0.0002","22.1071","0.0003","90","","90.242","0.001","90","","6394.27","0.14","179.99","0.1","179.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H36 Cl2 F8 N2 O4 Ti -","- C58 H36 Cl2 F8 N2 O4 Ti -","- C232 H144 Cl8 F32 N8 O16 Ti4 -","4","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.0468","0.0363","","","0.0967","0.1014","","","","","","1.052","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558045","9.1084","0.0006","11.7267","0.0007","16.3308","0.0009","85.341","0.002","89.88","0.002","70.285","0.002","1636.05","0.17","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H22 F9 Fe N10 O9 S3 -","- C23 H22 F9 Fe N10 O9 S3 -","- C46 H44 F18 Fe2 N20 O18 S6 -","2","1","","Dyckhoff, Florian; Schlagintweit, Jonas F.; Reich, Robert M.; Kühn, Fritz E.","Pushing the limits of activity and stability: the effects of Lewis acids on non-heme iron‒NHC epoxidation catalysts","Catalysis Science & Technology","2020","10","11","3532","3536","10.1039/D0CY00631A","","x-ray","0.71073","MoKα","","0.065","0.0635","","","0.1688","0.17","","","","","","1.046","","","","has coordinates","257218","2020-10-21","18:00:00",""
"1558046","13.4808","0.0009","14.1304","0.001","20.7309","0.0015","81.16","0.002","85.017","0.002","77.197","0.002","3799.4","0.5","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H118 N4 Si10 -","- C66 H118 N4 Si10 -","- C132 H236 N8 Si20 -","2","1","","Keuter, Jan; Schwermann, Christian; Hepp, Alexander; Bergander, Klaus; Droste, Jörn; Hansen, Michael Ryan; Doltsinis, Nikos L.; Mück-Lichtenfeld, Christian; Lips, Felicitas","A highly unsaturated six-vertex amido-substituted silicon cluster.","Chemical science","2020","11","23","5895","5901","10.1039/d0sc01427c","","","0.71073","MoKα","","0.0476","0.0354","","","0.0881","0.0935","","","","","","1.02","","","","has coordinates,has disorder","256046","2020-10-21","18:00:00",""
"1558047","11.9911","0.0001","34.2594","0.0003","15.9758","0.0002","90","","107.614","0.001","90","","6255.29","0.11","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B F4 -","- C40 H35 B F4 -","- C320 H280 B8 F32 -","8","2","","Fu, Xiangyu; Han, Han; Zhang, Di; Yu, Han; He, Qilin; Zhao, Dahui","A polycyclic aromatic hydrocarbon diradical with pH-responsive magnetic properties.","Chemical science","2020","11","21","5565","5571","10.1039/d0sc00770f","","x-ray","1.54184","CuKα","","0.1045","0.0892","","","0.2649","0.2848","","","","","","1.066","","","","has coordinates","256050","2020-10-21","18:00:00",""
"1558048","16.7567","0.0005","16.7567","0.0005","25.0576","0.0008","90","","90","","120","","6093.2","0.3","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H121 Er3 N12 O43 Yb3 -","- C42.9962 H120.983 Er3 N12 O42.996 Yb3 -","- C128.989 H362.95 Er9 N36 O128.988 Yb9 -","3","0.166667","","Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee","NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.","Nanoscale","2020","12","21","11435","11439","10.1039/d0nr02236e","","","0.71073","MoKα","","0.0275","0.0242","","","0.0626","0.0643","","","","","","1.065","","","","has coordinates,has disorder","252856","2020-10-21","18:00:00",""
"1558049","12.1098","0.0003","12.8247","0.0003","24.7696","0.0006","97.196","0.002","102.549","0.001","98.363","0.002","3665.67","0.16","201","2","201","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H86 Cl4 N12 O39 Yb6 -","- C40 H86 Cl4 N12 O39 Yb6 -","- C80 H172 Cl8 N24 O78 Yb12 -","2","1","","Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee","NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.","Nanoscale","2020","12","21","11435","11439","10.1039/d0nr02236e","","","0.71073","MoKα","","0.0464","0.0363","","","0.0714","0.0749","","","","","","1.085","","","","has coordinates,has disorder","252856","2020-10-21","18:00:00",""
"1558050","18.3346","0.0007","15.7546","0.0003","18.3241","0.0003","90","","90.531","0.001","90","","5292.8","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.0797","0.04","","","0.1173","0.1324","","","","","","0.909","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558051","18.3126","0.0004","18.3126","0.0004","15.7252","0.0005","90","","90","","90","","5273.5","0.2","296","","296","","","","","","","","","3","P 43","P 4cw","78","","N-deuterated bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71073","MoKα","","0.0824","0.0465","","","0.1319","0.1527","","","","","","1.014","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558052","18.2293","0.0003","18.2293","0.0003","15.6088","0.0007","90","","90","","90","","5186.9","0.3","160","","160","","","","","","","","","3","P 41","P 4w","76","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.1195","0.0571","","","0.1749","0.2036","","","","","","1.067","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558053","22.088","0.003","5.586","0.0007","24.017","0.003","90","","115.257","0.003","90","","2680","0.6","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis-(1H-benzimidazol-2-yl)-methane methanol solvate","","- C31 H28 N8 O -","- C31 H28 N8 O -","- C124 H112 N32 O4 -","4","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.0562","0.041","","","0.0923","0.1018","","","","","","1.025","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558054","18.3296","0.0017","15.7595","0.0015","18.3254","0.0016","90","","90.612","0.003","90","","5293.3","0.8","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.1199","0.0689","","","0.1621","0.1955","","","","","","1.061","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558055","7.963","0.002","8.349","0.002","9.742","0.002","90","","111.776","0.004","90","","601.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C32 H24 N8 -","2","0.5","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.56086","AgKα","","0.0696","0.0527","","","0.1208","0.1294","","","","","","1.106","","","","has coordinates","252855","2020-10-21","18:00:00",""
"1558056","15.6211","0.0008","21.1135","0.0012","32.721","0.003","90","","93.605","0.005","90","","10770.6","1.3","100","0.16","100","0.16","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C82 H65 Co4 N16 O12 -","- C82 H65 Co4 N16 O12 -","- C328 H260 Co16 N64 O48 -","4","1","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.71073","MoKα","","0.1772","0.1143","","","0.2778","0.3252","","","","","","0.978","","","","has coordinates","252855","2020-10-21","18:00:00",""
"1558057","19.5696","0.0002","19.5696","0.0002","26.6481","0.0004","90","","90","","90","","10205.4","0.2","100.01","0.11","100.01","0.11","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H64 Co4 N16 O14 -","- C80 H64 Co4 N16 O14 -","- C320 H256 Co16 N64 O56 -","4","0.5","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.71073","MoKα","","0.0503","0.0447","","","0.1135","0.1165","","","","","","1.03","","","","has coordinates,has disorder","252855","2020-10-21","18:00:00",""
"1558058","10.236","0.0015","32.92","0.005","10.7797","0.0014","90","","105.178","0.005","90","","3505.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","MesN3","","- C38 H60 Al N3 -","- C38 H60 Al N3 -","- C152 H240 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0465","0.0405","","","0.1037","0.1083","","","","","","1.031","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558059","8.755","0.004","15.965","0.005","11.067","0.005","90","","96.64","0.02","90","","1536.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tertbutylaluminol","","- C32 H58 Al2 -","- C32 H58 Al2 -","- C64 H116 Al4 -","2","0.5","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0612","0.0462","","","0.1167","0.1288","","","","","","1.052","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558060","12.957","0.006","16.692","0.007","15.618","0.006","90","","96.13","0.02","90","","3359","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAP_koordiniert","","- C36 H59 Al N2 -","- C36 H59 Al N2 -","- C144 H236 Al4 N8 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0505","0.0364","","","0.087","0.0956","","","","","","1.012","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558061","9.335","0.004","16.672","0.009","17.185","0.007","90","","93.88","0.03","90","","2668","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp3taluminol","","- C29 H49 Al -","- C29 H49 Al -","- C116 H196 Al4 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.104","0.0636","","","0.1535","0.1767","","","","","","1.015","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558062","9.601","0.002","12.75","0.003","13.314","0.002","97.397","0.006","93.793","0.015","94.404","0.007","1606.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","TMSN3","","- C32 H58 Al N Si -","- C32 H58 Al N Si -","- C64 H116 Al2 N2 Si2 -","2","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.036","0.0337","","","0.0871","0.0889","","","","","","1.033","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558063","19.5714","0.0005","14.2192","0.0003","14.836","0.0004","90","","96.397","0.001","90","","4103","0.18","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Terhphenylazid","","- C47 H62 Al N3 -","- C47 H62 Al N3 -","- C188 H248 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.1059","0.1029","","","0.2254","0.2266","","","","","","1.281","","","","has coordinates,has disorder","256049","2020-10-21","18:00:00",""
"1558064","9.29339","0.00012","13.27724","0.00015","20.1881","0.0003","90","","91.3644","0.0012","90","","2490.31","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 I2 Ir N3 O2 -","- C22 H28 I2 Ir N3 O2 -","- C88 H112 I8 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0273","0.0208","","","0.0381","0.0398","","","","","","1.093","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558065","23.165","0.0004","7.44609","0.00009","15.706","0.0002","90","","107.268","0.0016","90","","2587.01","0.07","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C104 H102 F12 I4 Ir4 N12 O4 P2 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0314","0.0231","","","0.0416","0.0439","","","","","","1.05","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558066","9.61097","0.00008","20.10144","0.00016","14.45419","0.00015","90","","103.426","0.001","90","","2716.15","0.04","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Br F6 I Ir N3 O2 P -","- C22 H27 Br F6 I Ir N3 O2 P -","- C88 H108 Br4 F24 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0295","0.0293","","","0.077","0.0772","","","","","","1.121","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558067","9.8587","0.0001","20.2807","0.0002","15.0835","0.0002","90","","105.245","0.001","90","","2909.69","0.06","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 F9 I Ir N3 O2 P -","- C23 H27 F9 I Ir N3 O2 P -","- C92 H108 F36 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0526","0.0507","","","0.1375","0.1404","","","","","","1.052","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558068","9.1942","0.0001","8.2158","0.0001","33.7933","0.0003","90","","95.783","0.001","90","","2539.68","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 I2 Ir N3 -","- C26 H26 I2 Ir N3 -","- C104 H104 I8 Ir4 N12 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0262","0.0255","","","0.061","0.0613","","","","","","1.149","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558069","31.7681","0.0004","8.7023","0.0001","16.6407","0.0002","90","","94.935","0.001","90","","4583.36","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 I2 Ir N3 -","- C21 H24 I2 Ir N3 -","- C168 H192 I16 Ir8 N24 -","8","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0257","0.0199","","","0.0401","0.042","","","","","","1.057","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558070","8.93939","0.00015","18.6768","0.0003","13.452","0.0002","90","","94.066","0.0014","90","","2240.28","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C88 H110 Cl6 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.035","0.0245","","","0.0684","0.0991","","","","","","1.297","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558071","8.71914","0.00018","9.9018","0.0002","15.7288","0.0003","89.3248","0.0016","78.0376","0.0016","88.7062","0.0017","1328.09","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl F6 Ir N3 O P -","- C26 H26 Cl F6 Ir N3 O P -","- C52 H52 Cl2 F12 Ir2 N6 O2 P2 -","2","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.034","0.0277","","","0.0595","0.0618","","","","","","1.059","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558072","14.6069","0.0006","8.871","0.0004","12.0927","0.0008","90","","90.801","0.003","90","","1566.79","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N2 O4 Re -","- C15 H19 N2 O4 Re -","- C60 H76 N8 O16 Re4 -","4","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0406","0.0354","","","0.0886","0.0913","","","","","","1.054","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558073","23.927","0.0007","9.4928","0.0003","22.1646","0.0007","90","","106.575","0.002","90","","4825.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 N2 O4 Re -","- C23 H35 N2 O4 Re -","- C184 H280 N16 O32 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0503","0.0296","","","0.0562","0.0611","","","","","","1.012","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558074","8.90063","0.00016","11.9803","0.0003","31.8099","0.0007","90","","90","","90","","3391.96","0.13","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N3 O6 Re -","- C15 H18 N3 O6 Re -","- C120 H144 N24 O48 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0402","0.0229","","","0.0403","0.0443","","","","","","1.028","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558075","7.9439","0.0004","8.6162","0.0004","25.8718","0.0012","90","","90","","90","","1770.83","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Fe N O3 -","- C21 H21 Fe N O3 -","- C84 H84 Fe4 N4 O12 -","4","1","","Larin, Egor M.; Loup, Joachim; Polishchuk, Iuliia; Ross, Rachel J.; Whyte, Andrew; Lautens, Mark","Enantio- and diastereoselective conjugate borylation/Mannich cyclization","Chemical Science","2020","11","22","5716","5723","10.1039/D0SC02421J","","","0.71073","MoKα","","0.0249","0.0213","","","0.0519","0.0536","","","","","","1.052","","","","has coordinates","257296","2020-10-21","18:00:00",""
"1558076","10.0067","0.0005","14.2962","0.0007","16.3689","0.0008","99.987","0.004","105.704","0.004","107.788","0.004","2061","0.2","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 B4 Dy2 O2 -","- C34 H72 B4 Dy2 O2 -","- C68 H144 B8 Dy4 O4 -","2","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0444","0.0346","","","0.0806","0.0865","","","","","","1.038","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558077","13.3199","0.0001","18.1439","0.0001","19.6411","0.0002","90","","107.366","0.001","90","","4530.39","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 B2 Dy2 -","- C46 H78 B2 Dy2 -","- C184 H312 B8 Dy8 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0306","0.0266","","","0.0635","0.0655","","","","","","1.024","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558078","18.1029","0.0005","20.9327","0.0004","19.4229","0.0005","90","","111.812","0.003","90","","6833.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H74 B2 Dy2 F20 -","- C70 H74 B2 Dy2 F20 -","- C280 H296 B8 Dy8 F80 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0759","0.0692","","","0.1706","0.1762","","","","","","1.055","","","","has coordinates,has disorder","256040","2020-10-21","18:00:00",""
"1558079","13.16","0.002","13.956","0.003","23.75","0.005","74.835","0.008","81.559","0.008","65.275","0.007","3820.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H128 Ce K N16 P4 -","- C56 H128 Ce K N16 P4 -","- C112 H256 Ce2 K2 N32 P8 -","2","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0534","0.0465","","","0.1145","0.1195","","","","","","1.046","","","","has coordinates,has disorder","256038","2020-10-21","18:00:00",""
"1558080","13.3726","0.001","13.3726","0.001","21.0511","0.0017","90","","90","","90","","3764.5","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C56 H128 Ce N16 P4 -","- C56 H128 Ce N16 P4 -","- C112 H256 Ce2 N32 P8 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0266","0.0263","","","0.0689","0.0692","","","","","","1.048","","","","has coordinates","256038","2020-10-21","18:00:00",""
"1558081","11.76962","0.00015","15.5527","0.0002","14.3675","0.0002","90","","100.026","0.0013","90","","2589.8","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Ag2 B2 F8 N10 O4 -","- C50 H46 Ag2 B2 F8 N10 O4 -","- C100 H92 Ag4 B4 F16 N20 O8 -","2","0.5","","Wang, Shi; Bai, Dongya; Wang, Yanbo; Fu, Jiya; Zhu, Junyan; Fang, Xiaomin","Hierarchical self-assembly of helical coordination polymers and formation of a lamellar structure via the cooperativity of two-step Ag(i) coordination and π-π interactions.","Nanoscale","2020","12","20","10972","10976","10.1039/d0nr00299b","","x-ray","1.54184","CuKα","","0.0502","0.0426","","","0.109","0.1169","","","","","","1.069","","","","has coordinates,has disorder","252850","2020-10-21","18:00:00",""
"1558082","14.5788","0.0007","14.6329","0.0007","16.7346","0.0008","90","","96.683","0.003","90","","3545.7","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Co N P2 S -","- C38 H50 Co N P2 S -","- C152 H200 Co4 N4 P8 S4 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0673","0.0408","","","0.086","0.0968","","","","","","1.03","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558083","15.273","0.002","10.83","0.0014","18.993","0.003","90","","98.062","0.004","90","","3110.5","0.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Co N P2 -","- C33 H47 Co N P2 -","- C132 H188 Co4 N4 P8 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0678","0.0411","","","0.0834","0.0955","","","","","","1.05","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558084","33.34","0.006","13.858","0.003","14.143","0.003","90","","99.023","0.002","90","","6454","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(PNP)Co(Ph)(OAc)","","","- C34 H48 Co N O2 P2 -","- C34 H48 Co N O2 P2 -","- C272 H384 Co8 N8 O16 P16 -","8","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0377","0.0299","","","0.076","0.0805","","","","","","1.038","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558085","18.88","0.014","7.915","0.008","30.41","0.06","90","","98.22","0.04","90","","4498","11","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cl2 Co2 N4 O12 -","- C45 H48 Cl2 Co2 N4 O12 -","- C180 H192 Cl8 Co8 N16 O48 -","4","0.5","","Chen, Xin-Ran; Zhang, Shuo-Qing; Meyer, Tjark H.; Yang, Chun-Hui; Zhang, Qin-Hao; Liu, Ji-Ren; Xu, Hua-Jian; Cao, Fa-He; Ackermann, Lutz; Hong, Xin","Carboxylate breaks the arene C‒H bond via a hydrogen-atom-transfer mechanism in electrochemical cobalt catalysis","Chemical Science","2020","11","22","5790","5796","10.1039/D0SC01898H","","","0.71073","MoKα","","0.1265","0.1113","","","0.2499","0.2562","","","","","","1.279","","","","has coordinates","257294","2020-10-21","18:00:00",""
"1558086","17.1801","0.0005","17.7175","0.0005","22.9577","0.0007","95.508","0.002","90.634","0.002","106.355","0.002","6669","0.3","173.01","","173.01","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H150 Au13 P3 Pd S7 -","- C124 H150 Au13 P3 Pd S7 -","- C248 H300 Au26 P6 Pd2 S14 -","2","1","","Fu, Xuemei; Lin, Xinzhang; Ren, Xiuqing; Wu, Ren'an; Liu, Chao; Huang, Jiahui","The synthesis and structure of the [PdAu<sub>13</sub>(PPh<sub>3</sub>)<sub>3</sub>(SR)<sub>7</sub>]<sup>+</sup> nanocluster.","Nanoscale","2020","12","22","11825","11829","10.1039/d0nr01356k","","","1.54178","CuKα","","0.1111","0.0818","","","0.2063","0.2372","","","","","","0.992","","","","has coordinates,has disorder","253932","2020-10-21","18:00:00",""
"1558087","7.1989","0.0006","7.2267","0.0007","13.0042","0.0013","90","","90","","90","","676.53","0.11","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0386","0.0383","","","0.1041","0.1046","","","","","","1.119","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558088","9.3446","0.0015","12.244","0.002","7.3458","0.0013","90","","105.194","0.007","90","","811.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N2 O2 -","- C3 H4 N2 O2 -","- C24 H32 N16 O16 -","8","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0561","0.0546","","","0.1652","0.1665","","","","","","1.088","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558089","5.8982","0.0005","12.4995","0.0011","14.3372","0.001","90","","114.292","0.003","90","","963.42","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N4 O4 -","- C8 H10 N4 O4 -","- C32 H40 N16 O16 -","4","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.102","0.0811","","","0.2448","0.2781","","","","","","2.107","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558090","9.597","0.003","17.769","0.005","11.34","0.004","90","","114.24","0.04","90","","1763.3","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 O4 -","- C7 H8 N4 O4 -","- C56 H64 N32 O32 -","8","2","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0959","0.0922","","","0.3125","0.3149","","","","","","1.051","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558091","6.3076","0.0004","9.549","0.0006","11.3951","0.0008","90","","90","","90","","686.34","0.08","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","","- C5 H9 Cl N2 -","- C5 H9 Cl N2 -","- C20 H36 Cl4 N8 -","4","1","BV4030","Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C.","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","IUCrData","2020","5","5","x200660","","10.1107/S2414314620006604","","","0.71073","MoKα","","0.0213","0.0194","","","0.0489","0.0499","","","","","","1.107","","","","has coordinates,has Fobs","252209","2020-10-21","18:00:00",""
"1558092","10.6734","0.0007","13.492","0.0009","10.8926","0.0008","90","","106.158","0.002","90","","1506.63","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 F6 N2 S2 -","- C33 H28 F6 N2 S2 -","- C66 H56 F12 N4 S4 -","2","1","","Yu, Zhang-Long; Cheng, Yong-Feng; Jiang, Na-Chuan; Wang, Jian; Fan, Li-Wen; Yuan, Yue; Li, Zhong-Liang; Gu, Qiang-Shuai; Liu, Xin-Yuan","Desymmetrization of unactivated bis-alkenes via chiral Brønsted acid-catalysed hydroamination","Chemical Science","2020","11","23","5987","5993","10.1039/D0SC00001A","","x-ray","0.71073","MoKα","","0.0307","0.0276","","","0.0664","0.0679","","","","","","1.06","","","","has coordinates","257396","2020-10-21","18:00:00",""
"1558093","27.3782","0.0016","16.4038","0.0006","8.0743","0.0004","90","","96.106","0.005","90","","3605.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N2 O4 -","- C45 H44 N2 O4 -","- C180 H176 N8 O16 -","4","1","","Samanta, Samaresh; Ray, Subir Kumar; Deolka, Shubham; Saha, Sudipta; K R, Pradeep; Bhowal, Rohit; Ghosh, Nirmalya; Chaudhuri, Debangshu","Safeguarding long-lived excitons from excimer traps in H-aggregated dye-assemblies.","Chemical science","2020","11","22","5710","5715","10.1039/d0sc01784a","","x-ray","1.54184","CuKα","","0.1536","0.0831","","","0.2492","0.3254","","","","","","1.01","","","","has coordinates","256039","2020-10-21","18:00:00",""
"1558094","11.2545","0.001","18.0672","0.0018","20.425","0.002","114.844","0.003","101.984","0.003","90.435","0.003","3665.6","0.6","200","2","200","","","","","","","","","4","P -1","-P 1","2","","Spiro-CN-OMeTAD","","- C92 H76 N6 O8 -","- C92 H76 N6 O8 -","- C184 H152 N12 O16 -","2","1","","Xu, Jianbin; Liang, Lusheng; Mai, Chi-Lun; Zhang, Zilong; Zhou, Qin; Xiong, Qiu; Zhang, Zhuangzhuang; Deng, Longhui; Gao, Peng","Lewis-base containing spiro type hole transporting materials for high-performance perovskite solar cells with efficiency approaching 20.","Nanoscale","2020","12","24","13157","13164","10.1039/d0nr01961e","","","0.71073","MoKα","","0.2339","0.0982","","","0.248","0.3236","","","","","","1.031","","","","has coordinates","253929","2020-10-21","18:00:00",""
"1558095","27.1669","0.0007","18.3273","0.0004","13.8912","0.0002","90","","90","","90","","6916.4","0.3","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","","- C24 H54 Ag6 O46 S6 Si W12 -","- C24 H54 Ag6 O46 S6 Si W12 -","- C96 H216 Ag24 O184 S24 Si4 W48 -","4","1","","Hu, Ting; Hu, Chunli; Li, Yuhang; Meng, Lingyi; Xie, Yiming; Liao, Mingyue; Zhong, Guiming; Lu, Can-Zhong","Synthesis and characterization of a nanocluster-based silver(i) tert-butylethynide compound with a large second-harmonic generation response.","Nanoscale","2020","12","22","11847","11857","10.1039/d0nr03364b","","","0.71073","MoKα","","0.0452","0.0359","","","0.0716","0.0761","","","","","","1.048","","","","has coordinates","253931","2020-10-21","18:00:00",""
"1558097","7.8139","0.0002","9.9797","0.0002","21.6351","0.0007","87.227","0.002","84.36","0.002","86.871","0.002","1674.87","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 N5 S -","- C45 H31 N5 S -","- C90 H62 N10 S2 -","2","1","","Luo, Qing; Li, Lin; Ma, Huili; Lv, Chunyan; Jiang, Xueyan; Gu, Xinggui; An, Zhongfu; Zou, Bo; Zhang, Cheng; Zhang, Yujian","Deep-red fluorescence from isolated dimers: a highly bright excimer and imaging in vivo","Chemical Science","2020","11","23","6020","6025","10.1039/D0SC01873B","","x-ray","1.54184","CuKα","","0.0764","0.0713","","","0.1857","0.1886","","","","","","1.125","","","","has coordinates","257397","2020-10-21","18:00:00",""
"1558098","13.7131","0.0002","15.2042","0.0002","25.3794","0.0003","74.859","0.001","78.818","0.001","65.926","0.001","4640.57","0.11","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H144 Co2 K2 N4 O15 P8 -","- C76 H145 Co2 K2 N4 O15 P8 -","- C152 H290 Co4 K4 N8 O30 P16 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0344","0.0311","","","0.0773","0.0794","","","","","","1.022","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558099","17.8715","0.0003","22.5218","0.0004","24.946","0.0005","90","","90","","90","","10040.7","0.3","123","1","123","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H82 Co Li N2 O7 P4 -","- C43 H82 Co Li N2 O7 P4 -","- C344 H656 Co8 Li8 N16 O56 P32 -","8","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0503","0.0459","","","0.1223","0.1273","","","","","","1.066","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558100","31.947","0.003","15.571","0.0012","12.6636","0.001","90","","91.67","0.008","90","","6296.8","0.9","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H99 Co2 Li O3.25 P8 -","- C53.5 H99 Co2 Li O3.25 P8 -","- C214 H396 Co8 Li4 O13 P32 -","4","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.1377","0.0745","","","0.1727","0.1886","","","","","","0.876","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558101","8.8103","0.0003","10.6602","0.0003","17.7138","0.0005","78.926","0.002","89.741","0.002","85.158","0.002","1626.75","0.09","123","0.2","123","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H50 Co Na O5 P4 -","- C25 H50 Co Na O5 P4 -","- C50 H100 Co2 Na2 O10 P8 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0441","0.0432","","","0.1169","0.1183","","","","","","1.037","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558102","14.474","0.0007","18.2968","0.0004","19.7326","0.0006","87.037","0.002","77.66","0.004","86.306","0.003","5090.5","0.3","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C160 H312 Co4 Li4 O35 P16 Si4 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.0967","0.0526","","","0.1051","0.1123","","","","","","0.908","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558103","14.2675","0.0003","15.0423","0.0004","18.2337","0.0005","102.047","0.002","94.044","0.002","114.602","0.002","3424.69","0.17","123.01","0.1","123.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H106 Co2 Li O6 P8 Si -","- C53 H106 Co2 Li O6 P8 Si -","- C106 H212 Co4 Li2 O12 P16 Si2 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0608","0.0494","","","0.1219","0.1321","","","","","","1.018","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558104","10.047","0.0009","11.0487","0.0007","24.242","0.0014","90","","90","","90","","2691","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O5 -","- C29 H38 O5 -","- C116 H152 O20 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1185","0.0652","","","0.1506","0.1814","","","","","","1.027","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558105","10.4833","0.0019","14.435","0.002","21.245","0.004","90","","90","","90","","3214.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","","0.71073","MoKα","","0.2473","0.0864","","","0.1593","0.2271","","","","","","1.032","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558106","23.808","0.004","10.36","0.003","11.8065","0.0017","90","","95.046","0.015","90","","2900.8","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H39 O4 S -","- C31 H35 O4 S -","- C124 H140 O16 S4 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1964","0.1019","","","0.2143","0.267","","","","","","0.992","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558113","9.756","0.0017","10.186","0.002","12.84","0.003","98.371","0.007","106.552","0.006","90.234","0.006","1208.7","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H20.8 Gd2 N2 O19.4 P6 -","- C6 H18 Gd2 N2 O19.4 P6 -","- C12 H36 Gd4 N4 O38.8 P12 -","2","1","","Mendes, Ricardo F.; Barbosa, Paula; Domingues, Eddy M.; Silva, Patrícia; Figueiredo, Filipe; Almeida Paz, Filipe A.","Enhanced proton conductivity in a layered coordination polymer.","Chemical science","2020","11","24","6305","6311","10.1039/d0sc01762k","","","0.71073","MoKα","","0.1526","0.1075","","","0.2641","0.2833","","","","","","1.154","","","","has coordinates","256036","2020-10-21","18:00:00",""
"1558114","20.0922","0.0013","11.4805","0.0006","18.359","0.0011","90","","120.155","0.003","90","","3661.7","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H59 N2 P Si2 U -","- C35 H59 N2 P Si2 U -","- C140 H236 N8 P4 Si8 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0275","0.0224","","","0.0392","0.0404","","","","","","0.996","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558115","9.8231","0.0011","11.2078","0.0013","19.039","0.003","82.061","0.004","76.9","0.006","65.055","0.004","1849","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(pentamethylcyclopentadienyl)-P-trimethylsilyl-P-methylphosphimido-trimethylsilylimidouranium(VI)","","- C35 H58 N2 P Si2 U -","- C35 H58 N2 P Si2 U -","- C70 H116 N4 P2 Si4 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0769","0.0715","","","0.2212","0.2235","","","","","","1.238","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558116","10.6409","0.0006","16.5027","0.0009","20.4856","0.0011","85.363","0.002","89.696","0.002","85.317","0.002","3573.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56 N P Si2 U -","- C33 H56 N P Si2 U -","- C132 H224 N4 P4 Si8 U4 -","4","2","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0671","0.0391","","","0.0667","0.0736","","","","","","1","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558117","11.3618","0.0009","12.1577","0.001","18.2103","0.0014","98.637","0.003","99.864","0.003","113.651","0.003","2202.3","0.3","123","2","123.01","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","1","0.5","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","1.34139","GaKα","","0.1106","0.0654","","","0.169","0.1932","","","","","","1.043","","","","has coordinates,has disorder","257285","2020-10-21","18:00:00",""
"1558118","11.36","0.011","12.085","0.01","16.842","0.014","91.22","0.02","109.72","0.02","111.47","0.02","1998","3","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Fe N4 O6 S6 -","- C36 H34 Fe N4 O6 S6 -","- C72 H68 Fe2 N8 O12 S12 -","2","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.2822","0.129","","","0.2426","0.3013","","","","","","1.092","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558119","4.795","0.0015","25.807","0.008","26.902","0.008","90","","91.827","0.006","90","","3327.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N3 O6 S6 -","- C28 H31 N3 O6 S6 -","- C112 H124 N12 O24 S24 -","4","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.1152","0.0621","","","0.1391","0.1608","","","","","","1.029","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558120","7.9871","0.0004","15.6608","0.0008","19.341","0.0011","74.494","0.005","87.66","0.004","76.49","0.004","2266.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 B F2 N2 O -","- C25 H31 B F2 N2 O -","- C100 H124 B4 F8 N8 O4 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","","1.54184","CuKα","","0.071","0.0477","","","0.123","0.1369","","","","","","1.032","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558121","13.7964","0.0007","14.4462","0.0006","14.8908","0.0007","103.965","0.004","99.568","0.004","104.025","0.004","2713.5","0.2","172","4","172","4","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F6 N2 O4 S4 -","- C24 H22 F6 N2 O4 S4 -","- C96 H88 F24 N8 O16 S16 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0673","0.0493","","","0.1364","0.1511","","","","","","1.04","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558122","7.9187","0.0004","12.1261","0.0007","13.0689","0.0006","82.67","0.004","78.619","0.004","79.315","0.005","1203.5","0.11","173.05","0.1","173.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl2 I N2 S2 -","- C22 H23 Cl2 I N2 S2 -","- C44 H46 Cl4 I2 N4 S4 -","2","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0399","0.0329","","","0.0738","0.0785","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558123","17.7575","0.0009","19.0198","0.0008","15.2682","0.0007","90","","114.649","0.006","90","","4686.9","0.4","173","0.14","173","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 B0.43 F1.72 I0.57 N2 S2 -","- C21 H21 B0.4296 F1.7184 I0.5704 N2 S2 -","- C168 H168 B3.4368 F13.7472 I4.5632 N16 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.061","0.0369","","","0.0743","0.0832","","","","","","1.008","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558124","13.3057","0.0004","12.066","0.0004","14.7108","0.0005","90","","108.185","0.004","90","","2243.81","0.14","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F3 N2 O3 S3 -","- C22 H21 F3 N2 O3 S3 -","- C88 H84 F12 N8 O12 S12 -","4","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0526","0.0369","","","0.0772","0.0845","","","","","","1.028","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558125","14.7979","0.0002","21.9313","0.0003","18.008","0.0003","90","","112.854","0.002","90","","5385.48","0.16","173","0.14","173","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 F6 N3 O4 S4 -","- C23 H21 F6 N3 O4 S4 -","- C184 H168 F48 N24 O32 S32 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0807","0.0686","","","0.1802","0.1933","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558126","17.6864","0.0008","18.688","0.0008","15.795","0.0008","90","","114.792","0.006","90","","4739.5","0.4","172.95","0.1","172.95","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 F6 N2 P S2 -","- C21 H21 F6 N2 P S2 -","- C168 H168 F48 N16 P8 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0782","0.066","","","0.1906","0.2032","","","","","","1.042","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558127","10.7051","0.0008","10.9218","0.0009","12.9779","0.0004","81.166","0.006","67.584","0.006","72.381","0.007","1335.66","0.17","197","130","197","130","","","","","","","","4","P -1","-P 1","2","","","","- C33 H37 N O -","- C33 H37 N O -","- C66 H74 N2 O2 -","2","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.1239","0.0841","","","0.2515","0.2861","","","","","","1.128","","","","has coordinates","258780","2020-11-06","11:31:00",""
"1558128","14.5781","0.0004","9.3138","0.0003","18.8307","0.0006","90","","94.961","0.003","90","","2547.21","0.14","295.5","0.4","295.5","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.48 H23 Cl N O2 -","- C28 H23 Cl N O2 -","- C112 H92 Cl4 N4 O8 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.13","0.0863","","","0.2665","0.3098","","","","","","1.112","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558129","15.001","0.003","10.5247","0.0015","22.239","0.004","90","","94.419","0.008","90","","3500.7","1.1","223","2","223.12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 N O -","- C41 H45 N O -","- C164 H180 N4 O4 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","","0.71073","MoKα","","0.169","0.0893","","","0.217","0.2635","","","","","","1.027","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558130","17.7447","0.0017","12.5982","0.0012","9.2934","0.0008","90","","114.702","0.004","90","","1887.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catnea-[bis(?-terephthalato)uranium tetrahydrate]","","- C16 H8 O12 U -","- C16 H8 O12 U -","- C64 H32 O48 U4 -","4","0.5","","Halter, Dominik P.; Klein, Ryan A.; Boreen, Michael; Trump, Benjamin A.; Brown, Craig M.; Long, Jeffrey R.","Self-Adjusting Binding Pockets Enhance H2 and CH4 Adsorption in a Uranium-Based Metal‒Organic Framework","Chemical Science","2020","","","","","10.1039/D0SC02394A","","","0.7288","synchrotron","","0.0667","0.0531","","","0.1493","0.1605","","","","","","1.087","","","","has coordinates,has disorder","252418","2020-10-21","18:00:00",""
"1558131","26.429","0.002","26.429","0.002","7.867","0.0007","90","","90","","90","","5495","0.8","110","","110","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H24 Cl N2 O5 -","- C28 H24 Cl N2 O5 -","- C224 H192 Cl8 N16 O40 -","8","1","","Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong","NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones","ACS Omega","2020","5","22","13454","13461","10.1021/acsomega.0c01930","","","0.71073","MoKα","","0.1561","0.0746","","","0.1877","0.2393","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1558132","22.7581","0.0006","7.6989","0.0002","23.0256","0.0006","90","","113.649","0.003","90","","3695.56","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C160 H192 Cl8 N8 O32 -","8","2","","Xu, Beibei; Jiang, Xunjin; Xiong, Jing; Lan, Jun; Tian, Yuan; Zhong, Linhai; Wang, Xinquan; Xu, Ning; Cao, Hanwei; Zhang, Wenqing; Zhang, Hao; Hong, Xiaoting; Zhan, Yan-Yan; Zhang, Yandong; Hu, Tianhui","Structure-Activity Relationship Study Enables the Discovery of a Novel Berberine Analogue as RXRα Activator to Inhibit Colon Cancer.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00088","","x-ray","1.54184","CuKα","","0.1345","0.1301","","","0.3442","0.3462","","","","","","1.098","","","","has coordinates","252444","2020-10-21","18:00:00",""
"1558133","6.703","0.0005","8.4049","0.0006","17.5344","0.0014","90","","98.188","0.003","90","","977.78","0.13","230","2","230","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N0 O5 S -","- C20 H26 O5 S -","- C40 H52 O10 S2 -","2","1","","Zhao, Zhifei; Bagdi, Prasanta Ray; Yang, Shuang; Liu, Jinggong; Cotman, Andrej Emanuel; Xu, Weici; Fang, Xinqiang","Correction to Stereodivergent Access to Enantioenriched Epoxy Alcohols with Three Stereogenic Centers via Ruthenium-Catalyzed Transfer Hydrogenation","Organic Letters","2020","","","","","10.1021/acs.orglett.0c01610","","","0.71073","MoKα","","0.0466","0.041","","","0.1159","0.1218","","","","","","1.002","","","","has coordinates","252449","2020-10-21","18:00:00",""
"1558134","5.5579","0.0002","7.7831","0.0002","25.2947","0.0007","90","","90","","90","","1094.19","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Zhao, Zhifei; Bagdi, Prasanta Ray; Yang, Shuang; Liu, Jinggong; Cotman, Andrej Emanuel; Xu, Weici; Fang, Xinqiang","Correction to Stereodivergent Access to Enantioenriched Epoxy Alcohols with Three Stereogenic Centers via Ruthenium-Catalyzed Transfer Hydrogenation","Organic Letters","2020","","","","","10.1021/acs.orglett.0c01610","","","1.54184","CuKα","","0.0322","0.0312","","","0.0801","0.081","","","","","","1.072","","","","has coordinates","252450","2020-10-21","18:00:00",""
"1558135","9.682","0.002","18.886","0.006","24.789","0.007","90","","99.902","0.011","90","","4465","2","120","1","120","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H32 Cl Cu N7 O4 -","- C18 H32 Cl Cu N7 O4 -","- C144 H256 Cl8 Cu8 N56 O32 -","8","2","","Martínez-Camarena, Álvaro; Sánchez-Murcia, Pedro A; Blasco, Salvador; González, Leticia; García-España, Enrique","Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.","Chemical communications (Cambridge, England)","2020","56","54","7511","7514","10.1039/d0cc01926g","","","0.71073","MoKα","","0.0349","0.0275","","","0.061","0.0648","","","","","","1.034","","","","has coordinates","254913","2020-10-21","18:00:00",""
"1558136","12.4358","0.0009","18.8623","0.0014","15.7372","0.0011","90","","89.999","0.002","90","","3691.4","0.5","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Au F6 Fe N2 O5 Sb -","- C32 H38 Au F6 Fe N2 O5 Sb -","- C128 H152 Au4 F24 Fe4 N8 O20 Sb4 -","4","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0182","0.0173","","","0.0392","0.0394","","","","","","1.029","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558137","14.2376","0.0009","15.3986","0.001","14.8972","0.0009","90","","98.783","0.002","90","","3227.8","0.4","100","2","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Au F6 Fe N O5 Sb -","- C27 H35 Au F6 Fe N O5 Sb -","- C108 H140 Au4 F24 Fe4 N4 O20 Sb4 -","4","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0626","0.0358","","","0.0534","0.0594","","","","","","1.019","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558138","8.6463","0.0005","19.4473","0.0012","21.4257","0.0013","90","","90","","90","","3602.7","0.4","100","2","100.01","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H46 Au Mn N2 O6 -","- C36 H46 Au Mn N2 O6 -","- C144 H184 Au4 Mn4 N8 O24 -","4","0.5","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0248","0.0196","","","0.0375","0.0388","","","","","","1.034","","","","has coordinates,has disorder","253894","2020-10-21","18:00:00",""
"1558139","10.8061","0.0008","11.9033","0.0009","13.6638","0.001","82.628","0.002","78.028","0.002","64.197","0.002","1546.5","0.2","100","2","99.94","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 Au Mn O5 P -","- C32 H33 Au Mn O5 P -","- C64 H66 Au2 Mn2 O10 P2 -","2","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0191","0.0177","","","0.0433","0.0438","","","","","","1.041","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558140","8.6971","0.0006","19.4845","0.0013","21.3902","0.0014","90","","90","","90","","3624.8","0.4","100","2","100","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H46 Ag Mn N2 O6 -","- C36 H46 Ag Mn N2 O6 -","- C144 H184 Ag4 Mn4 N8 O24 -","4","0.5","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0284","0.0239","","","0.059","0.0613","","","","","","1.053","","","","has coordinates,has disorder","253894","2020-10-21","18:00:00",""
"1558141","11.1739","0.0007","18.4203","0.0011","18.3635","0.0011","90","","106.685","0.002","90","","3620.6","0.4","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Cl2 Cu Fe N3 O4 -","- C33 H40 Cl2 Cu Fe N3 O4 -","- C132 H160 Cl8 Cu4 Fe4 N12 O16 -","4","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0366","0.0324","","","0.0856","0.0885","","","","","","1.036","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558142","20.552","0.0007","11.9252","0.0004","21.1347","0.0007","90","","112.708","0.002","90","","4778.3","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H75 N2 O2 U -","- C53 H75 N2 O2 U -","- C212 H300 N8 O8 U4 -","4","1","","Boreen, Michael A.; Gould, Colin A.; Booth, Corwin H.; Hohloch, Stephan; Arnold, John","Structure and magnetism of a tetrahedral uranium(iii) β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7938","7944","10.1039/d0dt01599g","","","0.71073","MoKα","","0.0427","0.0298","","","0.0632","0.0687","","","","","","1.033","","","","has coordinates","253923","2020-10-21","18:00:00",""
"1558143","12.2023","0.0003","16.5876","0.0006","22.5734","0.0008","75.346","0.001","80.632","0.001","69.918","0.001","4137.1","0.2","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C85 H123 I2 N4 O2 U2 -","- C85 H123 I2 N4 O2 U2 -","- C170 H246 I4 N8 O4 U4 -","2","1","","Boreen, Michael A.; Gould, Colin A.; Booth, Corwin H.; Hohloch, Stephan; Arnold, John","Structure and magnetism of a tetrahedral uranium(iii) β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7938","7944","10.1039/d0dt01599g","","","0.71073","MoKα","","0.0791","0.0577","","","0.1312","0.1411","","","","","","1.019","","","","has coordinates","253923","2020-10-21","18:00:00",""
"1558144","14.9291","0.0005","10.5173","0.0003","14.418","0.0004","90","","111.081","0.001","90","","2112.31","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DrSaad_PhMono_15_04_17","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad","Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9605","9617","10.1039/d0dt01180k","","","1.54178","CuKα","","0.0562","0.0478","","","0.1409","0.16","","","","","","0.857","","","","has coordinates","254968","2020-10-21","18:00:00",""
"1558145","8.4034","0.0009","10.6002","0.0011","12.8112","0.0014","65.879","0.005","83.922","0.006","82.056","0.006","1030","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N4 O6 -","- C46 H36 N4 O6 -","- C46 H36 N4 O6 -","1","0.5","","Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad","Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9605","9617","10.1039/d0dt01180k","","","0.71075","MoKα","","0.1472","0.1059","","","0.3056","0.3483","","","","","","1.238","","","","has coordinates,has disorder","254968","2020-10-21","18:00:00",""
"1558146","10.4756","0.0007","11.1851","0.0008","11.4936","0.0008","101.408","0.007","107.744","0.008","117.153","0.009","1047.2","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C46 H36 N4 O6 -","2","1","","Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad","Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9605","9617","10.1039/d0dt01180k","","","0.71075","MoKα","","","0.0457","","","","0.1759","","","","","","1.136","","","","has coordinates","254968","2020-10-21","18:00:00",""
"1558147","11.1251","0.0014","7.5242","0.0007","11.194","0.0012","90","","115.098","0.015","90","","848.55","0.19","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 S -","- C8 H7 N3 S -","- C32 H28 N12 S4 -","4","1","","Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam K.","Combined experimental and theoretical studies on a phenyl thiadiazole-based novel turn-on fluorescent colorimetric Schiff base chemosensor for the selective and sensitive detection of Al3+","New Journal of Chemistry","2020","44","26","10819","10832","10.1039/D0NJ01954B","","","0.71073","MoKα","","0.0548","0.0385","","","0.0982","0.1084","","","","","","1.0017","","","","has coordinates","257716","2020-10-21","18:00:00",""
"1558148","8.3643","0.0004","9.9485","0.0004","17.7102","0.0008","90","","90","","90","","1473.71","0.11","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Lydon, Christina A.; Mathivathanan, Logesh; Sanchez, Juanita; Dos Santos, Larissa A. H.; Sauvage, Thomas; Gunasekera, Sarath P.; Paul, Valerie J.; Berry, John P.","Eudesmacarbonate, a Eudesmane-Type Sesquiterpene from a Marine Filamentous Cyanobacterial Mat (Oscillatoriales) in the Florida Keys.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00203","","","0.71073","MoKα","","0.0634","0.044","","","0.0854","0.0925","","","","","","1.049","","","","has coordinates","252458","2020-10-21","18:00:00",""
"1558149","20.1441","0.0007","12.2778","0.0004","11.4937","0.0004","90","","92.993","0.001","90","","2838.8","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N2 O10 S2 -","- C28 H24 Co N2 O10 S2 -","- C112 H96 Co4 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0307","0.0273","","","0.0684","0.0712","","","","","","1.054","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558150","20.1868","0.0004","12.2668","0.0003","11.4817","0.0002","90","","92.862","0.002","90","","2839.64","0.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C112 H96 Co3.16 Fe0.84 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","1.54184","CuKα","","0.0341","0.0325","","","0.0878","0.0892","","","","","","0.996","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558151","20.1616","0.0004","12.1398","0.0004","11.4274","0.0003","90","","92.792","0.001","90","","2793.63","0.13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C112 H96 Co1.16 N8 Ni2.84 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0274","0.0256","","","0.0638","0.0649","","","","","","1.078","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558152","7.8821","0.0006","12.0559","0.0011","14.7116","0.0012","86.518","0.003","74.563","0.003","78.674","0.003","1321.25","0.19","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H34 O4 -","- C31 H34 O4 -","- C62 H68 O8 -","2","1","","Xu, Zhengshuai; Tang, Yitian; Shen, Chaoren; Zhang, Hongru; Gan, Yuxin; Ji, Xiaolei; Tian, Xinxin; Dong, Kaiwu","Nickel-catalyzed regio- and diastereoselective hydroarylative and hydroalkenylative cyclization of 1,6-dienes.","Chemical communications (Cambridge, England)","2020","56","56","7741","7744","10.1039/c9cc09450d","","","0.71073","MoKα","","0.0915","0.0741","","","0.1818","0.1973","","","","","","1.048","","","","has coordinates,has disorder","254877","2020-10-21","18:00:00",""
"1558153","5.9143","0.0001","12.5172","0.0003","14.5829","0.0003","90","","97.421","0.002","90","","1070.54","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0532","0.0523","","","0.1408","0.1417","","","","","","1.05","","","","has coordinates","257286","2020-10-21","18:00:00",""
"1558154","8.9043","0.0001","10.7948","0.0001","31.6319","0.0002","90","","90","","90","","3040.46","0.05","100","0.4","100","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","2","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0306","0.03","","","0.0748","0.0751","","","","","","1.036","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558155","14.1647","0.0002","15.302","0.0002","25.9901","0.0004","88.142","0.001","84.223","0.001","66.438","0.001","5137.23","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H129 Cl4 Mn2 N7 O12 Zn -","- C98 H129 Cl4 Mn2 N7 O12 Zn -","- C196 H258 Cl8 Mn4 N14 O24 Zn2 -","2","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Cador, Olivier; Pointillart, Fabrice; Wernsdorfer, Wolfgang; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Dual switchable molecular tweezers incorporating anisotropic Mn<sup>III</sup>-salphen complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8872","8882","10.1039/d0dt01465f","","x-ray","0.66825","synchrotron","","0.0841","0.0654","","","0.185","0.2087","","","","","","1.043","","","","has coordinates,has disorder","254996","2020-10-21","18:00:00",""
"1558156","15.1358","0.0012","16.5212","0.001","22.9401","0.0016","89.629","0.005","72.981","0.005","73.972","0.005","5254.7","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C194 H240 Cl4 Mn4 N17 O27 Zn3 -","- C194 H202 Cl4 Mn4 N17 O24 Zn3 -","- C194 H202 Cl4 Mn4 N17 O24 Zn3 -","1","0.5","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Cador, Olivier; Pointillart, Fabrice; Wernsdorfer, Wolfgang; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Dual switchable molecular tweezers incorporating anisotropic Mn<sup>III</sup>-salphen complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8872","8882","10.1039/d0dt01465f","","","1.54178","CuKα","","0.1166","0.0843","","","0.2395","0.2657","","","","","","1.048","","","","has coordinates,has disorder","254996","2020-10-21","18:00:00",""
"1558157","10.854","0.006","14.735","0.006","17.464","0.007","67.045","0.018","79.81","0.02","77.424","0.019","2497","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N4 O8 Zn -","- C22 H22 N4 O8 Zn -","- C88 H88 N16 O32 Zn4 -","4","2","","Wen, Yuehong; Liu, Qiang; Su, Shaodong; Yang, Yuying; Li, Xiaofang; Zhu, Qi-Long; Wu, Xintao","Coordination tailoring of water-labile 3D MOFs to fabricate ultrathin 2D MOF nanosheets.","Nanoscale","2020","12","24","12767","12772","10.1039/d0nr02956d","","","0.71073","MoKα","","0.1021","0.0799","","","0.1636","0.1747","","","","","","1.141","","","","has coordinates,has disorder","253930","2020-10-21","18:00:00",""
"1558158","8.5365","0.0003","12.2999","0.0003","16.448","0.0005","90","","90","","90","","1727.01","0.09","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Seijo, Lorenzo; Ondet, Pierrick; Olivero, Sandra; Duñach, Elisabet","Heterogeneous catalysis for the tandem cyclisation of unsaturated alcohols","New Journal of Chemistry","2020","44","25","10479","10483","10.1039/D0NJ01857K","","x-ray","1.54184","CuKα","","0.0426","0.04","","","0.1049","0.1076","","","","","","1.099","","","","has coordinates","257786","2020-10-21","18:00:00",""
"1558159","16.9376","0.0006","13.144","0.0004","10.6399","0.0004","90","","92.891","0.004","90","","2365.72","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","","- C25 H18 Cl F2 N5 S -","- C25 H18 Cl F2 N5 S -","- C100 H72 Cl4 F8 N20 S4 -","4","1","ZL4041","Alanazi, Saud A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","IUCrData","2020","5","5","x200700","","10.1107/S2414314620007002","","","0.71073","MoKα","","0.0955","0.0484","","","0.1036","0.1252","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","252489","2020-10-21","18:00:00",""
"1558160","10.882","0.0006","8.4029","0.0004","18.9678","0.0011","90","","95.44","0.002","90","","1726.61","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate; 1,2-dimethyl-1<i>H</i>-imidazole","","- C16 H22 N4 O3 S -","- C16 H22 N4 O3 S -","- C64 H88 N16 O12 S4 -","4","1","BV4031","Cyr, Noah; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate‒1,2-dimethyl-1<i>H</i>-imidazole co-crystal","IUCrData","2020","5","5","x200689","","10.1107/S2414314620006896","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0945","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","252490","2020-10-21","18:00:00",""
"1558161","10.2564","0.0007","6.5369","0.0005","10.9683","0.0009","90","","95.067","0.007","90","","732.5","0.1","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","Dipropylammonium 4-aminobenzenesulfonate","Dipropylazanium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C24 H44 N4 O6 S2 -","2","1","HB4347","Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François","Dipropylammonium 4-aminobenzenesulfonate","IUCrData","2020","5","5","x200659","","10.1107/S2414314620006598","","","0.71073","MoKα","","0.047","0.0388","","","0.0895","0.0966","","","","","","1.172","","","","has coordinates","252491","2020-10-21","18:00:00",""
"1558162","8.4907","0.0001","9.263","0.0001","38.6476","0.0006","90","","90","","90","","3039.61","0.07","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 O10 -","- C32 H44 O10 -","- C128 H176 O40 -","4","1","","Yu, Jin-Hai; Zhang, Hua; Zhou, Bin; Zimbres, Flavia M.; Dalal, Seema; Liu, Qun-Fang; Cassera, Maria B.; Yue, Jian-Min","Limonoids from <i>Cipadessa baccifera</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00666","","","1.54178","CuKα","","0.0429","0.0406","","","0.11","0.1121","","","","","","1.026","","","","has coordinates","252502","2020-10-21","18:00:00",""
"1558163","9.271","0.0002","9.6883","0.0003","19.4904","0.0004","90","","92.098","0.002","90","","1749.46","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Lum, Kah Yean; Taki, Aya C.; Gasser, Robin B.; Tietjen, Ian; Ekins, Merrick G.; White, Jonathan M.; Addison, Russell S.; Hayes, Sasha; St John, James; Davis, Rohan A.","Comatulins A-E, Taurine-Conjugated Anthraquinones from the Australian Crinoid <i>Comatula rotalaria</i>.","Journal of natural products","2020","83","6","1971","1979","10.1021/acs.jnatprod.0c00267","","x-ray","1.54184","CuKα","","0.0868","0.0827","","","0.2628","0.2739","","","","","","1.262","","","","has coordinates","253728","2020-10-21","18:00:00",""
"1558164","11.7394","0.0001","14.7656","0.0002","14.6955","0.0002","90","","108.172","0.001","90","","2420.26","0.05","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Cl F6 N2 O P Ru Sb -","- C16 H29 Cl F6 N2 O P Ru Sb -","- C64 H116 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.037","0.0323","","","0.0782","0.0816","","","","","","1.03","","","","has coordinates,has disorder","257220","2020-10-21","18:00:00",""
"1558165","8.3717","0.0003","21.574","0.0006","14.8558","0.0006","90","","105.025","0.004","90","","2591.39","0.16","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cl F6 N2 O P Ru Sb -","- C17 H31 Cl F6 N2 O P Ru Sb -","- C68 H124 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.0705","0.0584","","","0.1477","0.1647","","","","","","1.043","","","","has coordinates","257220","2020-10-21","18:00:00",""
"1558166","26.2516","0.0005","26.2516","0.0005","26.8975","0.0008","90","","90","","120","","16052.9","0.6","179.98","0.15","179.98","0.15","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C55 H49 Co N4 O3 -","- C55 H49 Co N4 O3 -","- C660 H588 Co12 N48 O36 -","12","1","","Wu, Zhenqiang; Peng, Chi-How; Fu, Xuefeng","Tacticity control approached by visible-light induced organocobalt-mediated radical polymerization: the synthesis of crystalline poly(N,N-dimethylacrylamide) with high isotacticity","Polymer Chemistry","2020","11","27","4387","4395","10.1039/D0PY00587H","","","0.71073","MoKα","","0.0872","0.052","","","0.1205","0.139","","","","","","1.025","","","","has coordinates","257933","2020-10-21","18:00:00",""
"1558167","26.3082","0.0011","13.2167","0.0006","19.661","0.0008","90","","94.33","0.002","90","","6816.8","0.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H57 Br2 Cl3 N2 Ni O -","- C73 H57 Br2 Cl3 N2 Ni O -","- C292 H228 Br8 Cl12 N8 Ni4 O4 -","4","1","","Hu, Xiaoqiang; Wang, Chaoqun; Jian, Zhongbao","Comprehensive studies of the ligand electronic effect on unsymmetrical α-diimine nickel(ii) promoted ethylene (co)polymerizations","Polymer Chemistry","2020","11","24","4005","4012","10.1039/D0PY00536C","","","1.54184","CuKα","","0.0568","0.0552","","","0.1477","0.1492","","","","","","1.091","","","","has coordinates","257931","2020-10-21","18:00:00",""
"1558168","11.6968","0.0008","14.6139","0.001","20.2591","0.0013","93.384","0.003","95.778","0.003","100.036","0.003","3382.3","0.4","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H52 Br2 F4 N2 Ni O -","- C72 H52 Br2 F4 N2 Ni O -","- C144 H104 Br4 F8 N4 Ni2 O2 -","2","1","","Hu, Xiaoqiang; Wang, Chaoqun; Jian, Zhongbao","Comprehensive studies of the ligand electronic effect on unsymmetrical α-diimine nickel(ii) promoted ethylene (co)polymerizations","Polymer Chemistry","2020","11","24","4005","4012","10.1039/D0PY00536C","","","1.54184","CuKα","","0.045","0.0408","","","0.0976","0.1016","","","","","","1.059","","","","has coordinates","257931","2020-10-21","18:00:00",""
"1558171","4.0972","0.0012","10.591","0.003","16.59","0.005","108.6","0.004","94.491","0.004","90.019","0.004","680","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Bi S2 -","- C13 H13 Bi S2 -","- C26 H26 Bi2 S4 -","2","1","","Mukhopadhyay, Deb Pratim; Schleier, Domenik; Wirsing, Sara; Ramler, Jacqueline; Kaiser, Dustin; Reusch, Engelbert; Hemberger, Patrick; Preitschopf, Tobias; Krummenacher, Ivo; Engels, Bernd; Fischer, Ingo; Lichtenberg, Crispin","Methylbismuth: an Organometallic Bismuthinidene Biradical","Chemical Science","2020","","","","","10.1039/D0SC02410D","","","0.71073","MoKα","","0.0293","0.0243","","","0.0525","0.054","","","","","","1.08","","","","has coordinates,has disorder","252619","2020-10-21","18:00:00",""
"1558174","6.6095","0.0001","17.787","0.0002","14.0522","0.0001","90","","103.1","0.001","90","","1609.03","0.03","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0667","0.0653","","","0.173","0.1739","","","","","","1.047","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558175","6.0571","0.0001","10.1647","0.0001","14.3715","0.0002","103.628","0.001","98.272","0.001","101.112","0.001","827.01","0.02","93.15","","93.15","","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C38 H46 N6 O4 -","2","2","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0368","0.0356","","","0.0957","0.0966","","","","","","1.081","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558176","21.7889","0.0004","16.4491","0.0004","24.0629","0.0005","90","","106.505","0.002","90","","8269","0.3","93.15","","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H87 Cu F6 N3 O5 P3 -","- C80 H87 Cu F6 N3 O5 P3 -","- C320 H348 Cu4 F24 N12 O20 P12 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.1027","0.068","","","0.1866","0.2118","","","","","","1.056","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558177","13.9419","0.0003","18.9963","0.0003","14.6207","0.0003","90","","97.9869","0.0019","90","","3834.65","0.13","123","2","123.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C96 H74 Cl6 -","- C96 H74 Cl6 -","- C192 H148 Cl12 -","2","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.0953","0.0732","","","0.2204","0.239","","","","","","1.066","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1558178","31.0383","0.0008","31.0383","0.0008","11.8708","0.0004","90","","90","","120","","9903.9","0.5","123","2","123.15","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C74 H84 O19 -","- C74.0001 H84 O19 -","- C444.001 H504 O114 -","6","0.333333","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.2302","0.1465","","","0.41","0.452","","","","","","1.51","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1558179","46.422","0.004","7.7267","0.0006","46.356","0.004","90","","109.884","0.01","90","","15636","2","123","2","123.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C201 H174 Cl6 -","- C201 H174 Cl6 -","- C804 H696 Cl24 -","4","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.4275","0.1677","","","0.3823","0.4979","","","","","","1.033","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1558180","11.0799","0.0009","15.4092","0.0015","16.833","0.002","111.731","0.01","95.979","0.008","99.11","0.007","2594.2","0.5","123","2","123.15","","","","","","","","","3","P -1","-P 1","2","","","","- C142.5 H106 O2 -","- C142.5 H106 O2 -","- C142.5 H106 O2 -","1","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.3183","0.1177","","","0.2859","0.3871","","","","","","0.959","","","","has coordinates,has disorder","252658","2020-10-21","18:00:00",""
"1558181","8.9253","0.0005","15.5724","0.0009","25.2322","0.0014","98.168","0.005","91.134","0.005","103.075","0.005","3376.5","0.3","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H83 Cl2 Cu N13 O9 Si -","- C52 H83 Cl Cu N13 O9 Si -","- C104 H166 Cl2 Cu2 N26 O18 Si2 -","2","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.0924","0.0716","","","0.202","0.2197","","","","","","1.048","","","","has coordinates","252659","2020-10-21","18:00:00",""
"1558182","9.207","0.0003","15.6088","0.0003","23.6308","0.0005","85.168","0.002","79.223","0.002","76.681","0.002","3243.35","0.14","220.01","0.1","220.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53.81 H87.51 N13 O9.45 Si -","- C53.8074 H87.5185 N13 O9.45185 Si -","- C107.615 H175.037 N26 O18.9037 Si2 -","2","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.0939","0.0809","","","0.2505","0.2641","","","","","","1.05","","","","has coordinates,has disorder","252659","2020-10-21","18:00:00",""
"1558183","9.1099","0.0002","24.1351","0.0009","34.1137","0.0011","90","","90","","90","","7500.5","0.4","150","0.02","150","0.02","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H84 Cl Cu N13 O12 Si -","- C53 H84 Cl Cu N13 O12 Si -","- C212 H336 Cl4 Cu4 N52 O48 Si4 -","4","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.1081","0.0715","","","0.1715","0.1949","","","","","","1.052","","","","has coordinates,has disorder","252659","2020-10-21","18:00:00",""
"1558184","12.7006","0.0004","10.0271","0.0005","20.1044","0.001","90","","106.525","0.003","90","","2454.55","0.19","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Compound X","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","2","","RESENDE, Pamela C. S.; COURI, Mara R. C.; MIGUEL, Fábio B.; CUIN, Alexandre","Analytical, Spectroscopic and Crystallographic Characterization of 3-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]pentane-2,4-dione","X-ray Structure Analysis Online","2020","36","0","15","16","10.2116/xraystruct.36.15","","x-ray","0.71073","MoKα","","0.1494","0.0831","","","0.2238","0.2565","","","","","","1.045","","","","has coordinates","258168","2020-10-21","18:00:00",""
"1558185","10.4786","0.0003","18.9864","0.0004","22.1096","0.0005","90","","100.077","0.002","90","","4330.87","0.18","130","","130","","","","","","","","Marco Meyer","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl Cu F6 N2 O P3 -","- C47 H37 Cl Cu F6 N2 O P3 -","- C188 H148 Cl4 Cu4 F24 N8 O4 P12 -","4","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1124","0.1124","","0.0443","0.0443","0.0443","","","","","","1.0315","","","","has coordinates,has disorder","252936","2020-10-21","18:00:00",""
"1558186","11.4363","0.0006","14.0871","0.0006","14.803","0.0007","89.133","0.004","68.457","0.004","88.73","0.004","2217.62","0.19","130","","130","","","","","","","","Marco Meyer","8","P -1","-P 1","2","","","","- C50 H41 Cl Cu F6 N2 O P3 -","- C50 H41 Cl Cu F6 N2 O P3 -","- C100 H82 Cl2 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1112","0.1112","","0.0483","0.0483","0.0466","","","","","","0.9937","","","","has coordinates,has disorder","252937","2020-10-21","18:00:00",""
"1558187","9.3351","0.0005","18.4709","0.0009","14.3598","0.0007","90","","93.846","0.001","90","","2470.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O Sn -","- C29 H27 N O Sn -","- C116 H108 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0281","0.0212","","","0.0423","0.0452","","","","","","1.105","","","","has coordinates","252938","2020-10-21","18:00:00",""
"1558188","9.1303","0.0004","9.302","0.0004","24.2461","0.0011","90.942","0.001","91.775","0.001","91.724","0.001","2056.99","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O Sn -","- C23 H22 Cl N O Sn -","- C92 H88 Cl4 N4 O4 Sn4 -","4","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0255","0.0205","","","0.0398","0.0413","","","","","","1.096","","","","has coordinates","252939","2020-10-21","18:00:00",""
"1558189","10.5295","0.0007","10.0336","0.0005","17.1396","0.0011","90","","96.677","0.002","90","","1798.5","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br2 N O Sn -","- C17 H17 Br2 N O Sn -","- C68 H68 Br8 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0358","0.0219","","","0.0383","0.0422","","","","","","1.052","","","","has coordinates,has disorder","252940","2020-10-21","18:00:00",""
"1558190","8.453","0.0005","10.2368","0.0005","11.7987","0.0007","93.059","0.002","101.936","0.002","108.325","0.002","940.5","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Br2 N O Sn -","- C18 H19 Br2 N O Sn -","- C36 H38 Br4 N2 O2 Sn2 -","2","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.025","0.0183","","","0.0358","0.0387","","","","","","1.115","","","","has coordinates","252941","2020-10-21","18:00:00",""
"1558191","8.4502","0.0002","18.9557","0.0005","31.5231","0.0009","90","","90","","90","","5049.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O Sn -","- C30 H29 N O Sn -","- C240 H232 N8 O8 Sn8 -","8","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0449","0.0316","","","0.0485","0.0517","","","","","","0.987","","","","has coordinates","252942","2020-10-21","18:00:00",""
"1558192","19.422","0.002","22.654","0.003","25.321","0.003","115.783","0.004","92.992","0.005","106.118","0.005","9443","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C133 H101 Cl5 I3 N9 Ni12 O35 -","- C133 H87 Cl5 I3 N9 Ni12 O35 -","- C266 H174 Cl10 I6 N18 Ni24 O70 -","2","1","","Perlepe, Panagiota S.; Pantelis, Konstantinos N.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.","Rare Nuclearities in Ni(II) Cluster Chemistry: An Unprecedented {Ni12} Nanosized Cage from the Use of N-Naphthalidene-2-Amino-5-Chlorobenzoic Acid","Inorganics","2020","8","5","32","","10.3390/inorganics8050032","","","0.71073","MoKα","","0.1221","0.0872","","","0.2099","0.2361","","","","","","1.04","","","","has coordinates","252943","2020-10-21","18:00:00",""
"1558193","5.3626","0.0002","5.3626","0.0002","10.5873","0.0005","90","","90","","90","","304.46","0.02","299","2","299","2","","","","","","","","4","I -4 2 m","I -4 2","121","richardsite","","","- Cu Ga S4 Zn2 -","- Cu Ga S4 Zn2 -","- Cu2 Ga2 S8 Zn4 -","2","0.125","","Bindi, Luca; Jaszczak, John A.","Richardsite, Zn2CuGaS4, A New Gallium-Essential Member of the Stannite Group from the Gem Mines near Merelani, Tanzania","Minerals","2020","10","5","467","","10.3390/min10050467","","","0.71073","MoKα","","0.0332","0.0284","","","0.0862","0.0895","","","","","","1.129","","","","has coordinates","252944","2020-10-21","18:00:00",""
"1558194","9.4765","0.0003","9.2067","0.0003","24.1253","0.0007","90","","92.1209","0.0007","90","","2103.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br N O6 -","- C23 H18 Br N O6 -","- C92 H72 Br4 N4 O24 -","4","1","","Ryzhkova, Yuliya E.; Ryzhkov, Fedor V.; Elinson, Michail N.","3-(4-Bromophenyl)-4-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](m-tolyl)methyl}isoxazol-5(2H)-one","Molbank","2020","2020","2","M1135","","10.3390/M1135","","","0.71073","MoKα","","0.0604","0.04","","","0.0893","0.1023","","","","","","1.046","","","","has coordinates","252945","2020-10-21","18:00:00",""
"1558195","8.4965","0.0005","7.8419","0.0005","26.1413","0.0017","90","","90.318","0.002","90","","1741.73","0.19","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 In N4 -","- C12 H36 Ag Br12 In N4 -","- C24 H72 Ag2 Br24 In2 N8 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.71073","MoKα","","0.0684","0.0599","","","0.1573","0.1641","","","","","","1.112","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558196","11.3098","0.0004","12.6075","0.0005","18.2063","0.0007","90","","95.713","0.002","90","","2583.11","0.17","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Ag Br8 N6 Tl -","- C10 H22 Ag Br8 N6 Tl -","- C40 H88 Ag4 Br32 N24 Tl4 -","4","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.05","0.0496","","","0.1036","0.1041","","","","","","1.126","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558197","8.4673","0.0003","7.8406","0.0003","26.1647","0.001","90","","90.312","0.002","90","","1737.01","0.11","298","","298","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 N4 Tl -","- C12 H36 Ag Br12 N4 Tl -","- C24 H72 Ag2 Br24 N8 Tl2 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.0495","0.038","","","0.0862","0.0905","","","","","","1.082","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558198","7.8617","0.0006","7.8687","0.0006","23.0185","0.0011","83.703","0.005","85.727","0.005","89.818","0.006","1411.41","0.17","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag Br7 Cs N2 Tl -","- C16 H24 Ag Br7 Cs N2 Tl -","- C32 H48 Ag2 Br14 Cs2 N4 Tl2 -","2","1","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.6888","synchrotron","","0.0882","0.0661","","","0.1745","0.1934","","","","","","1.072","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558199","8.1603","0.0002","9.806","0.0003","10.9374","0.0002","92.13","0.003","108.187","0.002","114.618","0.002","741.61","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.61 N2 O2 -","- C18 H14.606 N2 O2 -","- C36 H29.212 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0345","0.0322","","","0.0896","0.0912","","","","","","1.085","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558200","8.18873","0.00015","9.82362","0.00013","10.94583","0.00015","92.3016","0.0011","108.097","0.0014","114.537","0.0015","746.66","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.6 N2 O2 -","- C18 H14.6 N2 O2 -","- C36 H29.2 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0366","0.0336","","","0.0937","0.0959","","","","","","1.096","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558201","8.20354","0.00016","9.82973","0.00015","10.95062","0.00015","92.3825","0.0012","108.058","0.0014","114.49","0.0017","749.11","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.58 N2 O2 -","- C18 H14.582 N2 O2 -","- C36 H29.164 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0377","0.0343","","","0.0964","0.0992","","","","","","1.108","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558202","8.23553","0.00013","9.85058","0.00013","10.96006","0.00014","92.5489","0.0011","107.957","0.0013","114.434","0.0014","754.73","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.6 N2 O2 -","- C18 H14.602 N2 O2 -","- C36 H29.204 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0401","0.0356","","","0.0992","0.1034","","","","","","1.055","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558203","8.17391","0.00017","9.8142","0.00015","10.94231","0.00017","92.2144","0.0013","108.147","0.0016","114.571","0.0017","744.1","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.59 N2 O2 -","- C18 H14.588 N2 O2 -","- C36 H29.176 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0359","0.0335","","","0.0922","0.0941","","","","","","1.109","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558204","8.12328","0.00014","9.8351","0.0002","10.91847","0.00014","92.3839","0.0018","107.856","0.0013","114.498","0.0015","741.07","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.03 N2 O2 -","- C18 H15.026 N2 O2 -","- C36 H30.052 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.034","0.032","","","0.086","0.0876","","","","","","1.066","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558205","8.21931","0.00013","9.84133","0.00013","10.95472","0.00014","92.4662","0.0011","108.006","0.0013","114.464","0.0014","751.94","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.61 N2 O2 -","- C18 H14.612 N2 O2 -","- C36 H29.224 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0387","0.0347","","","0.0982","0.1016","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558206","8.13837","0.00014","9.845","0.0002","10.92312","0.00012","92.4784","0.0016","107.824","0.0012","114.466","0.0015","743.63","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.01 N2 O2 -","- C18 H15.012 N2 O2 -","- C36 H30.024 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0354","0.0332","","","0.0893","0.0912","","","","","","1.053","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558207","8.15433","0.00011","9.85391","0.00012","10.92795","0.00012","92.5643","0.0009","107.788","0.0011","114.426","0.0012","746.298","0.019","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.036","0.0336","","","0.0919","0.0939","","","","","","1.061","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558208","8.18944","0.00009","9.8706","0.0001","10.93717","0.00011","92.7279","0.0008","107.74","0.0009","114.348","0.001","751.727","0.016","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0377","0.0344","","","0.0974","0.1005","","","","","","1.087","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558209","8.17154","0.0001","9.86186","0.00011","10.93238","0.00011","92.6441","0.0008","107.766","0.001","114.385","0.0011","748.951","0.018","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0369","0.034","","","0.0954","0.0981","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558210","8.2084","0.0001","9.88002","0.0001","10.94248","0.0001","92.814","0.0008","107.711","0.0009","114.311","0.0011","754.705","0.017","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0395","0.0353","","","0.0999","0.104","","","","","","1.088","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558211","8.09764","0.00012","9.8669","0.00019","10.89543","0.00013","92.528","0.0017","107.588","0.0012","114.469","0.0014","740.79","0.02","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.008 H15.508 N2 O2 -","- C36.016 H31.016 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0339","0.0321","","","0.0903","0.0919","","","","","","1.069","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558212","8.11309","0.00011","9.8742","0.00017","10.89995","0.00012","92.6153","0.0016","107.553","0.0011","114.438","0.0013","743.2","0.02","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.5 N2 O2 -","- C18.004 H15.504 N2 O2 -","- C36.008 H31.008 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0354","0.033","","","0.0922","0.0944","","","","","","1.072","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558213","8.14797","0.0001","9.89332","0.00016","10.90921","0.00011","92.7875","0.0014","107.497","0.001","114.364","0.0012","748.78","0.02","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.014 H15.514 N2 O2 -","- C36.028 H31.028 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0371","0.0341","","","0.0959","0.099","","","","","","1.071","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558214","8.13025","0.0001","9.88487","0.00015","10.90533","0.00011","92.7008","0.0014","107.519","0.001","114.402","0.0012","746.12","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.01 H15.51 N2 O2 -","- C36.02 H31.02 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0362","0.0335","","","0.0937","0.0961","","","","","","1.057","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558215","8.16783","0.0001","9.90151","0.00016","10.91446","0.00011","92.8705","0.0014","107.486","0.001","114.321","0.0012","751.69","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.01 H15.51 N2 O2 -","- C36.02 H31.02 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0381","0.0348","","","0.0985","0.1015","","","","","","1.069","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558216","8.07384","0.00014","9.7536","0.0002","10.90755","0.00017","92.9033","0.0015","107.326","0.0015","114.087","0.0019","733.83","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.95 H14 N3.05 O2 -","- C16.948 H14 N3.048 O2 -","- C33.896 H28 N6.096 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0509","0.0442","","","0.1163","0.1206","","","","","","1.089","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558217","8.1172","0.0002","9.7795","0.0003","10.9256","0.0002","93.2084","0.0019","107.177","0.002","113.972","0.003","741.6","0.04","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.92 H14 N3.07 O2 -","- C16.92 H14 N3.07 O2 -","- C33.84 H28 N6.14 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0557","0.0455","","","0.1264","0.1336","","","","","","1.072","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558218","8.1338","0.0002","9.791","0.0003","10.934","0.0003","93.322","0.002","107.125","0.002","113.929","0.003","744.78","0.04","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.9 H14 N3.08 O2 -","- C16.9 H14 N3.086 O2 -","- C33.8 H28 N6.172 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0565","0.0448","","","0.1175","0.1251","","","","","","1.052","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558219","8.10148","0.00018","9.7713","0.0002","10.9201","0.0002","93.1101","0.0018","107.23","0.0019","114.004","0.002","738.97","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.96 H14 N3.04 O2 -","- C16.96 H14 N3.038 O2 -","- C33.92 H28 N6.076 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0536","0.0451","","","0.1223","0.1288","","","","","","1.057","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558220","8.0587","0.0002","9.7436","0.0003","10.9027","0.0002","92.797","0.002","107.379","0.002","114.108","0.003","731.27","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.97 H14 N3.01 O2 -","- C16.974 H14 N3.014 O2 -","- C33.948 H28 N6.028 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0496","0.043","","","0.1164","0.1205","","","","","","1.078","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558221","8.18898","0.0001","9.90985","0.00017","10.91962","0.00012","92.962","0.0016","107.478","0.0011","114.277","0.0013","754.69","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.02 H15.52 N2 O2 -","- C18.018 H15.518 N2 O2 -","- C36.036 H31.036 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0402","0.0362","","","0.1033","0.1068","","","","","","1.088","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558222","7.9981","0.0002","9.7278","0.0003","10.8484","0.0003","93.16","0.002","106.919","0.003","113.993","0.003","723.07","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.53 H14 N3.47 O2 -","- C16.526 H14 N3.466 O2 -","- C33.052 H28 N6.932 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0468","0.0419","","","0.1159","0.1204","","","","","","1.071","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558223","8.01758","0.00017","9.732","0.0002","10.86038","0.00018","93.301","0.0015","106.87","0.0017","113.897","0.002","726.41","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.51 H14 N3.49 O2 -","- C16.508 H14 N3.492 O2 -","- C33.016 H28 N6.984 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0523","0.0442","","","0.1256","0.1318","","","","","","1.09","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558224","8.08726","0.00015","9.7628","0.0002","10.91257","0.00018","93.0131","0.0015","107.272","0.0016","114.044","0.0019","736.33","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.94 H14 N3.06 O2 -","- C16.936 H14 N3.054 O2 -","- C33.872 H28 N6.108 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0503","0.0433","","","0.1199","0.124","","","","","","1.099","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558225","8.0515","0.0002","9.7483","0.0003","10.8766","0.0003","93.548","0.002","106.805","0.002","113.77","0.003","732.23","0.04","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.48 H14 N3.52 O2 -","- C16.478 H14 N3.524 O2 -","- C32.956 H28 N7.048 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0562","0.0458","","","0.132","0.1416","","","","","","1.094","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558226","8.0696","0.0002","9.7563","0.0003","10.8866","0.0003","93.656","0.002","106.798","0.003","113.712","0.003","735.24","0.04","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.49 H14 N3.51 O2 -","- C16.488 H14 N3.51 O2 -","- C32.976 H28 N7.02 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0583","0.0462","","","0.1272","0.1378","","","","","","1.055","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558227","8.0903","0.0003","9.7624","0.0003","10.8911","0.0003","93.754","0.003","106.789","0.003","113.675","0.004","737.88","0.05","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.47 H14 N3.52 O2 -","- C16.468 H14 N3.52 O2 -","- C32.936 H28 N7.04 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0676","0.0542","","","0.151","0.179","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558228","8.03328","0.00018","9.7401","0.0002","10.8685","0.0002","93.4267","0.0017","106.846","0.0019","113.829","0.002","729.18","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.51 H14 N3.49 O2 -","- C16.514 H14 N3.492 O2 -","- C33.028 H28 N6.984 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0542","0.0453","","","0.1279","0.1357","","","","","","1.041","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558229","8.0377","0.0003","9.8551","0.0004","10.8773","0.0003","92.913","0.004","107.077","0.003","114.297","0.003","735.96","0.05","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.6 H15.6 N2.4 O2 -","- C17.604 H15.604 N2.396 O2 -","- C35.208 H31.208 N4.792 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0378","0.0357","","","0.1023","0.1042","","","","","","1.085","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558230","8.05644","0.00011","9.86768","0.00017","10.88249","0.00016","92.9895","0.0018","107.093","0.0013","114.302","0.0013","738.62","0.02","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.57 H15.57 N2.43 O2 -","- C17.572 H15.572 N2.4278 O2 -","- C35.144 H31.144 N4.8556 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0393","0.0364","","","0.1055","0.1084","","","","","","1.088","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558231","8.06741","0.00016","9.8484","0.0002","10.893","0.0002","93.6858","0.0016","106.675","0.0017","113.951","0.002","741.35","0.03","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.03 H15.03 N2.97 O2 -","- C17.03 H15.03 N2.972 O2 -","- C34.06 H30.06 N5.944 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0519","0.0404","","","0.1087","0.1226","","","","","","1.036","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558232","8.09014","0.0001","9.88806","0.00015","10.89279","0.00013","93.1584","0.0016","107.044","0.0011","114.243","0.0011","744.09","0.02","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.56 H15.56 N2.44 O2 -","- C17.56 H15.56 N2.441 O2 -","- C35.12 H31.12 N4.882 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0409","0.0372","","","0.1068","0.1104","","","","","","1.08","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558233","8.10962","0.00013","9.89822","0.00018","10.89834","0.00015","93.245","0.0018","107.036","0.0013","114.206","0.0013","747.06","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.54 H15.54 N2.46 O2 -","- C17.542 H15.542 N2.4576 O2 -","- C35.084 H31.084 N4.9152 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0432","0.0381","","","0.1089","0.1141","","","","","","1.069","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558234","8.04836","0.00015","9.83877","0.00018","10.88786","0.00018","93.5909","0.0014","106.703","0.0016","113.993","0.0018","738.39","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.04 H15.04 N2.96 O2 -","- C17.038 H15.038 N2.962 O2 -","- C34.076 H30.076 N5.924 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0479","0.0387","","","0.1032","0.1148","","","","","","1.042","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558235","8.07233","0.0001","9.87774","0.00015","10.88779","0.00014","93.07","0.0016","107.065","0.0011","114.273","0.0011","741.29","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.55 H15.55 N2.45 O2 -","- C17.552 H15.552 N2.4496 O2 -","- C35.104 H31.104 N4.8992 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0397","0.0364","","","0.1047","0.108","","","","","","1.071","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558236","7.99695","0.00015","9.8077","0.0003","10.8728","0.0002","93.323","0.003","106.818","0.0017","114.09","0.002","729.92","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.08 H15.08 N2.92 O2 -","- C17.084 H15.084 N2.9156 O2 -","- C34.168 H30.168 N5.8312 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0423","0.037","","","0.1024","0.109","","","","","","1.052","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558237","8.13099","0.00012","9.90773","0.00012","10.90319","0.00014","93.353","0.001","107.021","0.0013","114.161","0.0013","750.13","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.54 H15.54 N2.46 O2 -","- C17.542 H15.542 N2.458 O2 -","- C35.084 H31.084 N4.916 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0452","0.0398","","","0.1081","0.1131","","","","","","0.991","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558238","8.03047","0.00014","9.82913","0.00017","10.88163","0.00017","93.5015","0.0014","106.735","0.0015","114.029","0.0017","735.48","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.09 H15.09 N2.91 O2 -","- C17.088 H15.088 N2.9116 O2 -","- C34.176 H30.176 N5.8232 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0465","0.039","","","0.1026","0.1114","","","","","","1.043","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558239","8.01388","0.00015","9.81882","0.00018","10.8766","0.00017","93.4063","0.0014","106.777","0.0015","114.063","0.0018","732.7","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.07 H15.07 N2.93 O2 -","- C17.072 H15.072 N2.9268 O2 -","- C34.144 H30.144 N5.8536 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0438","0.0376","","","0.1044","0.1123","","","","","","1.045","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558240","8.0886","0.0002","9.8583","0.0002","10.9012","0.0002","93.7995","0.0018","106.674","0.002","113.898","0.002","744.61","0.03","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.05 H15.05 N2.95 O2 -","- C17.05 H15.05 N2.952 O2 -","- C34.1 H30.1 N5.904 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0562","0.0415","","","0.1105","0.1288","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558241","7.98898","0.00012","9.77584","0.00013","10.85419","0.00016","93.7189","0.0012","106.507","0.0014","113.822","0.0014","727.76","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.46 H14.46 N3.54 O2 -","- C32.92 H28.92 N7.08 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0428","0.0394","","","0.1134","0.1168","","","","","","1.086","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558242","8.17264","0.00014","9.78791","0.00016","10.94559","0.00017","92.4657","0.0013","107.828","0.0015","114.409","0.0016","744.37","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.34 H14 N2.66 O2 -","- C17.336 H14 N2.664 O2 -","- C34.672 H28 N5.328 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.047","0.0401","","","0.1117","0.1185","","","","","","1.051","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558243","8.1874","0.00015","9.79793","0.00017","10.95147","0.00018","92.5603","0.0014","107.767","0.0016","114.368","0.0017","747.21","0.03","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.31 H14 N2.69 O2 -","- C17.312 H14 N2.688 O2 -","- C34.624 H28 N5.376 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0494","0.0413","","","0.1148","0.1225","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558244","8.15991","0.00018","9.7782","0.0002","10.9363","0.0003","92.3422","0.0018","107.888","0.002","114.448","0.002","741.61","0.04","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.346 H14 N2.654 O2 -","- C34.692 H28 N5.308 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0457","0.0402","","","0.1123","0.1172","","","","","","1.061","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558245","8.20177","0.00017","9.80593","0.00019","10.9558","0.0002","92.6345","0.0016","107.715","0.0018","114.33","0.0019","749.76","0.03","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.31 H14 N2.69 O2 -","- C17.31 H14 N2.69 O2 -","- C34.62 H28 N5.38 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0502","0.0405","","","0.1143","0.1232","","","","","","1.05","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558246","7.9687","0.0002","9.7664","0.0002","10.8474","0.0002","93.626","0.0017","106.527","0.002","113.856","0.002","724.72","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.59 H14.59 N3.41 O2 -","- C16.486 H14.486 N3.514 O2 -","- C32.972 H28.972 N7.028 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.042","0.0388","","","0.1084","0.1117","","","","","","1.064","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558247","8.14555","0.00015","9.77001","0.00017","10.9352","0.0002","92.273","0.0014","107.942","0.0016","114.49","0.0017","739.23","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.348 H14 N2.652 O2 -","- C34.696 H28 N5.304 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0434","0.0386","","","0.1064","0.1107","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558248","8.13293","0.00019","9.7619","0.0002","10.9275","0.0003","92.167","0.002","107.99","0.002","114.537","0.002","736.68","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.354 H14 N2.648 O2 -","- C34.708 H28 N5.296 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0426","0.0382","","","0.1056","0.1091","","","","","","1.066","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558249","8.02672","0.00012","9.79494","0.00016","10.86753","0.00018","93.9195","0.0013","106.46","0.0014","113.719","0.0015","733.83","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.46 H14.46 N3.54 O2 -","- C32.92 H28.92 N7.08 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0472","0.0422","","","0.1206","0.1254","","","","","","1.063","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558250","8.00509","0.00019","9.78356","0.00018","10.8603","0.0002","93.8151","0.0016","106.48","0.0019","113.764","0.002","730.44","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.45 H14.45 N3.55 O2 -","- C16.45 H14.45 N3.55 O2 -","- C32.9 H28.9 N7.1 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0455","0.0412","","","0.116","0.1205","","","","","","1.07","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558251","8.04776","0.00011","9.80445","0.00015","10.87711","0.00016","94.0306","0.0012","106.45","0.0013","113.656","0.0014","737.25","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.458 H14.458 N3.542 O2 -","- C32.916 H28.916 N7.084 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0494","0.0433","","","0.1247","0.1308","","","","","","1.079","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558252","7.9561","0.0002","9.75452","0.00015","10.8395","0.0002","93.5338","0.0016","106.566","0.002","113.885","0.0019","722.05","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.5 H14.5 N3.5 O2 -","- C16.496 H14.496 N3.504 O2 -","- C32.992 H28.992 N7.008 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0398","0.0372","","","0.1058","0.1083","","","","","","1.058","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558253","28.78","0.003","10.3596","0.0009","15.8174","0.0013","90","","90.308","0.005","90","","4715.9","0.7","149.9","","149.9","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0538","0.0395","","","0.1003","0.1108","","","","","","1.066","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558254","16.4813","0.0008","27.568","0.0013","12.5577","0.0007","90","","104.255","0.002","90","","5530","0.5","149.62","","149.62","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C242 H244 B8 Cl8 F8 Ir4 N24 -","4","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0491","0.0356","","","0.083","0.0899","","","","","","1.055","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558255","26.308","0.006","7.8235","0.0016","24.123","0.005","90","","112.783","0.014","90","","4577.6","1.8","99","2","99.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0969","0.0577","","","0.1215","0.1402","","","","","","1.028","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558256","18.4114","0.0015","18.6821","0.0019","22.004","0.002","93.733","0.004","105.248","0.004","113.314","0.003","6582.5","1.1","100","2","99.69","","","","","","","","","7","P -1","-P 1","2","","","","- C61.88 H40.12 B2 F26 Ir N6 O2 -","- C61.875 H40.125 B2 F26 Ir N6 O2 -","- C247.5 H160.5 B8 F104 Ir4 N24 O8 -","4","2","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0766","0.0526","","","0.1278","0.1432","","","","","","1.037","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558257","12.4966","0.0004","21.3798","0.0007","17.4791","0.0006","90","","99.826","0.003","90","","4601.5","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H53 Cl2 P3 Ru -","- C51 H53 Cl2 P3 Ru -","- C204 H212 Cl8 P12 Ru4 -","4","1","","Wang, Zheng; Zhao, Ziwei; Li, Yong; Zhong, Yanxia; Zhang, Qiuyue; Liu, Qingbin; Solan, Gregory; Ma, Yanping; Sun, Wen Hua","Ruthenium-catalyzed Hydrogenation of CO2 as a Route to Methyl Esters for use as Biofuels or fine Chemicals","Chemical Science","2020","","","","","10.1039/D0SC02942D","","","0.71073","MoKα","","0.1426","0.0771","","","0.1831","0.2175","","","","","","1.032","","","","has coordinates","252962","2020-10-21","18:00:00",""
"1558258","19.968","0.004","12.863","0.003","19.229","0.004","90","","105.75","0.03","90","","4753.5","1.9","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H55 Cl2 O5 P3 Ru -","- C52 H55 Cl2 O5 P3 Ru -","- C208 H220 Cl8 O20 P12 Ru4 -","4","1","","Wang, Zheng; Zhao, Ziwei; Li, Yong; Zhong, Yanxia; Zhang, Qiuyue; Liu, Qingbin; Solan, Gregory; Ma, Yanping; Sun, Wen Hua","Ruthenium-catalyzed Hydrogenation of CO2 as a Route to Methyl Esters for use as Biofuels or fine Chemicals","Chemical Science","2020","","","","","10.1039/D0SC02942D","","","0.71073","MoKα","","0.0363","0.0356","","","0.0844","0.0851","","","","","","1.0397","","","","has coordinates,has disorder","252962","2020-10-21","18:00:00",""
"1558259","15.1904","0.0002","15.2935","0.0003","23.3304","0.0004","90","","90","","90","","5419.99","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Co N4 O2 -","- C34 H26 Co N4 O2 -","- C272 H208 Co8 N32 O16 -","8","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0469","0.0355","","","0.0957","0.1006","","","","","","1.033","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558260","11.1539","0.0003","16.6946","0.0004","14.6989","0.0003","90","","99.257","0.002","90","","2701.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Co N4 O2 -","- C34 H24 Co N4 O2 -","- C136 H96 Co4 N16 O8 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.08","0.0649","","","0.1669","0.18","","","","","","1.061","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558261","14.5135","0.0005","16.2562","0.0004","17.4421","0.0008","87.763","0.003","69.624","0.004","70.719","0.003","3627.9","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H35 Co N4 O4 -","- C38 H35 Co N4 O4 -","- C152 H140 Co4 N16 O16 -","4","2","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.1157","0.0909","","","0.2336","0.2488","","","","","","1.032","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558262","10.53544","0.00014","12.59025","0.00016","15.1966","0.0002","79.8711","0.0012","86.4335","0.0012","78.999","0.0011","1947","0.05","155","0.1","155","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Co N2 O5 P -","- C45 H39 Co N2 O5 P -","- C90 H78 Co2 N4 O10 P2 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0599","0.0475","","","0.1278","0.1343","","","","","","1.041","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558263","13.10757","0.00017","22.2355","0.0003","16.9979","0.0002","90","","101.054","0.0014","90","","4862.18","0.11","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H61 Co N2 O6 P -","- C55 H61 Co N2 O6 P -","- C220 H244 Co4 N8 O24 P4 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0618","0.0466","","","0.123","0.1314","","","","","","1.051","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558264","11.6863","0.0007","20.5971","0.0008","19.6222","0.0009","90","","106.514","0.006","90","","4528.3","0.4","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 Cl4 Co N6 O3 -","- C53 H41 Cl4 Co N6 O3 -","- C212 H164 Cl16 Co4 N24 O12 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.0898","0.067","","","0.1809","0.1965","","","","","","1.017","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558265","10.9148","0.0002","12.216","0.0002","14.515","0.0003","77.378","0.002","74.686","0.002","89.375","0.002","1819.28","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Co N4 O4 -","- C45 H39 Co N4 O4 -","- C90 H78 Co2 N8 O8 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0449","0.0393","","","0.1085","0.1124","","","","","","1.056","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558270","22.6283","0.0013","8.7736","0.0005","18.5643","0.001","90","","105.17","0.002","90","","3557.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.98 H100.97 Fe2 N4 O7.98 Ti2 -","- C70.916 H100.82 Fe2 N4 O7.96 Ti2 -","- C141.832 H201.64 Fe4 N8 O15.92 Ti4 -","2","0.5","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0582","0.0496","","","0.1381","0.1468","","","","","","1.027","","","","has coordinates,has disorder","258777","2020-11-06","10:41:22",""
"1558271","22.8642","0.0012","9.1582","0.0005","19.4463","0.001","90","","106.447","0.001","90","","3905.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57.63 Fe N2 O4 Zr -","- C39 H57.623 Fe N2 O4 Zr -","- C156 H230.492 Fe4 N8 O16 Zr4 -","4","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0437","0.0353","","","0.0841","0.0888","","","","","","1.011","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558272","9.0808","0.0008","9.9464","0.0008","21.5037","0.0018","93.147","0.003","91.175","0.003","115.995","0.002","1741","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.51 H58.93 N2 O4 Zr -","- C31.522 H58.94 N2 O4 Zr -","- C63.044 H117.88 N4 O8 Zr2 -","2","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.055","0.0459","","","0.1051","0.1102","","","","","","0.918","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558273","26.1034","0.0016","13.6068","0.0008","18.7389","0.0011","90","","90.427","0.002","90","","6655.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H58 N2 O4 Ti -","- C30.5 H57.5 N2 O4 Ti -","- C244 H460 N16 O32 Ti8 -","8","2","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0744","0.0656","","","0.1482","0.1522","","","","","","1.185","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558274","8.0721","0.0002","15.6353","0.0005","16.4422","0.0005","90","","98.2832","0.0014","90","","2053.52","0.1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H28 B F4 N2 O2.5 -","- C21 H28 B F4 N2 O2.5 -","- C84 H112 B4 F16 N8 O10 -","4","2","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0459","0.0424","","","0.0996","0.105","","","","","","1.068","","","","has coordinates,has disorder","253052","2020-10-21","18:00:00",""
"1558275","9.6961","0.0003","10.2407","0.0003","23.6533","0.0008","90","","90","","90","","2348.65","0.13","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B2 F8 N2 O2 -","- C22 H30 B2 F8 N2 O2 -","- C88 H120 B8 F32 N8 O8 -","4","1","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0268","0.0256","","","0.0638","0.0651","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1558276","33.189","0.008","10.162","0.003","7.2434","0.0018","90","","90","","90","","2443","1.1","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 -","- C14 H9 N7 -","- C112 H72 N56 -","8","1","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.0923","0.0497","","","0.1122","0.1334","","","","","","1.059","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558277","3.7357","0.0018","14.805","0.007","23.784","0.011","90","","90.284","0.007","90","","1315.4","1.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 O1.7 -","- C14 H9 N7 O1.7 -","- C56 H36 N28 O6.8 -","4","1","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.147","0.0665","","","0.1518","0.1946","","","","","","1","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558278","18.0949","0.0007","8.8509","0.0004","17.3684","0.0007","90","","117.796","0.001","90","","2460.69","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 -","- C14 H9 N7 -","- C112 H72 N56 -","8","2","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.0696","0.0468","","","0.1245","0.1415","","","","","","1.028","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558279","20.0369","0.0008","20.7253","0.0013","37.5767","0.0007","91.916","0.003","97.441","0.002","118.103","0.005","13569.1","1.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C198 H88 Au42 F66 -","- C198 H88 Au42 F66 -","- C396 H176 Au84 F132 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Liu, Zi-Rui; Wang, Quan-Ming","Homoleptic alkynyl-protected gold nanoclusters with unusual compositions and structures.","Nanoscale","2020","12","25","13346","13350","10.1039/d0nr02986f","","","1.54184","CuKα","","0.2276","0.1675","","","0.3992","0.446","","","","","","1.323","","","","has coordinates,has disorder","253933","2020-10-21","18:00:00",""
"1558280","17.5491","0.0003","38.753","0.0008","32.9349","0.001","90","","91.332","0.002","90","","22392.3","0.9","99.99","0.13","99.99","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C208 H104 Au50 F26 -","- C208 H104 Au50 F26 -","- C832 H416 Au200 F104 -","4","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Liu, Zi-Rui; Wang, Quan-Ming","Homoleptic alkynyl-protected gold nanoclusters with unusual compositions and structures.","Nanoscale","2020","12","25","13346","13350","10.1039/d0nr02986f","","x-ray","1.54184","CuKα","","0.1148","0.0984","","","0.2644","0.2777","","","","","","1.05","","","","has coordinates","253933","2020-10-21","18:00:00",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","253063","2020-10-21","18:00:00",""
"1558282","16.6707","0.0014","9.3051","0.0009","13.8903","0.0013","90","","107.808","0.003","90","","2051.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Yang, Ping; Zheng, Chao; Nie, Yu-Han; You, Shuli","Palladium-Catalyzed Dearomative 1,4-Difunctionalization of Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02816A","","","0.71073","MoKα","","0.0854","0.0502","","","0.115","0.1388","","","","","","1.051","","","","has coordinates","253075","2020-10-21","18:00:00",""
"1558283","12.8388","0.0004","11.4187","0.0004","13.7487","0.0004","90","","113.469","0.001","90","","1848.85","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Yang, Ping; Zheng, Chao; Nie, Yu-Han; You, Shuli","Palladium-Catalyzed Dearomative 1,4-Difunctionalization of Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02816A","","","0.71073","MoKα","","0.0531","0.0415","","","0.111","0.122","","","","","","1.015","","","","has coordinates","253075","2020-10-21","18:00:00",""
"1558284","24.4252","0.0001","10.9277","0.0001","40.2845","0.0002","90","","107.399","0.001","90","","10260.4","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H144 K4 Si8 Th2 -","- C99 H144 K4 Si8 Th2 -","- C396 H576 K16 Si32 Th8 -","4","1","","Boronski, Josef; Wooles, Ashley; Liddle, Stephen","Heteroleptic Actinocenes: A Thorium(IV)-Cyclobutadienyl-Cyclooctatetraenyl-Di-Potassium-Cyclooctatetraenyl Complex","Chemical Science","2020","","","","","10.1039/D0SC02479A","","x-ray","1.54184","CuKα","","0.0259","0.0251","","","0.0633","0.0637","","","","","","1.069","","","","has coordinates,has disorder","253076","2020-10-21","18:00:00",""
"1558285","12.5498","0.0014","9.3561","0.001","20.332","0.002","90","","93.893","0.002","90","","2381.8","0.4","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H40 N2 O6 -","- C46 H40 N2 O6 -","- C92 H80 N4 O12 -","2","0.5","","Hu, Xiaofan; Mu, Hongliang; Miao, Jie; Lu, Yao; Wang, Xianwei; Meng, Xiangsheng; Wang, Zhen; Yan, Jingling","Synthesis and gas separation performance of intrinsically microporous polyimides derived from sterically hindered binaphthalenetetracarboxylic dianhydride","Polymer Chemistry","2020","11","25","4172","4179","10.1039/D0PY00594K","","","0.71073","MoKα","","0.0801","0.054","","","0.148","0.1669","","","","","","1.028","","","","has coordinates","257942","2020-10-21","18:00:00",""
"1558288","9.1596","0.0009","9.9432","0.0009","17.9178","0.0016","90","","90","","90","","1631.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from <i>Alternaria brassicicola</i>.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.032","0.0319","","","0.1016","0.1019","","","","","","0.955","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558289","10.9785","0.0001","7.5525","0.0001","11.4085","0.0001","90","","99.327","0.001","90","","933.431","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from <i>Alternaria brassicicola</i>.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.0324","0.0321","","","0.0858","0.086","","","","","","1.097","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558290","24.6944","0.0013","12.1525","0.0007","24.3587","0.0018","90","","119.085","0.001","90","","6388.2","0.7","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","PrL2","","- C27 H25 F6 N9 O6 P Pr -","- C27 H25 F6 N9 O6 P Pr -","- C216 H200 F48 N72 O48 P8 Pr8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.036","0.0344","","","0.0751","0.0758","","","","","","1.224","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558291","11.2569","0.0006","12.6567","0.0007","13.684","0.0008","63.881","0.001","88.073","0.001","85.069","0.001","1744.04","0.17","90","","90","","","","","","","","","7","P -1","-P 1","2","","PrL3","","- C29 H29 F6 N9 O6 P Pr -","- C29 H29 F6 N9 O6 P Pr -","- C58 H58 F12 N18 O12 P2 Pr2 -","2","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0294","0.0276","","","0.0683","0.0696","","","","","","1.035","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558292","13.2587","0.0014","11.8157","0.0012","20.586","0.002","90","","96.707","0.001","90","","3202.9","0.6","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 F6 N9 O6 P Pr -","- C27 H25 F6 N9 O6 P Pr -","- C108 H100 F24 N36 O24 P4 Pr4 -","4","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0615","0.0571","","","0.1392","0.1416","","","","","","1.077","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558293","8.9374","0.0005","12.2439","0.0006","16.3426","0.0009","110.156","0.001","105.64","","92.586","0.001","1597.71","0.15","90","","90","","","","","","","","","7","P -1","-P 1","2","","PrL","","- C26 H23 F6 N9 O6 P Pr -","- C26 H23 F6 N9 O6 P Pr -","- C52 H46 F12 N18 O12 P2 Pr2 -","2","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0302","0.0295","","","0.0814","0.0819","","","","","","1.075","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558294","13.2647","0.0009","11.7465","0.0008","20.5653","0.0014","90","","96.906","0.001","90","","3181.1","0.4","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Eu F6 N9 O6 P -","- C27 H25 Eu F6 N9 O6 P -","- C108 H100 Eu4 F24 N36 O24 P4 -","4","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0201","0.0192","","","0.0493","0.0497","","","","","","1.052","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558295","16.7522","0.0018","14.5415","0.0015","25.718","0.003","90","","90","","90","","6265","1.2","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Eu F6 N8 O6 P -","- C27 H26 Eu F6 N8 O6 P -","- C216 H208 Eu8 F48 N64 O48 P8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0283","0.0228","","","0.0534","0.0565","","","","","","1.026","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558296","16.9463","0.0003","24.3235","0.0004","17.9675","0.0003","90","","98.7581","0.0015","90","","7319.7","0.2","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 1.3THF","[{(py)U(OH)2U(O2C6H4)(py)}(LA)]","","- C86 H88 N10 O7 U2 -","- C86 H88 N10 O7 U2 -","- C344 H352 N40 O28 U8 -","4","0.5","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0514","0.0336","","","0.057","0.0615","","","","","","1.034","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558297","14.0058","0.0003","21.7361","0.0005","14.7736","0.0003","90","","105.395","0.002","90","","4336.17","0.17","120","0.1","120","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Compound 6.solvent","[{(py)U(Cl)2U(O2C6H4)(py)}(LA)]","","- C74 H62 Cl2 N10 O2 U2 -","- C74 H62 Cl2 N10 O2 U2 -","- C148 H124 Cl4 N20 O4 U4 -","2","0.5","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0632","0.0382","","","0.0746","0.0814","","","","","","1.022","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558298","12.2163","0.0005","13.1548","0.0005","21.1659","0.001","77.753","0.004","76.263","0.004","72.589","0.004","3116","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Compound 8.solvent","[{(py)ClUOUCl(py)}(LA)]","","- C68 H58 Cl2 N10 O U2 -","- C68 H58 Cl2 N10 O U2 -","- C136 H116 Cl4 N20 O2 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0858","0.059","","","0.1139","0.1241","","","","","","1.054","","","","has coordinates","253137","2020-10-21","18:00:00",""
"1558299","14.6146","0.0003","16.3896","0.0004","18.1536","0.0004","77.518","0.002","78.699","0.002","82.007","0.002","4141.91","0.17","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","Compound 5A.3dme","[{(py)U(u-F)(u-OBcat)U(u-O2C6H4)(py)}(LA)]","","- C92 H96 B F N10 O11 U2 -","- C92 H96 B F N10 O11 U2 -","- C184 H192 B2 F2 N20 O22 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0701","0.0407","","","0.0746","0.0838","","","","","","1.045","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558300","10.6363","0.0006","14.9997","0.0008","21.8493","0.0012","90.546","0.004","102.195","0.005","94.113","0.005","3397.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 2.C6H6","[{(py)U(OMe)1.69(OH)0.31U(O2C6H4)(py)}(LA)]","","- C81.69 H73.06 N10 O4 U2 -","- C81.687 H73.061 N10 O4 U2 -","- C163.374 H146.122 N20 O8 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0856","0.052","","","0.0629","0.07","","","","","","1.019","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558301","13.7332","0.0002","17.5327","0.0003","18.0598","0.0003","77.619","0.001","85.469","0.001","88.925","0.001","4234.03","0.12","120","1","120","1","","","","","","","","6","P -1","-P 1","2","Compound 3.5py","[{(py)U(S2)U(O2C6H4)(py)}(LA)]","","- C99 H88 N15 O2 S2 U2 -","- C99 H88 N15 O2 S2 U2 -","- C198 H176 N30 O4 S4 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0861","0.0385","","","0.0481","0.0511","","","","","","0.765","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558302","10.9153","0.0002","19.1212","0.0004","34.2194","0.0006","90","","92.935","0.002","90","","7132.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 4.2CH2Cl2","[{(py)U(u-Se2)U(u-O2C6H4)(py)}(LA)]","","- C76 H66 Cl4 N10 O2 Se2 U2 -","- C76 H66 Cl4 N10 O2 Se2 U2 -","- C304 H264 Cl16 N40 O8 Se8 U8 -","4","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0559","0.0424","","","0.0749","0.0787","","","","","","1.064","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558303","17.5381","0.0004","26.228","0.0006","17.8435","0.0004","90","","91.942","0.002","90","","8203.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound 5.4py","[{(py)U(u-F)2U(u-O2C6H4)(py)}(LA)]","","- C94 H82 F2 N14 O2 U2 -","- C94 H82 F2 N14 O2 U2 -","- C376 H328 F8 N56 O8 U8 -","4","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0758","0.0449","","","0.0707","0.0784","","","","","","1.011","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558304","24.325","0.0009","9.9336","0.0004","28.2901","0.0012","90","","104.953","0.0014","90","","6604.4","0.5","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","JL-376-1_250K","","","- C36 H29 B F2 N2 O0.5 -","- C36 H29 B F2 N2 O0.5 -","- C288 H232 B8 F16 N16 O4 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.139","0.0746","","","0.2262","0.2774","","","","","","1.051","","","","has coordinates,has disorder","258779","2020-11-06","11:30:40",""
"1558305","11.6062","0.0005","32.6033","0.001","7.6374","0.0003","90","","108.632","0.002","90","","2738.53","0.18","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-21_250K","","","- C34 H25 B F2 N2 -","- C34 H25 B F2 N2 -","- C136 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.091","0.0497","","","0.1316","0.1607","","","","","","1.099","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558306","12.5426","0.0005","41.2031","0.0015","13.9741","0.0005","90","","115.881","0.001","90","","6497.4","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376_1_250K","","","- C44 H33 B F2 N2 -","- C44 H33 B F2 N2 -","- C352 H264 B8 F16 N16 -","8","2","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0862","0.0466","","","0.1442","0.1878","","","","","","1.039","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558307","20.361","0.006","16.095","0.005","23.355","0.007","90","","114.048","0.007","90","","6989","4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JL364-68.MOR_200K","","","- C48 H38 N2 O2 -","- C48 H38 N2 O2 -","- C384 H304 N16 O16 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.2306","0.0729","","","0.1629","0.2629","","","","","","1.003","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558308","10.1937","0.0006","11.001","0.0006","14.28","0.0007","105.446","0.003","103.611","0.003","94.765","0.003","1481.92","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-11","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C72 H58 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1582","0.0561","","","0.1473","0.2279","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558309","14.395","0.004","14.038","0.003","18.526","0.005","90","","108.639","0.011","90","","3547.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JL376-5_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C144 H116 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1716","0.0962","","","0.2819","0.3532","","","","","","1.03","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558310","7.916","0.0014","10.089","0.002","15.968","0.003","79.032","0.011","88.721","0.01","85.253","0.01","1247.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-21DEHIDRO","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C62 H50 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0602","0.044","","","0.1348","0.1632","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558311","16.0345","0.0007","8.5128","0.0004","17.8694","0.0007","90","","93.426","0.002","90","","2434.79","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-22DEH_200K","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C124 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0464","0.0369","","","0.0984","0.1078","","","","","","1.052","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558312","21.0905","0.0005","18.983","0.0006","8.7486","0.0003","90","","90","","90","","3502.6","0.18","250","2","250","2","","","","","","","","5","P n m a","-P 2ac 2n","62","JL376-26_250K","","","- C46 H33 B F2 N2 -","- C46 H33 B F2 N2 -","- C184 H132 B4 F8 N8 -","4","0.5","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0808","0.0421","","","0.1233","0.178","","","","","","1.056","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558313","17.6517","0.0004","17.6517","0.0004","36.5175","0.001","90","","90","","90","","11378.2","0.5","250","2","250","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","JL376-17_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C576 H464 B16 F32 N32 -","16","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0632","0.0378","","","0.0988","0.1486","","","","","","1.01","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558314","7.4833","0.0005","14.4445","0.001","19.1563","0.001","111.599","0.003","95.542","0.003","94.737","0.003","1900.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","JL363-68_200K","","","- C48 H37 B F2 N2 O2 -","- C48 H37 B F2 N2 O2 -","- C96 H74 B2 F4 N4 O4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1122","0.0528","","","0.1404","0.1859","","","","","","1.064","","","","has coordinates,has disorder","258779","2020-11-06","11:30:41",""
"1558315","6.241","0.005","5.293","0.004","15.726","0.009","90","","101.19","0.02","90","","509.6","0.6","293","2","293.63","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C18 H24 N4 O10 -","2","1","","Singh, Pijush; Misra, Souvik; Sepay, Nayim; Mondal, Sanjoy; Ray, Debes; Aswal, Vinod K.; Nanda, Jayanta","Self-assembling behaviour of a modified aromatic amino acid in competitive medium.","Soft matter","2020","16","28","6599","6607","10.1039/d0sm00584c","","","0.71073","MoKα","","0.0794","0.0772","","","0.1973","0.201","","","","","","1.071","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558316","7.7611","0.0004","7.2894","0.0004","24.0331","0.0013","90","","93.5573","0.0012","90","","1357.02","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1 JSloop","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","BT4094","Encarnacion-Thomas, Elvia; Sommer, Roger D.; Mallia, Ajay; Sloop, Joseph","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","IUCrData","2020","5","6","x200759","","10.1107/S2414314620007592","","","0.71073","MoKα","","0.0612","0.0437","","","0.1136","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","253149","2020-10-21","18:00:00",""
"1558317","6.12766","0.00015","20.247","0.0005","10.0261","0.0002","90","","94.623","0.002","90","","1239.86","0.05","103.1","","103.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 F8 N4 O5 S -","- C20 H20 F8 N4 O5 S -","- C40 H40 F16 N8 O10 S2 -","2","1","","Zhang, Chen; Ye, Fei; Wang, Jianmin; He, Ping; Lei, Ming; Huang, Longbin; Huang, Anbang; Tang, Pingming; Lin, Hongjun; Liao, Yuting; Liang, Yong; Ni, Jia; Yan, Pangke","Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00374","","","1.5418","CuKα","","0.0377","0.0364","","","0.0942","0.0959","","","","","","1.036","","","","has coordinates","253154","2020-10-21","18:00:00",""
"1558318","18.754","0.0002","9.0751","0.0001","26.1928","0.0003","90","","102.75","0.001","90","","4347.95","0.08","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C176 H216 N8 O56 -","8","4","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0599","0.0563","","","0.1695","0.1765","","","","","","1.027","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558319","5.8085","0.0003","7.3835","0.0004","33.4086","0.0017","90","","90","","90","","1432.8","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0312","0.0307","","","0.0828","0.0832","","","","","","1.069","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558320","10.1578","0.0019","11.4859","0.0018","14.985","0.003","90","","106.365","0.017","90","","1677.5","0.5","300","2","300.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","sql-1,3-Co-NCS","","","- C24 H16 Co N10 S2 -","- C24 H16 Co N10 S2 -","- C48 H32 Co2 N20 S4 -","2","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.2123","0.1287","","","0.3214","0.3547","","","","","","1.071","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558321","13.6994","0.0005","20.4799","0.0007","21.1055","0.0007","78.892","0.002","73.265","0.002","79.327","0.002","5511.1","0.3","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Co2 N28 S4 -","- C84 H72 Co2 N28 S4 -","- C168 H144 Co4 N56 S8 -","2","1","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.2223","0.1356","","","0.3066","0.3684","","","","","","1.039","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558322","24.756","0.002","11.4713","0.0009","14.4235","0.0013","90","","100.226","0.004","90","","4031","0.6","298","2","298.32","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sql-1,3-Co-NCS.2MX","","","- C40 H36 Co N10 S2 -","- C40 H36 Co N10 S2 -","- C160 H144 Co4 N40 S8 -","4","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0678","0.0557","","","0.1084","0.1118","","","","","","1.188","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558323","21.7573","0.0004","21.7573","0.0004","20.5483","0.0005","90","","90","","90","","9727.2","0.3","150","2","150.15","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C42 H36 Co N14 S2 -","- C42 H36 Co N14 S2 -","- C336 H288 Co8 N112 S16 -","8","1","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.1583","0.1192","","","0.2673","0.2908","","","","","","1.066","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558324","20.881","0.0011","14.7201","0.0009","8.7578","0.0005","90","","90","","90","","2691.9","0.3","300","2","300.13","","","","","","","","","5","C m c e","-C 2ac 2","64","sql-3-Co-NCS","","","- C26 H16 Co N14 S2 -","- C26 H16 Co N14 S2 -","- C104 H64 Co4 N56 S8 -","4","0.25","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0788","0.0519","","","0.1278","0.1458","","","","","","1.069","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558325","24.8225","0.0012","11.4779","0.0005","14.301","0.0007","90","","100.423","0.003","90","","4007.3","0.3","301","2","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sql-1,3-Co-NCS.2PX","","","- C40 H36 Co N10 S2 -","- C40 H36 Co N10 S2 -","- C160 H144 Co4 N40 S8 -","4","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0819","0.0562","","","0.1318","0.1458","","","","","","1.038","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558326","10.1782","0.0006","10.3488","0.0005","16.3633","0.0011","82.027","0.003","74.303","0.004","82.556","0.003","1635.59","0.17","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H55 Ir N2 P2 -","- C32 H55 Ir N2 P2 -","- C64 H110 Ir2 N4 P4 -","2","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0671","0.0484","","","0.0989","0.1081","","","","","","0.988","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558327","10.1805","0.0007","22.3462","0.0015","31.76","0.002","90","","90","","90","","7225.3","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Ir N2 P2 -","- C38 H55 Ir N2 P2 -","- C304 H440 Ir8 N16 P16 -","8","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0534","0.0335","","","0.0609","0.068","","","","","","1.076","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558328","21.561","0.003","35.637","0.005","11.1216","0.0017","90","","90","","90","","8545","2","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","catena-poly[aqua(mu-4,4'-bipyridine)(mu-acetato)(uracil-1-acetato)copper(II)] trihydrate","","- C18 H22 Cu N4 O9 -","- C18 H22 Cu N4 O9 -","- C288 H352 Cu16 N64 O144 -","16","1","","Vegas, V. G.; Beobide, G.; Castillo, O.; Reyes, E.; Gómez-García, C J; Zamora, F.; Amo-Ochoa, P","A bioinspired metal-organic approach to cross-linked functional 3D nanofibrous hydro- and aero-gels with effective mixture separation of nucleobases by molecular recognition.","Nanoscale","2020","12","27","14699","14707","10.1039/d0nr04166a","","","0.71073","MoKα","","0.1089","0.057","","","0.1185","0.1395","","","","","","1.034","","","","has coordinates","255031","2020-10-21","18:00:00",""
"1558329","5.5734","0.0004","9.2537","0.0009","14.2547","0.0012","91.995","0.007","99.103","0.006","95.567","0.007","721.56","0.11","296","1","296","1","","","","","","","","5","P 1","P 1","1","","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","1","1","BX4018","Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","IUCrData","2020","5","6","x200788","","10.1107/S2414314620007889","","x-ray","0.56083","AgKα","","0.0606","0.0476","","","0.1275","0.1344","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","253204","2020-10-21","18:00:00",""
"1558330","9.9641","0.0009","10.2338","0.0009","23.541","0.002","90","","100.086","0.002","90","","2363.4","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-{4,6-dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","1","HB4350","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-3-{4,6-Dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","6","x200792","","10.1107/S2414314620007920","","","0.71073","MoKα","","0.1078","0.0458","","","0.0887","0.1121","","","","","","0.883","","","","has coordinates,has Fobs","253205","2020-10-21","18:00:00",""
"1558331","10.90373","0.00013","9.73486","0.00011","14.2878","0.0002","90","","102.003","0.0013","90","","1483.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O6 -","- C31 H48 O6 -","- C62 H96 O12 -","2","1","","Xie, Shuangshuang; Tan, Xiaosheng; Liu, Yaping; Duan, Yulin; Chen, Gang; Feng, Hao; Sun, Lingjuan; Huang, Yingying; Guo, Yi; Shi, Zhengyi; Zhou, Yuan; Qi, Changxing; Zhang, Yonghui","Hypersonins A-D, Polycyclic Polyprenylated Acylphloroglucinols with a 1,2-<i>seco</i>-Homoadamantane Architecture from <i>Hypericum wilsonii</i>.","Journal of natural products","2020","83","6","1804","1809","10.1021/acs.jnatprod.9b01187","","x-ray","1.54184","CuKα","","0.0275","0.0274","","","0.0722","0.0723","","","","","","1.046","","","","has coordinates","253730","2020-10-21","18:00:00",""
"1558332","9.7982","0.0002","9.859","0.0002","11.1142","0.0003","115.511","0.001","101.209","0.0016","106.861","0.0011","861.61","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O S2 -","- C20 H16 N2 O S2 -","- C40 H32 N4 O2 S4 -","2","1","","Sinclair, Geoffrey S.; Kukor, Andrew J.; Imperial, Kevin Karl G.; Schipper, Derek J.","Transition-Metal-Free ipso-Arylative Condensation","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00726","","","0.71073","MoKα","","0.0951","0.0588","","","0.1267","0.1349","","","","","","1.354","","","","has coordinates","253220","2020-10-21","18:00:00",""
"1558333","11.1116","0.0016","22.132","0.003","16.382","0.002","90","","105.947","0.005","90","","3873.7","0.9","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 B N8 O3 Zn -","- C42 H40 B N8 O3 Zn -","- C168 H160 B4 N32 O12 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0836","0.0543","","","0.1275","0.1428","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558334","19.2031","0.0017","17.4413","0.0016","10.8662","0.001","90","","103.602","0.003","90","","3537.3","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B N10 O2 Zn -","- C39 H33 B N10 O2 Zn -","- C156 H132 B4 N40 O8 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0622","0.0421","","","0.0958","0.1038","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558335","11.951","0.007","12.222","0.007","33.4","0.02","96.044","0.011","90.661","0.01","117.154","0.013","4307","4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45 B N9 O2 Zn -","- C48 H45 B N9 O2 Zn -","- C192 H180 B4 N36 O8 Zn4 -","4","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.1049","0.0568","","","0.0986","0.1126","","","","","","1.026","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558336","22.1038","0.0007","18.2437","0.0006","20.8443","0.0007","90","","110.728","0.001","90","","7861.5","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H39 B N10 O3.5 Zn -","- C40.5 H39 B N10 O3.5 Zn -","- C324 H312 B8 N80 O28 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0881","0.0512","","","0.1021","0.1147","","","","","","1.022","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558337","11.652","0.004","12.368","0.004","13.917","0.004","92.104","0.006","105.552","0.004","103.261","0.009","1870.3","1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 B N9 O3 Zn -","- C40 H40 B N9 O3 Zn -","- C80 H80 B2 N18 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0379","0.0306","","","0.0722","0.0762","","","","","","1.046","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558338","21.265","0.002","12.2666","0.0012","26.802","0.003","90","","96.968","0.002","90","","6939.6","1.2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 B N12 O0.5 Zn -","- C38 H34 B N12 O0.5 Zn -","- C304 H272 B8 N96 O4 Zn8 -","8","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0629","0.0413","","","0.0827","0.0902","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558339","11.5454","0.0006","12.4466","0.0006","13.3968","0.0007","87.861","0.001","72.845","0.001","88.996","0.001","1838.16","0.16","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H38 B N9 O3 Zn -","- C39 H38 B N9 O3 Zn -","- C78 H76 B2 N18 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0455","0.0335","","","0.0711","0.0749","","","","","","1.062","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558340","11.7557","0.001","13.389","0.0016","16.6386","0.0011","67.385","0.004","74.545","0.002","89.452","0.004","2317.3","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H48 B N8 O2 Zn -","- C53 H48 B N8 O2 Zn -","- C106 H96 B2 N16 O4 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.036","0.0326","","","0.0869","0.0896","","","","","","1.055","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558341","14.29","0.003","16.009","0.004","20.236","0.005","111.296","0.006","101.338","0.004","94.752","0.004","4168.4","1.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H81 B2 N24 Zn2 -","- C91 H81 B2 N24 Zn2 -","- C182 H162 B4 N48 Zn4 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.043","0.0341","","","0.084","0.0896","","","","","","1.04","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558342","11.7747","0.0006","12.2627","0.0006","16.6658","0.0008","88.998","0.002","71.411","0.001","63.502","0.001","2019.03","0.17","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H41 B N8 O2 S Zn -","- C45 H41 B N8 O2 S Zn -","- C90 H82 B2 N16 O4 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0409","0.0313","","","0.0704","0.0742","","","","","","1.048","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558343","11.3437","0.0006","12.4724","0.0006","13.2663","0.0007","93.307","0.002","106.813","0.002","102.442","0.002","1740.01","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 B N9 O2 S Zn -","- C39 H32 B N9 O2 S Zn -","- C78 H64 B2 N18 O4 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0474","0.0337","","","0.07","0.0749","","","","","","1.015","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558344","11.767","0.003","13.044","0.003","14.552","0.004","110.451","0.004","94.891","0.005","107.004","0.004","1957","0.9","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 B N8 O3 S Zn -","- C39 H37 B N8 O3 S Zn -","- C78 H74 B2 N16 O6 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0868","0.0585","","","0.1461","0.1613","","","","","","1.033","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558345","11.3854","0.0009","12.2324","0.0009","12.9278","0.0011","95.296","0.002","103.872","0.002","100.76","0.002","1699.4","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B N11 S Zn -","- C38 H32 B N11 S Zn -","- C76 H64 B2 N22 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0681","0.0423","","","0.09","0.1013","","","","","","0.912","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558346","11.4626","0.0011","24.908","0.003","14.0421","0.0015","90","","92.074","0.004","90","","4006.5","0.8","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 B N11 S Zn -","- C44 H38 B N11 S Zn -","- C176 H152 B4 N44 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0549","0.0363","","","0.0743","0.0807","","","","","","1.019","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558347","13.2942","0.0013","16.9309","0.0019","18.117","0.002","90","","90.612","0.004","90","","4077.6","0.8","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 B N8 O2 S Zn -","- C45 H41 B N8 O2 S Zn -","- C180 H164 B4 N32 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0491","0.0332","","","0.0703","0.0764","","","","","","1.016","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558348","25.354","0.004","12.7294","0.0011","21.364","0.003","90","","99.223","0.005","90","","6805.9","1.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B N7 O2 S Zn -","- C38 H32 B N7 O2 S Zn -","- C304 H256 B8 N56 O16 S8 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0778","0.0404","","","0.0797","0.0914","","","","","","1.017","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558349","11.5071","0.0009","24.8201","0.0016","14.2983","0.001","90","","93.957","0.002","90","","4074","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B N9 O2 S Zn -","- C45 H38 B N9 O2 S Zn -","- C180 H152 B4 N36 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0381","0.0286","","","0.0637","0.0682","","","","","","1.029","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558350","11.529","0.003","12.532","0.003","13.17","0.003","92.476","0.009","108.327","0.009","103.041","0.008","1746.3","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B N9 O3 Zn -","- C39 H32 B N9 O2.963 Zn -","- C78 H64 B2 N18 O5.926 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0607","0.041","","","0.0784","0.0859","","","","","","1.016","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558351","18.2805","0.0012","24.6819","0.0016","17.9965","0.0011","90","","103.043","0.001","90","","7910.5","0.9","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 B N8 O2 S Zn -","- C44 H39 B N8 O2 S Zn -","- C352 H312 B8 N64 O16 S8 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0583","0.0386","","","0.0904","0.0988","","","","","","1.026","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558352","11.466","0.0005","12.2164","0.0005","12.9213","0.0005","95.393","0.001","104.423","0.001","100.415","0.001","1705.55","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B N11 O Zn -","- C38 H32 B N11 O Zn -","- C76 H64 B2 N22 O2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0362","0.0294","","","0.0704","0.0735","","","","","","1.044","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558353","11.8071","0.0005","20.2004","0.001","14.5401","0.0011","90","","95.99","0.002","90","","3449","0.3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B N7 O2 S Zn -","- C38 H32 B N7 O2 S Zn -","- C152 H128 B4 N28 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.028","0.0259","","","0.067","0.0683","","","","","","1.053","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558354","11.7292","0.0011","11.9654","0.0012","16.3974","0.0016","100.704","0.003","96.654","0.003","114.105","0.003","2016.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H41 B N8 O3 Zn -","- C45 H41 B N8 O3 Zn -","- C90 H82 B2 N16 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0334","0.0279","","","0.0701","0.0734","","","","","","0.997","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558355","15.5694","0.0012","14.5978","0.0011","17.7711","0.0014","90","","106.12","0.002","90","","3880.2","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H41 B N7 O3 Zn -","- C43.5 H41 B N7 O3 Zn -","- C174 H164 B4 N28 O12 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.057","0.0365","","","0.0832","0.0941","","","","","","1.007","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558356","11.902","0.002","13.512","0.003","15.071","0.002","65.558","0.005","87.822","0.005","87.374","0.008","2203.7","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 B N9 O2 Zn -","- C50 H46 B N9 O2 Zn -","- C100 H92 B2 N18 O4 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0622","0.0404","","","0.0839","0.0926","","","","","","1.033","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558357","11.93","0.002","13.078","0.002","14.235","0.003","107.583","0.006","93.055","0.006","106.031","0.006","2012.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H35 B N8 O4 Zn -","- C38 H34.98 B N8 O4 Zn -","- C76 H69.96 B2 N16 O8 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0474","0.0334","","","0.0731","0.0778","","","","","","1.037","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558358","14.5133","0.0007","16.3538","0.0007","22.1946","0.0008","87.79","0.003","79.14","0.004","67.556","0.005","4778.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H150 N12 O4 S4 -","- C98 H150 N12 O4 S4 -","- C196 H300 N24 O8 S8 -","2","1","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","1.54184","CuKα","","0.1645","0.0868","","","0.2423","0.3401","","","","","","1.139","","","","has coordinates","253259","2020-10-21","18:00:00",""
"1558359","32.333","0.008","32.042","0.008","22.621","0.005","90","","114.382","0.004","90","","21346","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C206 H324 N24 O10 S10 -","- C202 H312 N24 O8 S8 -","- C808 H1248 N96 O32 S32 -","4","0.5","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","0.71073","MoKα","","0.384","0.1359","","","0.3209","0.4589","","","","","","0.953","","","","has coordinates,has disorder","253259","2020-10-21","18:00:00",""
"1558360","15.483","0.004","22.547","0.006","30.092","0.007","100.331","0.005","91.268","0.005","100.461","0.006","10147","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C195 H307 N24 O12 S10.5 -","- C195 H304 N24 O10.5 S10.5 -","- C390 H608 N48 O21 S21 -","2","1","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","0.71073","MoKα","","0.3255","0.1516","","","0.3601","0.4546","","","","","","1.162","","","","has coordinates,has disorder","253259","2020-10-21","18:00:00",""
"1558364","12.0597","0.0002","12.1028","0.0003","16.2479","0.0005","98.045","0.001","99.315","0.001","111.182","0.002","2130.75","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H52 B F10 Li N P -","- C43 H52 B F10 Li N P -","- C86 H104 B2 F20 Li2 N2 P2 -","2","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0994","0.073","","","0.1348","0.1524","","","","","","1.094","","","","has coordinates,has disorder","253281","2020-10-21","18:00:00",""
"1558365","11.386","0.0004","24.4438","0.0008","12.1411","0.0004","90","","95.579","0.001","90","","3363.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B F10 P Rh -","- C39 H33 B F10 P Rh -","- C156 H132 B4 F40 P4 Rh4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0483","0.0322","","","0.0642","0.0688","","","","","","1.05","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558366","12.4065","0.0002","20.2711","0.0004","18.1486","0.0004","90","","95.676","0.001","90","","4541.88","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 B F10 Li N P -","- C48 H52 B F10 Li N P -","- C192 H208 B4 F40 Li4 N4 P4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0635","0.0505","","","0.1267","0.1377","","","","","","1.043","","","","has coordinates,has disorder","253281","2020-10-21","18:00:00",""
"1558367","11.1535","0.0006","28.4831","0.0016","12.0712","0.0006","90","","100.231","0.002","90","","3773.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B F10 O2 P Rh -","- C39 H37 B F10 O2 P Rh -","- C156 H148 B4 F40 O8 P4 Rh4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0724","0.0482","","","0.1094","0.124","","","","","","1.022","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558368","10.4373","0.0003","11.5018","0.0003","20.052","0.0006","101.416","0.002","99.845","0.002","98.08","0.002","2286.61","0.12","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H27 B2 F20 P -","- C44 H27 B2 F20 P -","- C88 H54 B4 F40 P2 -","2","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","1.54178","CuKα","","0.061","0.0465","","","0.1086","0.1157","","","","","","1.022","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558369","11.0013","0.0005","13.0591","0.0005","28.8517","0.0013","102.805","0.001","92.594","0.002","105.065","0.001","3879.7","0.3","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 B F10 Ir P -","- C40 H37 B F10 Ir P -","- C160 H148 B4 F40 Ir4 P4 -","4","2","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0464","0.0333","","","0.0685","0.0726","","","","","","1.038","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558370","18.504","0.0003","17.9348","0.0003","19.6933","0.0007","90","","108.694","0.002","90","","6190.7","0.3","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H28 B2 Br2 N2 -","- C36 H28 B2 Br2 N2 -","- C288 H224 B16 Br16 N16 -","8","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54178","CuKα","","0.0871","0.073","","","0.2095","0.2527","","","","","","1.208","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558371","32.9585","0.0003","32.9585","0.0003","9.9663","0.0002","90","","90","","120","","9375.6","0.2","173","2","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H60 B2 Br2 N2 -","- C36 H60 B2 Br2 N2 -","- C324 H540 B18 Br18 N18 -","9","0.5","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","","1.54184","CuKα","","0.0604","0.0559","","","0.1635","0.1691","","","","","","1.051","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558372","13.4204","0.0006","13.4075","0.0004","13.5682","0.0005","90","","118.076","0.005","90","","2154.09","0.17","173","2","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 B Br N -","- C24 H26 B Br N -","- C96 H104 B4 Br4 N4 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0534","0.0403","","","0.1001","0.1161","","","","","","1.044","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558373","11.7577","0.0004","13.9324","0.0004","18.6526","0.0005","102.637","0.002","99.834","0.002","105.896","0.003","2779.5","0.16","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C57.5 H90 B2 N4 -","- C57.5 H90 B2 N4 -","- C115 H180 B4 N8 -","2","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0845","0.0595","","","0.1426","0.1519","","","","","","1.041","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558374","11.75034","0.00011","23.8044","0.0003","19.95734","0.00018","90","","98.1553","0.0009","90","","5525.81","0.1","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H78 B2 N4 -","- C66 H78 B2 N4 -","- C264 H312 B8 N16 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0568","0.044","","","0.1119","0.1211","","","","","","1.019","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558375","11.2493","0.0003","26.0979","0.0007","13.6593","0.0004","90","","109.818","0.003","90","","3772.64","0.19","172.98","0.1","172.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H46 B2 N4 -","- C47 H46 B2 N4 -","- C188 H184 B8 N16 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","0.71","MoKα","","0.0681","0.0451","","","0.1068","0.1224","","","","","","1.026","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558376","9.0716","0.001","9.8412","0.0013","11.5149","0.0012","76.803","0.01","82.173","0.009","68.411","0.011","929.1","0.2","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 B2 N2 O4 -","- C38 H58 B2 N2 O4 -","- C38 H58 B2 N2 O4 -","1","0.5","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.1119","0.0803","","","0.1902","0.2121","","","","","","1.079","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558377","11.4985","0.0003","13.7129","0.0005","24.4365","0.0007","90","","90","","90","","3853.1","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 O4 Si -","- C41 H56 O4 Si -","- C164 H224 O16 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0839","0.0484","","","0.0855","0.0967","","","","","","0.961","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558378","10.7809","0.0007","12.9537","0.001","23.2649","0.0018","90","","90","","90","","3249","0.4","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 O3 Si -","- C36 H47 O3 Si -","- C144 H188 O12 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0929","0.0681","","","0.1419","0.1623","","","","","","1.016","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558379","7.2747","0.0005","10.4927","0.0008","16.356","0.0012","97.735","0.002","102.84","0.002","102.607","0.002","1165.71","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[aqua(2,2'-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","1","0.5","HB4348","Srinivasan, Bikshandarkoil R.; Harmalkar, Sarvesh S.; D'Souza, Luann R.; Dhuri, Sunder N.","Di-μ-aqua-bis[aqua(2,2′-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","IUCrData","2020","5","6","","","10.1107/S2414314620007968","","","0.71073","MoKα","","0.0289","0.0251","","","0.0614","0.0637","","","","","","1.052","","","","has coordinates,has Fobs","253294","2020-10-21","18:00:00",""
"1558383","12.3819","0.0014","12.8413","0.0014","14.0834","0.0016","86.212","0.004","84.496","0.004","72.066","0.003","2119.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O2 S -","- C27 H20 N2 O2 S -","- C108 H80 N8 O8 S4 -","4","2","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1238","0.092","","","0.2942","0.3128","","","","","","1.086","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558384","27.169","0.005","7.8353","0.0014","19.215","0.003","90","","90","","90","","4090.4","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C216 H160 N16 O24 -","8","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.0897","0.0749","","","0.1766","0.1863","","","","","","1.079","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558385","28.102","0.011","8.21","0.003","19.944","0.008","90","","115.706","0.011","90","","4146","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1938","0.0848","","","0.1647","0.2073","","","","","","1.046","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558386","12.063","0.002","27.127","0.005","8.2526","0.0014","90","","129.29","0.006","90","","2090.1","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1045","0.0735","","","0.2065","0.2338","","","","","","1.061","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558387","7.8985","0.0007","11.3746","0.0011","13.1673","0.0013","79.62","0.005","73.19","0.005","70.55","0.005","1063.19","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1037","0.0864","","","0.254","0.2757","","","","","","1.09","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558388","9.5765","0.0002","12.9092","0.0003","21.0501","0.0005","90","","100.084","0.002","90","","2562.12","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N2 O3 P Ru -","- C25 H39 N2 O3 P Ru -","- C100 H156 N8 O12 P4 Ru4 -","4","1","","Zou, You-Quan; Zhou, Quan-Quan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of oxalamides by acceptorless dehydrogenative coupling of ethylene glycol and amines and the reverse hydrogenation catalyzed by ruthenium","Chemical Science","2020","","","","","10.1039/D0SC02065F","","","0.71073","MoKα","","0.0435","0.0368","","","0.084","0.0858","","","","","","1.103","","","","has coordinates","253341","2020-10-21","18:00:00",""
"1558389","10.206","0.0004","11.8825","0.0005","12.7337","0.0005","90","","90","","90","","1544.25","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-(2-hydroxy-3-phenoxypropyl)phenyl)acetamide","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Thombal, Raju S.; Feoktistova, Taisiia; González-Montiel, Gisela A.; Cheong, Paul H.-Y.; Lee, Yong Rok","Palladium-catalyzed synthesis of β-hydroxy compounds via a strained 6,4-palladacycle from directed C‒H activation of anilines and C‒O insertion of epoxides","Chemical Science","2020","11","27","7260","7265","10.1039/D0SC01462A","","","0.71073","MoKα","","0.0585","0.0413","","","0.1085","0.1283","","","","","","1.128","","","","has coordinates","257297","2020-10-21","18:00:00",""
"1558390","9.0185","0.0002","11.1498","0.0002","13.696","0.0003","84.062","0.001","89.316","0.001","81.541","0.001","1354.9","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H76 F2 S2 Si2 -","- C60 H76 F2 S2 Si2 -","- C60 H76 F2 S2 Si2 -","1","0.5","","Pace, Natalie; Rugg, Brandon K.; Chang, Christopher H.; Reid, Obadiah; Thorley, Karl J.; Parkin, Sean R.; Anthony, John E.; Johnson, Justin C.","Conversion between Triplet Pair States is Controlled by Molecular Coupling in Pentadithiophene Thin Films","Chemical Science","2020","","","","","10.1039/D0SC02497J","","","1.54178","CuKα","","0.1007","0.0833","","","0.2428","0.2655","","","","","","1.08","","","","has coordinates,has disorder","253343","2020-10-21","18:00:00",""
"1558391","44.36","0.002","8.4599","0.0005","17.8448","0.0008","90","","102.684","0.0017","90","","6533.4","0.6","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H94 S2 Si4 -","- C66 H94 S2 Si4 -","- C264 H376 S8 Si16 -","4","0.5","","Pace, Natalie; Rugg, Brandon K.; Chang, Christopher H.; Reid, Obadiah; Thorley, Karl J.; Parkin, Sean R.; Anthony, John E.; Johnson, Justin C.","Conversion between Triplet Pair States is Controlled by Molecular Coupling in Pentadithiophene Thin Films","Chemical Science","2020","","","","","10.1039/D0SC02497J","","","0.71073","MoKα","","0.1077","0.0551","","","0.1346","0.1518","","","","","","1.049","","","","has coordinates,has disorder","253343","2020-10-21","18:00:00",""
"1558392","8.1025","0.0001","6.6401","0.0001","11.7134","0.0001","90","","102.405","0.001","90","","615.485","0.013","93.15","","93.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0706","0.0709","","","","","","1.07","","","","has coordinates","257298","2020-10-21","18:00:00",""
"1558393","12.4535","0.0002","6.5482","0.0001","15.9054","0.0003","90","","105.099","0.002","90","","1252.28","0.04","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0434","0.0375","","","0.0924","0.0942","","","","","","1.058","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558397","7.5364","0.0003","8.1598","0.0003","14.6308","0.0006","74.8246","0.0015","86.9207","0.0015","83.589","0.0014","862.64","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 F6 I N O3 -","- C17 H10 F6 I N O3 -","- C34 H20 F12 I2 N2 O6 -","2","1","","Ding, Wei; Wang, Chen; Tan, Jie Ren; Ho, Chang Chin; León, Felix; Garcia, Felipe; Yoshikai, Naohiko","Site-selective aromatic C‒H λ3-iodanation with cyclic iodine(III) electrophile in solution and solid phases","Chemical Science","2020","","","","","10.1039/D0SC02737E","","","0.71073","MoKα","","0.0633","0.0439","","","0.0714","0.0791","","","","","","1.05","","","","has coordinates","253384","2020-10-21","18:00:00",""
"1558398","6.0356","0.0004","10.8751","0.0009","10.5262","0.0007","90","","97.925","0.003","90","","684.32","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Inanaga, Kazato; Wollenburg, Marco; Bachman, Shoshana; Hafeman, Nicholas; Stoltz, Brian M.","Catalytic Enantioselective Synthesis of Carbocyclic and Heterocyclic Spiranes via a Decarboxylative Aldol Cyclization","Chemical Science","2020","","","","","10.1039/D0SC02366C","","","1.54178","CuKα","","0.0292","0.0287","","","0.073","0.0736","","","","","","1.085","","","","has coordinates","253385","2020-10-21","18:00:00",""
"1558399","6.8455","0.0009","6.8455","0.0009","21.807","0.005","90","","90","","120","","885","0.3","293","2","293","2","","","","","","","","4","P 65","P 65","170","Y(IO3)2F","Y(IO3)2F","","- F I2 O6 Y -","- F I2 O6 Y -","- F6 I12 O36 Y6 -","6","1","","Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bing-Xuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning","Helix-constructed Polar Rare-earth Iodate Fluoride as Laser Nonlinear Optical Multifunctional Materials","Chemical Science","2020","","","","","10.1039/D0SC02789H","","","0.71073","MoKα","","0.0515","0.0503","","","0.1078","0.1084","","","","","","1.108","","","","has coordinates","253386","2020-10-21","18:00:00",""
"1558400","5.2753","0.0002","8.2287","0.0002","45.0822","0.0011","90","","90","","90","","1956.97","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","0.71073","MoKα","","0.0558","0.0407","","","0.0812","0.0862","","","","","","1.037","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558401","5.3349","0.0002","8.0996","0.0004","58.179","0.002","90","","90","","90","","2513.95","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 N O2 -","- C33 H23 N O2 -","- C132 H92 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","1.54184","CuKα","","0.1384","0.0755","","","0.1678","0.2048","","","","","","0.997","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558402","15.8187","0.0009","32.856","0.002","17.4013","0.0011","90","","93.728","0.002","90","","9025","0.9","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C192 H224 Cl16 I16 Mo12 Na9 O214 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0755","0.0484","","","0.123","0.1423","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558403","23.715","0.002","23.715","0.002","56.802","0.005","90","","90","","90","","31946","5","200","","200","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C144 H168 Br8 Cl6 Mo6 Na4 O138 -","- C144 H168 Br8 Cl6 Mo6 O142 -","- C576 H672 Br32 Cl24 Mo24 O568 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.2301","0.1011","","","0.2643","0.3499","","","","","","0.988","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558404","23.7708","0.0016","23.7708","0.0016","57.456","0.004","90","","90","","90","","32466","4","200","","200","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C144 H168 Cl6 I8 Mo6 O138 -","- C144 H168 Cl6 I8 Mo6 O137 -","- C576 H672 Cl24 I32 Mo24 O548 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1493","0.1108","","","0.2881","0.3443","","","","","","1.065","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558405","19.805","0.002","19.805","","57.843","0.007","90","","90","","120","","19649","3","200","2","200","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C288 H336 Al39 Br24 Cl30 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1333","0.092","","","0.2458","0.2923","","","","","","1.022","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558406","19.751","0.002","19.751","","57.616","0.007","90","","90","","120","","19465","3","200","","200","","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C288 H324 Al39 Cl25.5 I24 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1638","0.1367","","","0.3625","0.4039","","","","","","1.738","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558407","15.8501","0.0017","32.821","0.004","17.405","0.002","90","","93.734","0.004","90","","9035.1","1.8","150","2","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C192 H224 Br16 Cl16 Mo12 Na10 O205 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0713","0.0593","","","0.1701","0.1817","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558414","17.2715","0.0004","17.2715","0.0004","17.2715","0.0004","90","","90","","90","","5152.2","0.2","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-90","","","- C48 H36 N24 O12 Zn6 -","- C48 H36 N24 O12 Zn6 -","- C96 H72 N48 O24 Zn12 -","2","0.0416667","","Mengwen, Li; Ao, Shen; Yueqi, Liang; Hao, Zhen; Xiaohui, Hao; Xueliang, Liu; Xinchao, Sun; Yunxu, Yang","The selective and sensitive detection of formaldehyde by ZIF-90-LWvia aza-Cope rearrangement","Analytical Methods","2020","12","29","3748","3755","10.1039/D0AY00493F","","","","","","0.146","","","","","","","","","","","","","","","has coordinates","287156","2023-10-28","00:00:03",""
"1558415","13.3697","0.0003","13.3697","0.0003","23.8975","0.0008","90","","90","","90","","4271.7","0.2","99.99","0.13","99.99","0.13","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Sn -","- C24 H8 F12 Sn -","- C192 H64 F96 Sn8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0275","0.0247","","","0.0713","0.0731","","","","","","1.109","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558416","14.40851","0.00016","14.40851","0.00016","20.9644","0.0004","90","","90","","90","","4352.32","0.11","100","0.11","100","0.11","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Ge -","- C24 H8 F12 Ge -","- C192 H64 F96 Ge8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.032","0.0274","","","0.0655","0.0676","","","","","","1.085","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558417","7.11145","0.0001","14.5572","0.0002","16.9641","0.0002","98.5536","0.0012","93.9179","0.0011","102.025","0.0012","1689.55","0.04","140.01","0.1","140.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C72 H24 F36 Sb4 -","4","2","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0246","0.02","","","0.0472","0.0495","","","","","","1.031","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558418","5.84981","0.00012","15.5147","0.0004","14.8525","0.0003","90","","90.681","0.002","90","","1347.89","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 O3 -","- C14 H26 O3 -","- C56 H104 O12 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","1.54184","CuKα","","0.035","0.0325","","","0.0797","0.0812","","","","","","1.043","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558419","7.16588","0.00007","14.61823","0.00016","17.01631","0.00016","98.5736","0.0008","94.0812","0.0008","102.497","0.0008","1710.92","0.03","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 Bi F9 -","- C18 H6 Bi F9 -","- C72 H24 Bi4 F36 -","4","2","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0576","0.0314","","","0.0497","0.0535","","","","","","1.051","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558420","10.37807","0.00018","18.8151","0.0003","15.5321","0.0002","90","","103.434","0.0016","90","","2949.88","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H2 Cl6 F15 O2 Sb -","- C25 H2 Cl6 F15 O2 Sb -","- C100 H8 Cl24 F60 O8 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0603","0.0499","","","0.1319","0.1409","","","","","","1.044","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558421","4.6572","0.0001","11.8323","0.0003","15.386","0.0003","102.271","0.002","90.684","0.002","100.761","0.002","812.73","0.03","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C36 H12 F18 Sb2 -","2","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","1.54184","CuKα","","0.0325","0.0308","","","0.0851","0.0857","","","","","","1.184","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558422","5.9325","0.0001","20.3604","0.0002","14.9916","0.0002","90","","92.882","0.001","90","","1808.52","0.04","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 F15 Sb -","- C18 F15 Sb -","- C72 F60 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0257","0.022","","","0.046","0.0475","","","","","","1.126","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558423","10.2444","0.0002","17.0576","0.0003","9.5358","0.0001","90","","90","","90","","1666.33","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C72 H24 F36 Sb4 -","4","0.5","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0212","0.0191","","","0.0486","0.0495","","","","","","1.053","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558424","11.428","0.0002","14.4693","0.0002","17.6698","0.0002","103.096","0.001","97.1","0.001","102.831","0.001","2727.81","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H14 Cl10 F18 O4 Sb2 -","- C49 H14 Cl10 F18 O4 Sb2 -","- C98 H28 Cl20 F36 O8 Sb4 -","2","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0389","0.0305","","","0.0821","0.0856","","","","","","1.06","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558425","9.96666","0.00013","16.7568","0.0002","17.1842","0.0002","90","","102.174","0.0013","90","","2805.38","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 Cl6 F9 O2 Sb -","- C25 H8 Cl6 F9 O2 Sb -","- C100 H32 Cl24 F36 O8 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0302","0.0245","","","0.0553","0.0581","","","","","","1.043","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558426","11.0876","0.0003","20.5912","0.0004","19.1254","0.0004","90","","96.758","0.002","90","","4336.12","0.17","150","","150","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C34 H20 -","- C34 H20 -","- C272 H160 -","8","2","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.0534","0.0505","","","0.1342","0.1392","","","","","","1.023","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558427","7.8468","0.0006","23.408","0.002","11.3681","0.0009","90","","90","","90","","2088.1","0.3","292.2","0.5","292.2","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.092","0.082","","","0.2225","0.23","","","","","","1.144","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558429","8.0375","0.0002","9.3645","0.0002","12.0386","0.0003","92.048","0.002","106.633","0.002","102.379","0.002","843.44","0.04","294.15","","294.15","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H11 Br F2 N4 O S -","- C15 H11 Br F2 N4 O S -","- C30 H22 Br2 F4 N8 O2 S2 -","2","1","","Yu, Bin; Zhou, Shuang; Cao, Lixin; Hao, Zesheng; Yang, Dongyan; Guo, Xiaofeng; Zhang, Nailou; Bakulev, Vasiliy A.; Fan, Zhijin","Design, Synthesis and Evaluation of Antifungal Activity of Novel Pyrazole-thiazole Carboxamides as Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00062","","x-ray","0.71073","MoKα","","0.053","0.0385","","","0.0946","0.1018","","","","","","1.038","","","","has coordinates,has disorder","253486","2020-10-21","18:00:00",""
"1558430","5.4754","0.0002","15.6795","0.0004","20.1088","0.0005","90","","90","","90","","1726.37","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O8 -","- C17 H21 N O8 -","- C68 H84 N4 O32 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0329","0.0296","","","0.0723","0.0748","","","","","","1.02","","","","has coordinates","253487","2020-10-21","18:00:00",""
"1558431","24.693","0.005","5.0152","0.001","24.78","0.005","90","","101.05","0.004","90","","3011.9","1.1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C128 H168 N8 O40 -","8","2","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.2375","0.1008","","","0.141","0.1777","","","","","","1.05","","","","has coordinates","253488","2020-10-21","18:00:00",""
"1558432","5.666","0.0003","9.3371","0.0007","12.7013","0.0009","90","","93.2","0.003","90","","670.9","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.049","0.0472","","","0.139","0.1404","","","","","","1.173","","","","has coordinates","253489","2020-10-21","18:00:00",""
"1558433","16.8725","0.0006","5.1182","0.0002","17.3866","0.0006","90","","92.854","0.002","90","","1499.59","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17.5 H18 N2 O4 -","- C17.5 H18 N2 O4 -","- C70 H72 N8 O16 -","4","2","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0579","0.0445","","","0.1169","0.1256","","","","","","1.06","","","","has coordinates","253490","2020-10-21","18:00:00",""
"1558434","5.674","0.003","10.99","0.007","26.414","0.016","90","","90","","90","","1647.1","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O7 -","- C16 H23 N O7 -","- C64 H92 N4 O28 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.1702","0.0832","","","0.1605","0.1998","","","","","","1.027","","","","has coordinates","253491","2020-10-21","18:00:00",""
"1558435","25.448","0.004","6.6873","0.0008","11.1323","0.0015","90","","91.972","0.006","90","","1893.4","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H22 N2 O6.5 -","- C19 H22 N2 O6.5 -","- C76 H88 N8 O26 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.09","0.051","","","0.0875","0.102","","","","","","1.09","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558436","8.811","0.003","8.873","0.003","10.494","0.004","90","","106.154","0.011","90","","788","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O6 -","- C16 H20 N O6 -","- C32 H40 N2 O12 -","2","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0836","0.0511","","","0.1068","0.1288","","","","","","1.065","","","","has coordinates","253493","2020-10-21","18:00:00",""
"1558437","5.8686","0.0002","7.4955","0.0003","15.2792","0.0005","102.195","0.002","90.649","0.002","90.454","0.002","656.86","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","VM4044","Arunkumar, Dandavathi; Samshuddin, Seranthimata; Ansar, Mhammed; Mague, Joel T.; Ramli, Youssef","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","IUCrData","2020","5","6","x200800","","10.1107/S2414314620008007","","","1.54178","CuKα","","0.0669","0.0593","","","0.1785","0.188","","","","","","1.085","","","","has coordinates,has Fobs","253516","2020-10-21","18:00:00",""
"1558447","6.9234","0.0002","12.1772","0.0003","41.1985","0.0009","90","","90","","90","","3473.35","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Macropterin A","","","- C40 H56 O5 -","- C40 H56 O5 -","- C160 H224 O20 -","4","1","","Raksat, Achara; Aree, Thammarat; Pudhom, Khanitha","Pterolobirins A and B, Oxygen-Bridged Cassane Diterpenoid Dimers from the Fruits of Pterolobium macropterum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00354","","","1.54178","CuKα","","0.0435","0.0418","","","0.1054","0.1066","","","","","","1.045","","","","has coordinates","253575","2020-10-21","18:00:00",""
"1558448","9.1387","0.001","24.286","0.003","38.773","0.004","90","","90","","90","","8605.4","1.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C400 H440 O120 -","20","5","","Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia","Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00313","","","1.54178","CuKα","","0.06","0.0583","","","0.1399","0.1413","","","","","","1.094","","","","has coordinates,has disorder","253576","2020-10-21","18:00:00",""
"1558449","12.3816","0.0004","7.604","0.0003","21.7468","0.0007","90","","101.769","0.0012","90","","2004.41","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22.61 H25.48 O7 -","- C22.607 H25.476 O7 -","- C90.428 H101.904 O28 -","4","2","","Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia","Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00313","","","1.54178","CuKα","","0.0356","0.0353","","","0.1006","0.101","","","","","","1.047","","","","has coordinates,has disorder","253577","2020-10-21","18:00:00",""
"1558450","22.2838","0.0007","27.0021","0.0009","29.9657","0.0006","87.829","0.002","86.244","0.002","70.024","0.003","16907.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C408 H400 N48 O64 Pd8 -","- C408 H400 N48 O64 Pd8 -","- C408 H400 N48 O64 Pd8 -","1","0.5","","He, Lizhen; Cai, Li-Xuan; Li, Meng-Hua; Zhang, Guanglu; Zhou, Lipeng; Chen, Tianfeng; Lin, Mei-Jin; Sun, Qing-Fu","Designing Highly Stable Coordination-Driven Metallacycle for Imaging-Guided Photodynamic Cancer Theranostics","Chemical Science","2020","","","","","10.1039/D0SC02236E","","","1.54184","CuKα","","0.1726","0.1135","","","0.2907","0.3556","","","","","","0.981","","","","has coordinates","253585","2020-10-21","18:00:00",""
"1558451","7.2134","0.0002","12.0436","0.0003","13.6068","0.0004","113.303","0.003","94.23","0.002","100.284","0.002","1054.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Au Br4 N2 -","- C20 H13 Au Br4 N2 -","- C40 H26 Au2 Br8 N4 -","2","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.0527","0.0408","","","0.1062","0.1132","","","","","","1.035","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558452","6.987","0.005","13.924","0.01","21.312","0.015","85.099","0.015","86.731","0.015","81.161","0.015","2039","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.66 H13.5 Ag B Cl1.5 F4 N2 -","- C20.658 H13.5 Ag B Cl1.5 F4 N2 -","- C82.632 H54 Ag4 B4 Cl6 F16 N8 -","4","2","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","","0.71073","MoKα","","0.1252","0.0832","","","0.1778","0.2086","","","","","","1.042","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558453","6.943","0.0004","14.1421","0.0009","21.3969","0.0014","85.536","0.002","86.97","0.002","78.487","0.002","2050.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.64 H13.44 Au B Cl1.44 F4 N2 -","- C20.6396 H13.44 Au1.00015 B Cl1.44 F4 N2 -","- C82.5584 H53.76 Au4.0006 B4 Cl5.76 F16 N8 -","4","2","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","","0.71073","MoKα","","0.051","0.0342","","","0.0789","0.085","","","","","","1.056","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558454","18.2569","0.0017","25.817","0.002","27.739","0.003","90","","90","","90","","13074","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H36 B F24 N4 Na -","- C72 H36 B F24 N4 Na -","- C576 H288 B8 F192 N32 Na8 -","8","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.145","0.1096","","","0.2315","0.25","","","","","","1.156","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558455","7.0108","0.0004","14.2732","0.0008","21.1647","0.0012","86.903","0.001","87.804","0.001","77.898","0.001","2067","0.2","100","2","99.97","","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H27 B2 Cl3 F8 I2 N4 -","- C41.5004 H27 B2 Cl3 F8 I1.9998 N4 -","- C83.0008 H54 B4 Cl6 F16 I3.9996 N8 -","2","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.056","0.0451","","","0.1165","0.1235","","","","","","1.039","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558456","16.01","0.0014","12.5361","0.0011","16.3086","0.0018","90","","90.041","0.008","90","","3273.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","","- C30 H39 B I3 N2 -","- C30 H39 B I3 N2 -","- C120 H156 B4 I12 N8 -","4","1","HB4351","Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","IUCrData","2020","5","6","x200863","","10.1107/S2414314620008639","","","0.71073","MoKα","","0.1191","0.0944","","","0.2575","0.2669","","","","","","1.134","","","","has coordinates,has Fobs","253607","2020-10-21","18:00:00",""
"1558460","5.90591","0.00005","16.31586","0.00014","19.9754","0.00017","90","","91.6764","0.0007","90","","1924.01","0.03","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14.5 O3.25 -","- C11 H14.5 O3.25 -","- C88 H116 O26 -","8","4","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0273","0.0263","","","0.0649","0.0655","","","","","","1.04","","","","has coordinates","253639","2020-10-21","18:00:00",""
"1558461","6.947","0.0001","7.5101","0.0001","17.0105","0.0003","90","","90","","90","","887.48","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0709","0.0716","","","","","","1.075","","","","has coordinates","253640","2020-10-21","18:00:00",""
"1558462","9.9654","0.0001","9.084","0.0001","10.6678","0.0001","90","","107.529","0.001","90","","920.867","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","2","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0262","0.0255","","","0.0659","0.0667","","","","","","1.041","","","","has coordinates","253641","2020-10-21","18:00:00",""
"1558463","11.3691","0.0001","13.8088","0.0001","12.4633","0.0001","90","","95.417","0.001","90","","1947.92","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 F3 N2 O2 -","- C22 H27 F3 N2 O2 -","- C88 H108 F12 N8 O8 -","4","1","","Jermaks, Janis; Quach, Phong; Seibel, Zara M.; Pomarole, Julien; Lambert, Tristan","Ring-Opening Carbonyl-Olefin Metathesis of Norbornenes","Chemical Science","2020","","","","","10.1039/D0SC02243H","","x-ray","1.54184","CuKα","","0.0396","0.0386","","","0.0988","0.0996","","","","","","1.034","","","","has coordinates","253645","2020-10-21","18:00:00",""
"1558464","5.6436","0.0001","36.318","0.0005","6.6768","0.0001","90","","107.69","0.002","90","","1303.79","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F O2 -","- C16 H14 F O2 -","- C64 H56 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0621","0.06","","","0.1248","0.1258","","","","","","1.046","","","","has coordinates,has disorder","253646","2020-10-21","18:00:00",""
"1558465","11.3547","0.0002","17.4727","0.0004","14.737","0.0002","90","","99.889","0.002","90","","2880.34","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 B N3 O2 P -","- C28 H47 B N3 O2 P -","- C112 H188 B4 N12 O8 P4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0528","0.0466","","","0.1124","0.1165","","","","","","1.012","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558466","23.0271","0.0003","5.7175","0.0001","20.879","0.0004","90","","90","","90","","2748.88","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0596","0.0565","","","0.1278","0.1298","","","","","","1.079","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558467","7.157","0.0002","7.4823","0.0002","11.605","0.0004","90","","90.91","0.003","90","","621.38","0.03","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","0.71073","MoKα","","0.0392","0.0371","","","0.0902","0.0918","","","","","","1.037","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558471","9.6121","0.0006","14.2479","0.0007","14.6368","0.001","107.63","0.003","101.505","0.003","97.424","0.002","1833","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 Cl3 N4 -","- C45 H31 Cl3 N4 -","- C90 H62 Cl6 N8 -","2","1","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.0879","0.0741","","","0.2087","0.2216","","","","","","1.042","","","","has coordinates","253674","2020-10-21","18:00:00",""
"1558472","12.6211","0.0012","13.1779","0.0016","13.5455","0.0018","98.691","0.005","116.169","0.005","92.716","0.003","1982.2","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C100 H88 N12 O4 -","2","1","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.1447","0.0698","","","0.1612","0.1923","","","","","","0.939","","","","has coordinates,has disorder","253675","2020-10-21","18:00:00",""
"1558473","14.3901","0.0005","8.4196","0.0003","15.7484","0.0006","90","","95.333","0.003","90","","1899.8","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N4 -","- C48 H37.48 N4 -","- C96 H74.96 N8 -","2","0.5","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.0989","0.0624","","","0.1622","0.1834","","","","","","0.957","","","","has coordinates,has disorder","253676","2020-10-21","18:00:00",""
"1558474","8.7618","0.0008","13.5724","0.0011","14.6798","0.001","74.067","0.003","85.926","0.002","73.962","0.002","1613.3","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C88 H64 N8 O2 -","2","1","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.1619","0.079","","","0.1505","0.1784","","","","","","1.006","","","","has coordinates,has disorder","253677","2020-10-21","18:00:00",""
"1558475","10.7032","0.0005","6.6627","0.0003","16.9382","0.0008","90","","92.303","0.002","90","","1206.92","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0525","0.0401","","","0.0967","0.1027","","","","","","1.046","","","","has coordinates,has disorder","253683","2020-10-21","18:00:00",""
"1558476","25.6129","0.0011","7.265","0.0003","7.5367","0.0003","90","","90","","90","","1402.41","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0298","0.0278","","","0.0735","0.0748","","","","","","1.032","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558477","7.7842","0.0005","9.7899","0.0006","10.0423","0.0006","81.677","0.002","82.193","0.002","67.584","0.002","697.29","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0645","0.044","","","0.1003","0.1111","","","","","","1.029","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558478","21.357","0.0009","6.819","0.0003","20.0691","0.0008","90","","115.008","0.001","90","","2648.72","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C120 H96 Cl8 N8 O24 -","8","2","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0669","0.0426","","","0.0909","0.1019","","","","","","1.017","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558479","17.4699","0.0012","6.8917","0.0005","22.137","0.002","90","","103.57","0.0016","90","","2590.8","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 Cl N O3 -","- C15 H11 Cl N O3 -","- C120 H88 Cl8 N8 O24 -","8","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0557","0.0524","","","0.1264","0.1277","","","","","","1.301","","","","has coordinates,has disorder","253683","2020-10-21","18:00:00",""
"1558480","9.8726","0.0005","10.9075","0.0005","12.7229","0.0006","90","","90","","90","","1370.07","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C64 H56 Cl4 N4 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0309","0.0272","","","0.0636","0.0655","","","","","","1.029","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558481","16.5707","0.0018","16.9084","0.0019","21.231","0.002","105.174","0.004","96.576","0.004","109.461","0.004","5278.5","1","232","2","232","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H157 Cl Ir N2 Si7 -","- C101 H157 Cl Ir N2 Si7 -","- C202 H314 Cl2 Ir2 N4 Si14 -","2","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0797","0.0491","","","0.1193","0.134","","","","","","1.009","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558482","14.9387","0.0008","17.6518","0.0009","21.0713","0.0011","102.165","0.003","92.721","0.003","108.26","0.003","5119.4","0.5","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H154 Cl N2 O Rh Si7 -","- C105 H154 Cl N2 O Rh Si7 -","- C210 H308 Cl2 N4 O2 Rh2 Si14 -","2","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0847","0.0487","","","0.1049","0.1199","","","","","","1.017","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558483","15.7798","0.0019","26.095","0.003","27.363","0.004","104.327","0.006","106.15","0.006","90.156","0.006","10455","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H157 Cl Ir N2 Si6 Sn -","- C101 H157 Cl Ir N2 Si6 Sn -","- C404 H628 Cl4 Ir4 N8 Si24 Sn4 -","4","2","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.1945","0.1685","","","0.3641","0.3704","","","","","","2.47","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558484","37.608","0.004","13.6961","0.0014","18.1426","0.0019","90","","90","","90","","9344.9","1.7","142","2","142","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C92 H138 Cl N2 O2 Rh Si7 -","- C92 H138 Cl N2 O2 Rh Si7 -","- C368 H552 Cl4 N8 O8 Rh4 Si28 -","4","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0566","0.0408","","","0.076","0.0807","","","","","","1.008","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558485","29.9006","0.0013","22.525","0.0008","32.5302","0.0012","90","","103.5","0.002","90","","21304.1","1.4","202","2","202","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H164 Cl Ge N2 Rh Si6 -","- C104 H164 Cl Ge N2 Rh Si6 -","- C832 H1312 Cl8 Ge8 N16 Rh8 Si48 -","8","2","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.1527","0.0639","","","0.1422","0.1768","","","","","","1.024","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558486","15.7711","0.0004","31.3736","0.0008","21.3327","0.0006","90","","106.081","0.002","90","","10142.3","0.5","152","2","152","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C101 H157 Cl Ge Ir N2 Si6 -","- C101 H157 Cl Ge Ir N2 Si6 -","- C404 H628 Cl4 Ge4 Ir4 N8 Si24 -","4","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0437","0.0332","","","0.0676","0.0711","","","","","","1.144","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558490","26.2086","0.0008","27.5599","0.0008","28.9629","0.0008","90","","90","","90","","20920.1","1.1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C760 H832 B16 Cl16 Co16 F80 O96 P48 -","8","1","","Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias","Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines","Catalysis Science & Technology","2020","10","18","6116","6128","10.1039/D0CY01078B","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1345","","","","","","1.028","","","","has coordinates,has disorder","257217","2020-10-21","18:00:00",""
"1558491","16.0816","0.0008","18.5757","0.001","5.1129","0.0003","90","","90","","90","","1527.36","0.14","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C76 H56 N16 -","4","1","","Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław","Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group","The Journal of Physical Chemistry C","2020","124","25","13845","13857","10.1021/acs.jpcc.0c01054","","","0.71073","MoKα","","0.0724","0.0343","","","0.0498","0.0542","","","","","","1","","","","has coordinates","257156","2020-10-21","18:00:00",""
"1558492","27.9461","0.0011","8.4289","0.0003","13.7881","0.0006","90","","105.092","0.004","90","","3135.8","0.2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C152 H112 N32 -","8","1","","Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław","Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group","The Journal of Physical Chemistry C","2020","124","25","13845","13857","10.1021/acs.jpcc.0c01054","","","0.71073","MoKα","","0.0862","0.0373","","","0.0806","0.0877","","","","","","1.001","","","","has coordinates","257156","2020-10-21","18:00:00",""
"1558493","6.473","0.003","9.639","0.005","8.579","0.004","90","","100.009","0.007","90","","527.1","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F6 H12 Mn O6 Si -","- F6 H12 Mn O6 Si -","- F12 H24 Mn2 O12 Si2 -","2","0.5","","MIKURIYA, Masahiro; WATANABE, Nanami; KOYAMA, Yoshiki; YOSHIOKA, Daisuke; OGAWA, Junya; MITSUHASHI, Ryoji; HANDA, Makoto","Crystal Structure and Magnetic Property of Manganese(II) Hexafluorosilicate Hexahydrate","X-ray Structure Analysis Online","2020","36","0","17","19","10.2116/xraystruct.36.17","","","0.71073","MoKα","","0.0481","0.033","","","0.0694","0.0734","","","","","","1.097","","","","has coordinates,has disorder","258163","2020-10-21","18:00:00",""
"1558494","33.04569","0.00013","30.13654","0.00016","39.97965","0.00019","90","","96.4337","0.0004","90","","39564.3","0.3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C376 H392 B16 Co8 F64 N72 O33 -","- C351 H287 B14.5 Co8 F58 N72 O8 -","- C1404 H1148 B58 Co32 F232 N288 O32 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0971","0.0719","","","0.2392","0.2596","","","","","","1.079","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558495","32.8649","0.0002","29.89225","0.00018","40.5389","0.0004","90","","95.9164","0.0007","90","","39613.5","0.5","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C395.5 H411 B16 Co8 F64 N72 O35 -","- C367.428 H298.92 B14.338 Co8 F54.352 N72 O6.984 -","- C1469.71 H1195.68 B57.352 Co32 F217.408 N288 O27.936 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1351","0.0853","","","0.2817","0.3169","","","","","","1.065","","","","has coordinates","258182","2020-10-21","18:00:00",""
"1558496","32.81236","0.00007","30.21497","0.00006","40.09564","0.00008","90","","96.3312","0.00019","90","","39509.4","0.14","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C380.04 H422.24 B16 Co8 F64 N73.12 O38.44 S1.12 -","- C343.984 H278.215 B16 Co8 F61 N73.1076 O2.4462 S1.1076 -","- C1375.94 H1112.86 B64 Co32 F244 N292.43 O9.7848 S4.4304 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0926","0.0672","","","0.2167","0.2358","","","","","","1.098","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558497","32.8588","0.00017","30.06718","0.00013","40.1053","0.0002","90","","96.0585","0.0005","90","","39401.6","0.3","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C377 H416 B16 Cl2 Co8 F64 N72 O39 -","- C339 H262 B9.17 Cl2 Co8 F33.68 N72 O -","- C1356 H1048 B36.68 Cl8 Co32 F134.72 N288 O4 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1176","0.0827","","","0.2785","0.3038","","","","","","1.091","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558498","32.56923","0.0001","30.16165","0.0001","40.83634","0.00017","90","","95.9061","0.0003","90","","39902.3","0.2","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C407.8 H417.66 B16 Co8 F64 N72 O31.03 -","- C376.05 H308.5 B14.4526 Co8 F54.8104 N72 O5.28 -","- C1504.2 H1234 B57.8104 Co32 F219.242 N288 O21.12 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1201","0.0827","","","0.2704","0.2981","","","","","","1.083","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558499","22.7973","0.0004","9.9833","0.0002","17.0522","0.0003","90","","99.954","0.002","90","","3822.53","0.12","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Stanfieldite","- Ca7.97 Fe0.56 Mg9.47 O48 P12 -","- Ca7.96 Fe0.566 Mg9.458 O48 P12 -","- Ca31.84 Fe2.264 Mg37.832 O192 P48 -","4","0.5","","Britvin, Sergey N.; Krzhizhanovskaya, Maria G.; Bocharov, Vladimir N.; Obolonskaya, Edita V.","Crystal Chemistry of Stanfieldite, Ca7M2Mg9(PO4)12 (M = Ca, Mg, Fe2+), a Structural Base of Ca3Mg3(PO4)4 Phosphors","Crystals","2020","10","6","464","","10.3390/cryst10060464","","x-ray","0.71073","MoKα","","0.0511","0.0339","","","0.0781","0.082","","","","","","0.921","","","","has coordinates","254013","2020-10-21","18:00:00",""
"1558500","7.8673","0.0005","11.0031","0.0007","11.7131","0.0006","82.325","0.002","89.994","0.002","81.179","0.002","992.76","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","4,7-dichloroquinoline copper bromide comp","","","- C36 H20 Br3.77 Cl8 Cu2 N4 -","- C36 H20 Br3.7744 Cl8 Cu2 N4 -","- C36 H20 Br3.7744 Cl8 Cu2 N4 -","1","0.5","","Finocchio, Giada; Rizzato, Silvia; Macetti, Giovanni; Tusha, Gers; Lo Presti, Leonardo","Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case","Crystals","2020","10","6","477","","10.3390/cryst10060477","","","0.71073","MoKα","","0.0339","0.025","","","0.0636","0.0671","","","","","","1.062","","","","has coordinates","254015","2020-10-21","18:00:00",""
"1558501","19.6546","0.0008","17.9133","0.0006","24.0581","0.0011","90","","112.816","0.005","90","","7807.6","0.6","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H13.5 B Cu F4 N6 O0.75 -","- C18 H13.5 B Cu F3.999 N6 O0.75 -","- C288 H216 B16 Cu16 F63.984 N96 O12 -","16","4","","Beveridge, Stuart; McAnally, Craig A.; Nichol, Gary S.; Kennedy, Alan R.; Cussen, Edmund J.; Fletcher, Ashleigh J.","Unexpected Selective Gas Adsorption on a ‘Non-Porous’ Metal Organic Framework","Crystals","2020","10","6","548","","10.3390/cryst10060548","","","0.71073","MoKα","","0.0666","0.051","","","0.1226","0.1341","","","","","","1.037","","","","has coordinates,has disorder","254016","2020-10-21","18:00:00",""
"1558504","9.77217","0.00005","9.81597","0.00005","13.76057","0.00008","90","","90","","90","","1319.96","0.012","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0267","0.0267","","","0.0684","0.0684","","","","","","1.095","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558505","5.42071","0.0001","12.6801","0.0003","14.9194","0.0003","90","","90","","90","","1025.49","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.046","0.0448","","","0.1128","0.1139","","","","","","1.076","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558506","6.34756","0.00013","7.9249","0.0002","13.5609","0.0003","90","","93.6003","0.0019","90","","680.82","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0386","0.0384","","","0.1027","0.1031","","","","","","1.057","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558507","8.6917","0.0002","15.6895","0.0005","17.8706","0.0006","90","","101.494","0.002","90","","2388.11","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl N7 O -","- C24 H26 Cl N7 O -","- C96 H104 Cl4 N28 O4 -","4","1","","Hussain, MD. Waseem; Bhardwaj, Vipin; Giri, Arkaprabha; Chande, Ajit; Patra, Abhijit","Multifunctional ionic porous frameworks for CO2 conversion and combating microbes","Chemical Science","2020","11","30","7910","7920","10.1039/D0SC01658F","","","0.71073","MoKα","","0.1177","0.0677","","","0.1662","0.1939","","","","","","1.069","","","","has coordinates","257374","2020-10-21","18:00:00",""
"1558508","12.389","0.0005","12.5456","0.0004","7.5297","0.0003","90","","99.928","0.004","90","","1152.8","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Butyl-2-hydroxy-1-naphthaldehyde","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Wu, An; Qian, Hui; Zhao, Wanxiang; Sun, Jianwei","Benzannulation of Isobenzopyryliums with Electron-Rich Alkynes: A Modular Access to β-Functionalized Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02502J","","x-ray","0.71073","MoKα","","0.0634","0.0434","","","0.1029","0.1124","","","","","","1.003","","","","has coordinates","254040","2020-10-21","18:00:00",""
"1558509","7.37471","0.00014","19.0645","0.0003","9.32895","0.00018","90","","111.872","0.002","90","","1217.19","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Butyl-7-fluoro-2-hydroxy-1-naphthaldehyde","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","","Wu, An; Qian, Hui; Zhao, Wanxiang; Sun, Jianwei","Benzannulation of Isobenzopyryliums with Electron-Rich Alkynes: A Modular Access to β-Functionalized Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02502J","","x-ray","1.54184","CuKα","","0.0325","0.0307","","","0.0798","0.0814","","","","","","1.001","","","","has coordinates","254040","2020-10-21","18:00:00",""
"1558510","6.0977","0.0004","8.3134","0.0006","18.1062","0.0012","90","","97.792","0.002","90","","909.38","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 O2 P -","- C22 H21 O2 P -","- C44 H42 O4 P2 -","2","1","","Yang, Zhiping; Gu, Xiaodong; Han, Li-Biao; Wang, Jun (Joelle)","Palladium-catalyzed asymmetric hydrophosphorylation of alkynes: facile access to P-stereogenic phosphinates","Chemical Science","2020","11","28","7451","7455","10.1039/D0SC01049A","","x-ray","0.71073","MoKα","","0.0556","0.0517","","","0.1306","0.1334","","","","","","1.077","","","","has coordinates","257283","2020-10-21","18:00:00",""
"1558511","11.7351","0.0011","15.9629","0.0019","21.44","0.003","90","","90","","90","","4016.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 B F4 Te -","- C19 H25 B F4 Te -","- C152 H200 B8 F32 Te8 -","8","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","x-ray","0.71073","MoKα","","0.0823","0.0669","","","0.168","0.1889","","","","","","1.075","","","","has coordinates,has disorder","254042","2020-10-21","18:00:00",""
"1558512","12.377","0.0014","11.7628","0.0014","13.8733","0.0017","90","","115.705","0.004","90","","1819.9","0.4","110","2","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pentafluorophenyl mesityl methyl telluronium tetrafluoroborate","","- C16 H14 B F9 Te -","- C16 H14 B F9 Te -","- C64 H56 B4 F36 Te4 -","4","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","","0.71073","MoKα","","0.0324","0.0256","","","0.0569","0.0623","","","","","","1.118","","","","has coordinates","254042","2020-10-21","18:00:00",""
"1558513","8.5716","0.0003","7.433","0.0002","25.0537","0.0008","90","","97.146","0.001","90","","1583.84","0.09","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H3 B F14 Te -","- C13 H3 B F14 Te -","- C52 H12 B4 F56 Te4 -","4","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","","0.71073","MoKα","","0.0369","0.0248","","","0.046","0.0507","","","","","","1.102","","","","has coordinates","254042","2020-10-21","18:00:00",""
"1558521","7.9639","0.0002","8.3386","0.0002","28.4084","0.0008","90","","90","","90","","1886.54","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0345","0.0343","","","0.0909","0.091","","","","","","1.059","","","","has coordinates,has disorder","254773","2020-10-21","18:00:00",""
"1558522","7.8764","0.0007","8.2662","0.0007","31.176","0.003","90","","90","","90","","2029.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0398","0.0397","","","0.101","0.1012","","","","","","1.12","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558523","10.7266","0.0006","10.6192","0.0006","16.318","0.0009","90","","100.492","0.002","90","","1827.67","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H29 O5.5 -","- C19 H28 O5.5 -","- C76 H112 O22 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0466","0.0461","","","0.1242","0.1248","","","","","","1.037","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558524","8.4232","0.0011","30.675","0.004","8.5481","0.0011","90","","101.44","0.006","90","","2164.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","xpc67","","","- C21 H34 O8 -","- C21 H32 O8 -","- C84 H128 O32 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.1566","0.1454","","","0.3939","0.4141","","","","","","1.752","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558525","6.6138","0.0003","10.491","0.0005","18.5288","0.0009","90","","99.538","0.002","90","","1267.86","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O9 -","- C26 H36 O9 -","- C52 H72 O18 -","2","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0346","0.0336","","","0.1034","0.1058","","","","","","0.916","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558526","7.9409","0.0001","11.0197","0.0002","18.8393","0.0003","90","","90","","90","","1648.56","0.04","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0359","0.0347","","","0.111","0.1135","","","","","","1.01","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558527","7.6538","0.0003","22.4697","0.001","44.905","0.002","90","","90","","90","","7722.7","0.6","170","2","170.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 O3.5 -","- C20 H33 O3.5 -","- C320 H528 O56 -","16","4","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.1498","0.1107","","","0.2428","0.2662","","","","","","0.993","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558528","6.7321","0.0003","13.4089","0.0006","37.6911","0.0017","90","","90","","90","","3402.4","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O3.5 -","- C19.5 H28 O3.5 -","- C156 H224 O28 -","8","2","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0544","0.0461","","","0.1247","0.1347","","","","","","1.079","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558529","12.865","0.0004","16.2889","0.0005","20.1106","0.0006","111.308","0.001","101.254","0.001","90.736","0.001","3834.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MFF-4","","","- C144 H150 Cu4 N14 O74 -","- C144 H150 Cu4 N14 O74 -","- C144 H150 Cu4 N14 O74 -","1","0.5","","Leonhardt, Viktoria; Fimmel, Stefanie; Krause, Ana-Maria; Beuerle, Florian","A Covalent Organic Cage Compound Acting as a Supramolecular Shadow Mask for the Regioselective Functionalization of C60","Chemical Science","2020","","","","","10.1039/D0SC03131C","","","1.54178","CuKα","","0.0812","0.0649","","","0.1916","0.2064","","","","","","1.029","","","","has coordinates,has disorder","254095","2020-10-21","18:00:00",""
"1558530","29.1214","0.0007","10.5552","0.0002","17.3216","0.0004","90","","104.072","0.001","90","","5164.6","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 B F2 N O2 S -","- C27 H34 B F2 N O2 S -","- C216 H272 B8 F16 N8 O16 S8 -","8","1","","Shen, Feng; Lv, Long; Shen, Qilong","Electrophilic Fluoroalkylthiolation Induced Diastereoselective and Stereospecific 1,2-Metalate Migration of Alkenylboronate Complexes","Chemical Science","2020","","","","","10.1039/D0SC03039B","","","0.71073","MoKα","","0.0631","0.046","","","0.1292","0.1459","","","","","","1.03","","","","has coordinates","254096","2020-10-21","18:00:00",""
"1558531","9.726","0.0002","11.7737","0.0003","13.0343","0.0003","90","","90","","90","","1492.57","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Zhang, Lin; Yamazaki, Ken; Leitch, Jamie A.; Manzano, Ruben; Atkinson, Victoria A. M.; Hamlin, Trevor A.; Dixon, Darren J.","Dual catalytic enantioselective desymmetrization of allene-tethered cyclohexanones","Chemical Science","2020","","","","","10.1039/D0SC02878A","","","1.54184","CuKα","","0.0328","0.0301","","0.0759","0.0728","0.0755","","","","","","0.9981","","","","has coordinates","254097","2020-10-21","18:00:00",""
"1558532","19.855","0.003","5.7928","0.0007","16.427","0.002","90","","105.359","0.013","90","","1821.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 S -","- C22 H20 O3 S -","- C88 H80 O12 S4 -","4","1","","Zhang, Xueying; Zhang, Zhansong; Song, Jin-Na; Wang, Zikun","Reductive radical-initiated 1,2-C migration assisted by azidyl group","Chemical Science","2020","","","","","10.1039/D0SC02559C","","","0.71073","MoKα","","0.0872","0.0491","","","0.0978","0.1139","","","","","","1.018","","","","has coordinates","254098","2020-10-21","18:00:00",""
"1558533","9.2575","0.0007","9.6845","0.0007","10.1145","0.0008","79.903","0.006","84.497","0.007","80.659","0.006","878.8","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Zhang, Xueying; Zhang, Zhansong; Song, Jin-Na; Wang, Zikun","Reductive radical-initiated 1,2-C migration assisted by azidyl group","Chemical Science","2020","","","","","10.1039/D0SC02559C","","","0.71073","MoKα","","0.0731","0.0503","","","0.1134","0.1308","","","","","","1.017","","","","has coordinates","254098","2020-10-21","18:00:00",""
"1558534","18.6658","0.0016","21.9717","0.0019","22.0792","0.0019","71.751","0.002","67.119","0.001","68.721","0.002","7616.1","1.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- H76 K8 N Na9 Nd2 O165 Se4 W35 -","- K8 N Na9 Nd2 O165 Se4 W35 -","- K16 N2 Na18 Nd4 O330 Se8 W70 -","2","1","","Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","Two unusual nanosized Nd<sup>3+</sup>-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.","Nanoscale","2020","12","30","16091","16101","10.1039/d0nr04051g","","","0.71073","MoKα","","0.1135","0.0757","","","0.1845","0.2006","","","","","","1.062","","","","has coordinates","256127","2020-10-21","18:00:00",""
"1558535","19.6262","0.0015","28.53","0.002","30.005","0.002","90.355","0.002","99.225","0.002","94.275","0.001","16535","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H275 N7 Na4 Nd6 O310 Se6 W58 -","- C14 H54 N7 Na4 Nd6 O254 Se6 W58 -","- C28 H108 N14 Na8 Nd12 O508 Se12 W116 -","2","1","","Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","Two unusual nanosized Nd<sup>3+</sup>-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.","Nanoscale","2020","12","30","16091","16101","10.1039/d0nr04051g","","","0.71073","MoKα","","0.2362","0.1193","","","0.2551","0.2926","","","","","","1.028","","","","has coordinates","256127","2020-10-21","18:00:00",""
"1558536","18.4073","0.0017","13.2209","0.0015","6.2891","0.0006","90","","90","","90","","1530.5","0.3","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 O2 Te -","- C18 H16 O2 Te -","- C72 H64 O8 Te4 -","4","1","","Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi","Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer","Polymer Chemistry","2020","11","29","4693","4698","10.1039/D0PY00724B","","","0.71075","MoKα","","","0.0472","","","","0.1507","","","","","","1.02","","","","has coordinates","257930","2020-10-21","18:00:00",""
"1558537","9.6046","0.0009","10.539","0.001","19.635","0.002","99.405","0.003","103.196","0.003","102.209","0.004","1843.9","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br2 O2 Te -","- C18 H16 Br2 O2 Te -","- C72 H64 Br8 O8 Te4 -","4","2","","Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi","Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer","Polymer Chemistry","2020","11","29","4693","4698","10.1039/D0PY00724B","","","0.71075","MoKα","","","0.1255","","","","0.3573","","","","","","1.887","","","","has coordinates","257930","2020-10-21","18:00:00",""
"1558539","16.136","0.0011","19.7871","0.0013","23.2458","0.0014","76.706","0.003","73.016","0.003","80.103","0.003","6864.3","0.8","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H112 Au8 Fe4 P8 -","- C136 H112 Au8 Fe4 P8 -","- C272 H224 Au16 Fe8 P16 -","2","1","","Li, Shuo Hao; Liu, Xu; Hu, Weigang; Chen, Mingyang; Zhu, Yan","An Au<sub>8</sub> Cluster Fortified by Four Ferrocenes.","The journal of physical chemistry. A","2020","124","29","6061","6067","10.1021/acs.jpca.0c03366","","","1.34139","GaKα","","0.0882","0.0675","","","0.1844","0.2014","","","","","","1.076","","","","has coordinates","254781","2020-10-21","18:00:00",""
"1558540","7.1672","0.0003","13.7037","0.0005","17.9697","0.0008","90","","90","","90","","1764.93","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 N Ru -","- C19 H21 Cl2 N Ru -","- C76 H84 Cl8 N4 Ru4 -","4","1","","Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram","One-pot dual catalysis for the hydrogenation of heteroarenes and arenes","Catalysis Science & Technology","2020","10","15","5163","5170","10.1039/D0CY00928H","","x-ray","0.71073","MoKα","","0.0273","0.0232","","","0.0463","0.0477","","","","","","1.06","","","","has coordinates","257216","2020-10-21","18:00:00",""
"1558541","10.8627","0.0003","12.5842","0.0004","22.6057","0.0007","90","","97.098","0.003","90","","3066.48","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Al N2 O -","- C33 H47 Al N2 O -","- C132 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0754","0.0509","","","0.1135","0.1259","","","","","","1.029","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558542","16.5281","0.0006","12.2177","0.0005","15.9821","0.0006","90","","90","","90","","3227.4","0.2","173.05","0.1","173.05","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H49 Al N2 O -","- C35 H49 Al N2 O -","- C140 H196 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1023","0.1074","","","","","","1.032","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558543","16.1355","0.0005","12.4185","0.0004","15.8598","0.0005","90","","90","","90","","3177.97","0.17","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H47 Al N2 O -","- C34 H47 Al N2 O -","- C136 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0549","0.0444","","","0.0989","0.1056","","","","","","1.029","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558544","10.9108","0.0002","12.4443","0.0002","22.7523","0.0004","90","","99.2427","0.0019","90","","3049.14","0.09","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Al N2 O -","- C33 H45 Al N2 O -","- C132 H180 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","1.54184","CuKα","","0.0652","0.045","","","0.1078","0.1216","","","","","","1.017","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558545","13.6025","0.0008","17.2522","0.001","17.7358","0.0009","108.504","0.005","93.588","0.005","112.988","0.006","3549.6","0.4","173","0.14","173","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C75 H110 Al2 N4 O4 -","- C75 H110 Al2 N4 O4 -","- C150 H220 Al4 N8 O8 -","2","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.1127","0.0705","","","0.1668","0.1886","","","","","","1.046","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558546","14.319","0.0004","9.8459","0.0003","23.113","0.0007","90","","98.845","0.003","90","","3219.8","0.17","173","0.14","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 Al N2 O -","- C34 H49 Al N2 O -","- C136 H196 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.069","0.0466","","","0.1065","0.1186","","","","","","1.018","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558547","18.62","0.004","8.9532","0.0003","32.557","0.007","90","","144.73","0.05","90","","3134","4","173","0.14","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 Al N2 O -","- C34 H47 Al N2 O -","- C136 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","1.54184","CuKα","","0.0866","0.0494","","","0.1068","0.1196","","","","","","0.967","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558552","8.9401","0.0001","10.3433","0.0001","9.3915","0.0001","90","","103.451","0.001","90","","844.611","0.016","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0257","0.0257","","","0.0666","0.0666","","","","","","1.068","","","","has coordinates","254162","2020-10-21","18:00:00",""
"1558553","7.17307","0.00003","9.46902","0.00005","36.9162","0.0002","90","","90","","90","","2507.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0314","0.0311","","","0.0804","0.0806","","","","","","1.058","","","","has coordinates,has disorder","254162","2020-10-21","18:00:00",""
"1558554","12.273","0.0001","13.8593","0.0001","19.0331","0.0002","90","","103.984","0.001","90","","3141.49","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.042","0.0392","","","0.104","0.1063","","","","","","1.045","","","","has coordinates","254162","2020-10-21","18:00:00",""
"1558555","17.815","0.0012","18.8153","0.0013","19.2663","0.0013","90","","90","","90","","6458","0.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H86 O16 S2 Si2 -","- C58 H86 O16 S2 Si2 -","- C232 H344 O64 S8 Si8 -","4","1","","Rose, John A.; Mahapatra, Subham; Li, Xin; Wang, Chao; Chen, Lei; Swick, Steven M.; Herzon, Seth B.","Synthesis of the bis(cyclohexenone) core of (−)-lomaiviticin A","Chemical Science","2020","","","","","10.1039/D0SC02770G","","","1.54178","CuKα","","0.0823","0.0711","","","0.2108","0.2205","","","","","","1.086","","","","has coordinates","254163","2020-10-21","18:00:00",""
"1558556","6.3096","0.0006","29.084","0.002","7.5539","0.0008","90","","91.45","0.009","90","","1385.8","0.2","133.15","","133.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O3 -","- C15 H14 N6 O3 -","- C60 H56 N24 O12 -","4","1","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","x-ray","0.71073","MoKα","","0.0816","0.0615","","","0.1544","0.1686","","","","","","1.13","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558557","19.9828","0.0007","12.5986","0.0005","14.2705","0.0005","90","","101.853","0.003","90","","3516.1","0.2","133.15","","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 I N6 O3 -","- C16 H17 I N6 O3 -","- C128 H136 I8 N48 O24 -","8","2","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","","0.71073","MoKα","","0.1083","0.1022","","","0.2203","0.2243","","","","","","1.198","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558560","14.4078","0.0004","24.1255","0.0007","14.433","0.0004","90","","99.165","0.003","90","","4952.8","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C111 H119.5 Au2 N5 O -","- C111 H119.5 Au2 N5 O -","- C222 H239 Au4 N10 O2 -","2","0.5","","Ibáñez, Susana; Poyatos, Macarena; Peris, Eduardo","N-Heterocyclic Carbenes: A Door Open to Supramolecular Organometallic Chemistry.","Accounts of chemical research","2020","","","","","10.1021/acs.accounts.0c00312","","x-ray","0.71073","MoKα","","0.056","0.0486","","","0.1058","0.1092","","","","","","1.227","","","","has coordinates,has disorder","254185","2020-10-21","18:00:00",""
"1558561","34.176","0.007","6.3699","0.0013","26.382","0.005","90","","123.428","0.006","90","","4793.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","","- C56 H20 F20 N4 Zn -","- C56 H20 F20 N4 Zn -","- C224 H80 F80 N16 Zn4 -","4","0.5","","Lin, Zeyuan; Li, Jianfeng","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","IUCrData","2020","5","7","x200877","","10.1107/S2414314620008779","","","0.71073","MoKα","","0.0454","0.0342","","","0.1095","0.1192","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","254207","2020-10-21","18:00:00",""
"1558562","9.74134","0.00005","9.83313","0.00004","14.91737","0.00006","90","","98.2662","0.0004","90","","1414.06","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","","- C16 H14 F N O3 -","- C16 H14 F N O3 -","- C64 H56 F4 N4 O12 -","4","2","WM4133","Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","IUCrData","2020","5","7","x200897","","10.1107/S2414314620008974","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0785","0.079","","","","","","1.054","","","","has coordinates,has disorder","254208","2020-10-21","18:00:00",""
"1558563","8.996","0.0018","15.921","0.003","18.297","0.004","90","","102.59","0.03","90","","2557.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","HB4349","Jiang, Hong; Li, Yu-Long; Zhou, Jin; Sun, Hong-Shun; Zhang, Qing-Yu; Shi, Xing-Hao; Zhang, Zhi-Yuan; Ling, Tian","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2020","5","7","x200912","","10.1107/S2414314620009128","","","0.71073","MoKα","","0.3412","0.1426","","","0.2527","0.3063","","","","","","1.296","","","","has coordinates,has Fobs","254209","2020-10-21","18:00:00",""
"1558564","5.7173","0.0017","7.346","0.003","12.436","0.004","90","","93.07","0.03","90","","521.6","0.3","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","HB4353","Linkova, Elena I.; Grinev, Vyacheslav S.; Mayorova, Oksana A.; Yegorova, Alevtina Yu.","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","IUCrData","2020","5","7","x200919","","10.1107/S2414314620009190","","x-ray","0.71073","MoKα","","0.0937","0.054","","","0.123","0.1596","","","","","","1.061","","","","has coordinates,has Fobs","254210","2020-10-21","18:00:00",""
"1558565","7.2994","0.0002","9.6105","0.0003","23.9296","0.0008","90","","90","","90","","1678.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","ZQ4040","Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","IUCrData","2020","5","7","x200857","","10.1107/S2414314620008573","","","0.71073","MoKα","","0.0481","0.0377","","","0.0823","0.0876","","","","","","1.103","","","","has coordinates,has Fobs","254211","2020-10-21","18:00:00",""
"1558566","14.1567","0.0017","6.2892","0.0007","37.652","0.005","90","","95.26","0.004","90","","3338.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H59 Br4 Cl9 O13 -","- C60 H59 Br4 Cl9 O13 -","- C120 H118 Br8 Cl18 O26 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.06","0.0435","","","0.1006","0.1113","","","","","","1.009","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558567","12.537","0.0005","12.7632","0.0006","18.2961","0.0007","90","","90","","90","","2927.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 N O8 S -","- C31 H41 N O8 S -","- C124 H164 N4 O32 S4 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0614","0.047","","","0.1211","0.1345","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558568","14.5716","0.0003","30.3441","0.0007","12.135","0.0003","90","","90","","90","","5365.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C232 H320 O80 -","8","2","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0448","0.0398","","","0.0998","0.1041","","","","","","0.958","","","","has coordinates,has disorder","254778","2020-10-21","18:00:00",""
"1558569","6.3191","0.0002","11.9806","0.0004","12.9208","0.0005","90","","100.742","0.0013","90","","961.05","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0304","0.0295","","","0.0828","0.0838","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558570","7.6298","0.0004","7.8915","0.0004","16.7699","0.0009","90","","94.598","0.002","90","","1006.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C46 H72 O12 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0357","0.0322","","","0.077","0.0797","","","","","","1.001","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558571","6.469","0.0003","11.9665","0.0007","33.9275","0.0017","90","","90","","90","","2626.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O9 -","- C29 H44 O9 -","- C116 H176 O36 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.1015","0.0571","","","0.1152","0.1394","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558578","7.57","0.0001","10.8882","0.0002","45.5723","0.001","90","","90","","90","","3756.24","0.12","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.1108","0.0575","","","0.1318","0.1607","","","","","","1.001","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558579","11.7598","0.0012","6.7923","0.0005","19.84","0.002","90","","94.713","0.008","90","","1579.4","0.3","297","","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H14 O6.5 -","- C19 H14 O6.5 -","- C76 H56 O26 -","4","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.1371","0.0816","","","0.2089","0.245","","","","","","1.029","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558580","18.522","0.0003","13.0651","0.0002","7.0412","0.0001","90","","103.76","0.001","90","","1655.01","0.04","296","","296","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.0438","0.0376","","","0.0933","0.0988","","","","","","1.06","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558581","8.4122","0.0005","20.175","0.0011","26.6799","0.0016","90","","90","","90","","4528","0.5","277","2","277","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O7 -","- C19 H14 O7 -","- C228 H168 O84 -","12","3","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.06","0.0498","","","0.1489","0.1775","","","","","","1.067","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558582","14.345","0.002","8.3232","0.0013","8.8793","0.0014","90","","120.694","0.002","90","","911.6","0.2","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Liu, Chao; Zhai, Kun; Yu, Zhipeng; Nie, Anmin; Liu, Zhongyuan; Sun, Young","Hydrogen Bond Tuning of Magnetoelectric Coupling in Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03916","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","254254","2020-10-21","18:00:00",""
"1558583","8.3371","0.0008","8.3371","0.0008","22.909","0.005","90","","90","","120","","1379","0.4","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Liu, Chao; Zhai, Kun; Yu, Zhipeng; Nie, Anmin; Liu, Zhongyuan; Sun, Young","Hydrogen Bond Tuning of Magnetoelectric Coupling in Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03916","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","254254","2020-10-21","18:00:00",""
"1558584","9.423","0.002","40.326","0.008","10.692","0.002","90","0.03","107.3","0.03","90","0.03","3879.1","1.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 F6 O6 -","- C48 H30 F6 O6 -","- C192 H120 F24 O24 -","4","1","","Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori","Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors","Chemical Science","2020","","","","","10.1039/D0SC02836C","","","0.71073","MoKα","","0.1243","0.0522","","","0.0992","0.1219","","","","","","0.973","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558585","11.3765","0.0016","13.951","0.002","14.046","0.002","69.423","0.002","70.729","0.002","86.627","0.002","1966","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F6 O6 -","- C48 H30 F6 O6 -","- C96 H60 F12 O12 -","2","1","","Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori","Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors","Chemical Science","2020","","","","","10.1039/D0SC02836C","","","0.71073","MoKα","","0.0633","0.0558","","","0.1426","0.1467","","","","","","1.088","","","","has coordinates,has disorder","254260","2020-10-21","18:00:00",""
"1558586","16.087","0.003","25.358","0.005","21.354","0.004","90","0.03","90","0.03","90","0.03","8711","3","150","2","149.98","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tubular[4,8]arene","","- C53 H41.5 N4.5 O4 -","- C53 H41.5 N4.5 O4 -","- C424 H332 N36 O32 -","8","1","","Mirzaei, Saber; Castro, Edison; Hernández Sánchez, Raúl","Tubularenes","Chemical Science","2020","","","","","10.1039/D0SC03384G","","","1.54184","CuKα","","0.1829","0.0786","","","0.1911","0.2527","","","","","","0.957","","","","has coordinates,has disorder","254294","2020-10-21","18:00:00",""
"1558587","16.1738","0.0014","11.4534","0.0009","27.691","0.002","90","","96.754","0.002","90","","5094","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 Al2 O6 -","- C46 H62 Al2 O6 -","- C184 H248 Al8 O24 -","4","0.5","","Wang, Zhe; Zhang, Xianhui; Liang, Hongwen; Xian, Mo; Wang, Xiaowu","Binuclear aluminum Lewis acid and its behavior in the polymerization of methyl methacrylate and n-butyl acrylate","Polymer Chemistry","2020","11","34","5526","5533","10.1039/D0PY00572J","","","0.71073","MoKα","","0.1187","0.0729","","","0.2024","0.2252","","","","","","1.034","","","","has coordinates","257952","2020-10-21","18:00:00",""
"1558588","13.4072","0.0006","7.2619","0.0003","14.8167","0.0006","90","","101.307","0.003","90","","1414.58","0.1","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O11 -","- C30 H40 O11 -","- C60 H80 O22 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of <i>Melianthus major</i>.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0248","0.0248","","","0.0627","0.0628","","","","","","1.053","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558589","10.146","0.0008","10.4082","0.0009","10.8554","0.0009","90","","110.004","0.002","90","","1077.19","0.16","100","","99.91","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O7 -","- C26 H30 O7 -","- C52 H60 O14 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of <i>Melianthus major</i>.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0293","0.0292","","","0.0794","0.0795","","","","","","1.029","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558590","15.7031","0.0006","15.8728","0.0006","27.7808","0.001","83.548","0.001","76.381","0.001","62.29","0.001","5957.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H114 F12 N10 O33 Rh4 S4 -","- C104 H96 F9 N8 O27 Rh4 S3 -","- C208 H192 F18 N16 O54 Rh8 S6 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0957","0.0751","","","0.1934","0.2087","","","","","","1","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558591","29.994","0.002","14.8641","0.0008","33.736","0.002","90","","103.709","0.002","90","","14612.2","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C131 H146 F12 N16 O34 Rh4 S4 -","- C128 H112 F12 N16 O23 Rh4 S4 -","- C512 H448 F48 N64 O92 Rh16 S16 -","4","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0955","0.0635","","","0.1654","0.1886","","","","","","1.038","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558592","21.4001","0.0008","56.956","0.002","13.5367","0.0004","90","","90","","90","","16499.4","1","173","2","172.98","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C154 H182 F12 Ir4 N24 O33 S4 -","- C132 H126 F6 Ir4 N18 O17 S2 -","- C528 H504 F24 Ir16 N72 O68 S8 -","4","0.5","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0613","0.0528","","","0.1523","0.1604","","","","","","1.075","","","","has coordinates","254327","2020-10-21","18:00:00",""
"1558593","14.7048","0.0006","20.1231","0.0009","28.5603","0.0012","105.589","0.002","95.648","0.002","100.981","0.002","7890.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H163 F12 N16 O34 Rh4 S4 -","- C151 H127 F9 N16 O17 Rh4 S3 -","- C302 H254 F18 N32 O34 Rh8 S6 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.096","0.0668","","","0.182","0.2032","","","","","","1.035","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558594","30.1831","0.0013","15.0508","0.0008","33.4363","0.0015","90","","103.152","0.002","90","","14791","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C160 H184 F12 Ir4 N20 O26 S4 -","- C125 H112 F3 Ir4 N16 O11 S -","- C500 H448 F12 Ir16 N64 O44 S4 -","4","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0911","0.0706","","","0.21","0.2278","","","","","","1.035","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558595","36.05","0.002","39.906","0.002","43.383","0.002","90","","108.546","0.002","90","","59170","5","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C286 H393 Ag2 F18 N31 O58 Rh6 S6 -","- C227.5 H225.5 Ag2 F12 N28.5 O25.5 Rh6 S4 -","- C1820 H1804 Ag16 F96 N228 O204 Rh48 S32 -","8","2","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.1087","0.0987","","","0.2614","0.2672","","","","","","1.051","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558605","9.8861","0.0008","7.5065","0.0008","12.9438","0.001","90","","94.152","0.007","90","","958.04","0.15","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cr N2 O4 -","- C20 H24 Cr N2 O4 -","- C40 H48 Cr2 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0874","0.0536","","","0.0907","0.1092","","","","","","1.049","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558606","10.2476","0.0013","4.7011","0.0006","11.3501","0.0015","90","","92.163","0.012","90","","546.4","0.12","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cr O4 -","- C10 H14 Cr O4 -","- C20 H28 Cr2 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.1098","0.0615","","","0.0948","0.112","","","","","","1.073","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558607","7.9894","0.0007","8.5405","0.0008","9.4779","0.0009","103.054","0.008","101.71","0.008","92.188","0.007","614.49","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","1","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0983","0.06","","","0.105","0.1252","","","","","","1.091","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558608","9.9399","0.001","9.5252","0.0009","12.143","0.001","90","","94.29","0.008","90","","1146.47","0.18","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cr F6 N2 O4 -","- C22 H22 Cr F6 N2 O4 -","- C44 H44 Cr2 F12 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0943","0.0631","","","0.1257","0.1433","","","","","","1.046","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558609","17.0458","0.0016","16.5877","0.0016","19.5942","0.0017","90","","112.851","0.003","90","","5105.5","0.8","173","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H83 La N2 O4 Si2 -","- C49 H83 La N2 O4 Si2 -","- C196 H332 La4 N8 O16 Si8 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0847","0.0527","","","0.0906","0.1021","","","","","","1.022","","","","has coordinates","254368","2020-10-21","18:00:00",""
"1558610","15.355","0.002","15.378","0.002","35.734","0.005","90","","94.563","0.005","90","","8411.1","1.9","173.21","","173.21","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C91 H111 La N2 O4 P2 Si2 -","- C77 H95 La N2 O4 P2 Si2 -","- C308 H380 La4 N8 O16 P8 Si8 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0659","0.0528","","","0.1315","0.1399","","","","","","1.046","","","","has coordinates,has disorder","254368","2020-10-21","18:00:00",""
"1558611","15.221","0.0016","15.3725","0.0015","35.552","0.004","90","","93.759","0.003","90","","8300.7","1.5","173.19","","173.19","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C91 H111 N2 O4 P2 Si2 Y -","- C77 H95 N2 O4 P2 Si2 Y -","- C308 H380 N8 O16 P8 Si8 Y4 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0615","0.0477","","","0.1238","0.1332","","","","","","1.018","","","","has coordinates,has disorder","254368","2020-10-21","18:00:00",""
"1558612","9.04","0.009","16.15","0.008","14.32","0.006","90","","101.67","0.006","90","","2047","2","301","2","301","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Cl O7 -","- C23 H21 Cl O7 -","- C92 H84 Cl4 O28 -","4","0.5","","Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai","A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis","Chemical Science","2020","","","","","10.1039/D0SC02623A","","","0.71073","MoKα","","0.1771","0.1275","","","0.2138","0.2347","","","","","","1.328","","","","has coordinates","254369","2020-10-21","18:00:00",""
"1558613","6.29482","0.00014","13.8975","0.0003","11.1692","0.0002","90","","90.663","0.002","90","","977.04","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.0447","0.042","","","0.111","0.1134","","","","","","1.072","","","","has coordinates","257934","2020-10-21","18:00:00",""
"1558614","10.4936","0.0003","12.3484","0.0003","16.1383","0.0004","99.335","0.002","102.497","0.002","112.561","0.002","1814.32","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O5 -","- C41 H46 N4 O5 -","- C82 H92 N8 O10 -","2","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","","1.54184","CuKα","","0.0594","0.0512","","","0.147","0.1571","","","","","","1.031","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558615","15.72214","0.00017","19.9433","0.0002","20.9335","0.0003","90","","90","","90","","6563.73","0.13","150","0.3","150","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H42 N4 O4 -","- C39 H42 N4 O4 -","- C312 H336 N32 O32 -","8","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.043","0.0366","","","0.0903","0.0948","","","","","","1.024","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558616","20.276","0.003","8.9776","0.0009","9.1929","0.001","90","","99.218","0.005","90","","1651.8","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0649","0.0432","","","0.1044","0.1185","","","","","","1.05","","","","has coordinates","258151","2020-10-21","18:00:00",""
"1558617","13.288","0.006","8.182","0.003","17.804","0.007","90","","96.917","0.014","90","","1921.6","1.4","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0454","0.0357","","","0.092","0.0995","","","","","","1.037","","","","has coordinates","258151","2020-10-21","18:00:00",""
"1558618","9.3078","0.0003","10.2556","0.0003","17.487","0.0005","103.668","0.001","100.331","0.001","103.757","0.001","1525.61","0.08","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","2","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0537","0.0432","","","0.1151","0.1233","","","","","","1.032","","","","has coordinates","258151","2020-10-21","18:00:00",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"1558620","55.051","0.017","3.8355","0.0011","35.979","0.012","90","","125.214","0.006","90","","6207","3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","","- C17 H10 Br Cl2 N O2 -","- C17 H10 Br Cl2 N O2 -","- C272 H160 Br16 Cl32 N16 O32 -","16","2","VM4045","Mayorova, Oksana A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","IUCrData","2020","5","7","x200937","","10.1107/S2414314620009372","","","0.71073","MoKα","","0.1574","0.0919","","","0.1931","0.22","","","","","","1.057","","","","has coordinates,has Fobs","254398","2020-10-21","18:00:00",""
"1558621","23.6627","0.0012","23.6627","0.0012","10.9815","0.0006","90","","90","","120","","5325","0.5","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","","- C93 H138 I Mo3 N3 S13 -","- C93 H138 I Mo3 N3 S13 -","- C186 H276 I2 Mo6 N6 S26 -","2","0.333333","PK4027","Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P.","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","IUCrData","2020","5","7","x200939","","10.1107/S2414314620009396","","","0.71073","MoKα","","0.0427","0.0366","","","0.1004","0.1036","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","254399","2020-10-21","18:00:00",""
"1558623","7.6535","0.0003","13.7374","0.0005","31.5932","0.0015","90","","90","","90","","3321.7","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","2","","Zhang, Jian; Liu, Zhi-Wen; Li, Yong; Wei, Cui-Jie; Xie, Jing; Yuan, Meng-Fei; Zhang, Dong-Mei; Ye, Wen-Cai; Zhang, Xiao-Qi","Structurally Diverse Indole Alkaloids with Vasorelaxant Activity from Melodinus hemsleyanus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00925","","x-ray","1.54184","CuKα","","0.1013","0.0951","","","0.2315","0.235","","","","","","1.1","","","","has coordinates","254409","2020-10-21","18:00:00",""
"1558624","8.7009","0.0001","11.6468","0.0002","42.6723","0.0007","90","","90","","90","","4324.31","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O9 -","- C20 H25 N3 O9 -","- C160 H200 N24 O72 -","8","2","","Zhang, Jian; Liu, Zhi-Wen; Li, Yong; Wei, Cui-Jie; Xie, Jing; Yuan, Meng-Fei; Zhang, Dong-Mei; Ye, Wen-Cai; Zhang, Xiao-Qi","Structurally Diverse Indole Alkaloids with Vasorelaxant Activity from Melodinus hemsleyanus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00925","","x-ray","1.54178","CuKα","","0.0477","0.0468","","","0.1336","0.1344","","","","","","1.052","","","","has coordinates","254410","2020-10-21","18:00:00",""
"1558626","4.5997","0.0003","56.635","0.004","5.5074","0.0004","90","","99.223","0.004","90","","1416.15","0.17","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N O2 -","- C29 H53 N O2 -","- C58 H106 N2 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","1.54178","CuKα","","0.1647","0.0894","","","0.2105","0.2497","","","","","","1.045","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558627","5.4494","0.0003","8.9235","0.0005","57.441","0.003","90","","92.643","0.002","90","","2790.3","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N O2 -","- C31 H47 N O2 -","- C124 H188 N4 O8 -","4","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.1242","0.056","","","0.1073","0.1255","","","","","","1.034","","","","has coordinates,has disorder","254418","2020-10-21","18:00:00",""
"1558628","5.3544","0.0003","6.8239","0.0004","39.92","0.002","87.742","0.004","88.869","0.004","75.291","0.004","1409.62","0.14","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 N2 O2 -","- C30 H46 N2 O2 -","- C60 H92 N4 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","1.54178","CuKα","","0.1569","0.0994","","","0.1798","0.2017","","","","","","1.09","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558629","9.5968","0.0006","4.6441","0.0003","57.52","0.004","90","","92.59","0.002","90","","2561","0.3","120","","120","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C54 H95 N O4 -","- C54 H95 N O4 -","- C108 H190 N2 O8 -","2","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0945","0.0561","","","0.1217","0.1361","","","","","","1.049","","","","has coordinates,has disorder","254418","2020-10-21","18:00:00",""
"1558630","5.577","0.0004","11.8339","0.0008","23.0041","0.0015","100.67","0.002","96.096","0.002","103.007","0.002","1436.25","0.17","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H104 N2 O4 -","- C60 H104 N2 O4 -","- C60 H104 N2 O4 -","1","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0754","0.0497","","","0.1263","0.1398","","","","","","1.019","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558631","4.5738","0.0003","5.3909","0.0003","46.647","0.003","88.6499","0.0015","88.5073","0.0014","81.4017","0.0014","1136.63","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H42 O2 -","- C25 H42 O2 -","- C50 H84 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.6889","synchrotron","","0.0802","0.064","","","0.1772","0.1886","","","","","","1.035","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558632","5.4415","0.0002","8.9535","0.0004","55.673","0.003","90","","90.8823","0.001","90","","2712.1","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 N2 O4 -","- C60 H92 N2 O4 -","- C120 H184 N4 O8 -","2","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.6889","synchrotron","","0.0562","0.0529","","","0.151","0.1553","","","","","","1.069","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558633","20.0926","0.0014","8.0678","0.0006","11.6061","0.0008","90","","97.064","0.003","90","","1867.1","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C64 H136 N8 O24 -","8","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0505","0.0356","","","0.0931","0.1011","","","","","","1.023","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558634","20.0773","0.0005","20.0773","0.0005","23.9655","0.0008","90","","90","","90","","9660.4","0.5","223","1","223","1","","","","","","","","5","I -4","I -4","82","","","","- C240 H168 N12 O38 Pd2 -","- C240 H168 N12 O38 Pd2 -","- C480 H336 N24 O76 Pd4 -","2","0.25","","Tsutsui, Takahiro; Catti, Lorenzo; Yoza, Kenji; Yoshizawa, Michito","An Atropisomeric M2L4 Cage Mixture Displaying Guest-Induced Convergence and Strong Guest Emission in Water","Chemical Science","2020","","","","","10.1039/D0SC03223A","","","0.71073","MoKα","","0.1256","0.0991","","","0.2732","0.3162","","","","","","1.332","","","","has coordinates,has disorder","254419","2020-10-21","18:00:00",""
"1558635","7.1488","0.0004","9.197","0.0004","8.9688","0.0004","91.708","0.006","98.099","0.006","77.201","0.005","569.29","0.05","","","298","","","","100","","","","","9","P -1","-P 1","2","Ca2(Fe0.565Mn0.33Mg0.08Ca0.025)(Al1.94Fe0.06)Si4BO15(OH)","","axinite-Fe","- Al1.94 B Ca2.025 Fe0.615 H Mg0.08 Mn0.33 O16 Si4 -","- Al1.94 B Ca2.025 Fe0.625 H Mg0.08 Mn0.33 O16 Si4 -","- Al3.88 B2 Ca4.05 Fe1.25 H2 Mg0.16 Mn0.66 O32 Si8 -","2","1","","Kitahara, D.; Arima, H.; Kawamata, T.; Sugiyama, K.; Mikouchi, T.","The location of Mn and Fe in axinite-(Fe) from Nandan, China determined by anomalous X-ray scattering (AXS)","Journal of Mineralogical and Petrological Sciences","2020","115","","227","235","10.2465/jmps.190110","","","","","","","","","","","","","","","","","","","","","has coordinates","259040","2020-11-07","23:26:46",""
"1558636","3.8803","0.0001","3.8803","0.0001","7.7796","0.0004","90","","90","","90","","117.135","0.007","","","298","","","","100","","","","","5","P 4/m m m","-P 4 2","123","Sr(Co0.87Nb0.1Sn0.03)O2.74","","","- Co0.87 Nb0.1 O2.74 Sn0.03 Sr -","- Co O2.74 Sr -","- Co2 O5.48 Sr2 -","2","0.125","","Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y.","Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes","Journal of Asian Ceramic Societies","2020","8","","519","527","10.1080/21870764.2020.1756066","","","","","","","","","","","","","","","","","","","","","has coordinates","254429","2020-10-21","18:00:00",""
"1558637","3.8875","0.0001","3.8875","0.0001","7.7906","0.0004","90","","90","","90","","117.737","0.007","","","298","","","","100","","","","","5","P 4/m m m","-P 4 2","123","Sr(Co0.85Nb0.1Sn0.05)O2.76","","","- Co0.85 Nb0.1 O2.76 Sn0.05 Sr -","- Co O2.76 Sr -","- Co2 O5.52 Sr2 -","2","0.125","","Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y.","Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes","Journal of Asian Ceramic Societies","2020","8","","519","527","10.1080/21870764.2020.1756066","","","","","","","","","","","","","","","","","","","","","has coordinates","254430","2020-10-21","18:00:00",""
"1558638","6.571","0.003","12.434","0.005","12.168","0.006","90","","93.376","0.007","90","","992.4","0.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-1-phenylpyridin-2(1H)-one","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.0925","0.0693","","","0.1384","0.1506","","","","","","1.189","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558639","9.935","0.005","7.985","0.004","13.41","0.007","90","","110.758","0.009","90","","994.8","0.9","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methoxy-2-phenoxypyridine","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.1042","0.0617","","","0.1159","0.1373","","","","","","1.09","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558640","6.0218","0.0015","15.569","0.004","17.415","0.004","90","","91.278","0.005","90","","1632.3","0.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diphenyliodonium 2-oxo-5-(trifluoromethyl)-2H-pyridin-1-ide","","- C18 H13 F3 I N O -","- C18 H13 F3 I N O -","- C72 H52 F12 I4 N4 O4 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.0559","0.0417","","","0.0888","0.1059","","","","","","1.274","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558641","16.6384","0.0004","21.0131","0.0006","9.0227","0.0002","90","","90","","90","","3154.56","0.14","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H46 Al F N2 -","- C35 H46 Al F N2 -","- C140 H184 Al4 F4 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0703","0.0458","","","0.1072","0.1248","","","","","","1.04","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558642","16.641","0.0008","21.2084","0.0007","8.9762","0.0004","90","","90","","90","","3168","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0643","0.0482","","","0.1085","0.1179","","","","","","1.059","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558643","22.3034","0.0005","19.6726","0.0005","7.40067","0.00018","90","","90","","90","","3247.16","0.14","173","2","173","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.041","0.0355","","","0.0901","0.0936","","","","","","1.067","","","","has coordinates","254450","2020-10-21","18:00:00",""
"1558644","12.2421","0.0003","22.2792","0.0004","12.5805","0.0003","90","","109.551","0.003","90","","3233.43","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Al F3 N2 -","- C35 H44 Al F3 N2 -","- C140 H176 Al4 F12 N8 -","4","1","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0579","0.0417","","","0.1027","0.1145","","","","","","1.02","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558645","14.5388","0.0005","20.1047","0.0006","8.9393","0.0003","90","","90","","90","","2612.94","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0727","0.0549","","","0.1368","0.1609","","","","","","1.034","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558646","25.104","0.0008","18.4374","0.0008","17.7897","0.0005","90","","90","","90","","8234","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C45.5 H56 Al F3 N2 -","- C45.5 H56 Al F3 N2 -","- C364 H448 Al8 F24 N16 -","8","1","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0796","0.085","","","","","","1.023","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558647","14.522","0.0004","20.1046","0.0008","8.9481","0.0003","90","","90","","90","","2612.48","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0667","0.0491","","","0.1245","0.1419","","","","","","1.028","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558648","12.088","0.002","12.625","0.002","16.135","0.003","81.857","0.002","89.421","0.003","77.548","0.002","2379.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(FeMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C86 H80 B2 F40 Fe2 N8 O4 -","- C86 H80 B2 F40 Fe2 N8 O4 -","- C86 H80 B2 F40 Fe2 N8 O4 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0685","0.0541","","","0.1461","0.1585","","","","","","1.036","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558649","12.009","0.003","12.574","0.003","16.141","0.004","82.488","0.003","89.864","0.003","77.525","0.003","2358.5","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(CoMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C86 H80 B2 Co2 F40 N8 O4 -","- C86 H80 B2 Co2 F40 N8 O4 -","- C86 H80 B2 Co2 F40 N8 O4 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0622","0.0492","","","0.1275","0.138","","","","","","1.031","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558650","12.015","0.002","12.54","0.002","16.083","0.003","97.774","0.003","90.679","0.003","101.898","0.002","2347.4","0.7","100","2","100","","","","","","","","","7","P -1","-P 1","2","","[(NiMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C90 H90 B2 F40 N8 Ni2 O5 -","- C90 H90 B2 F40 N8 Ni2 O5 -","- C90 H90 B2 F40 N8 Ni2 O5 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0484","0.0393","","","0.1013","0.1074","","","","","","1.049","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558651","26.788","0.006","22.494","0.005","19.436","0.005","90","","110.506","0.003","90","","10969","4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(FeMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 F60 Fe2 N8 O3 -","- C106 H74 B3 F60 Fe2 N8 O3 -","- C424 H296 B12 F240 Fe8 N32 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0633","0.0445","","","0.1057","0.1159","","","","","","1.041","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558652","26.694","0.01","22.411","0.008","19.45","0.007","90","","110.424","0.004","90","","10904","7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(NiMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 F60 N8 Ni2 O3 -","- C106 H74 B3 F60 N8 Ni2 O3 -","- C424 H296 B12 F240 N32 Ni8 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0651","0.0487","","","0.1155","0.1271","","","","","","1.028","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558653","26.75","0.01","22.475","0.008","19.437","0.007","90","","110.625","0.004","90","","10937","7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(CoMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 Co2 F60 N8 O3 -","- C106 H74 B3 Co2 F60 N8 O3 -","- C424 H296 B12 Co8 F240 N32 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0783","0.0617","","","0.144","0.1528","","","","","","1.136","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558654","31.8763","0.0012","6.7502","0.0002","27.2595","0.001","90","","114.087","0.002","90","","5354.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H25 N O -","- C37 H25 N O -","- C296 H200 N8 O8 -","8","1","","Frigoli, Michel; Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Zangarelli, Agnese; Pannacci, Danilo; Adachi, Chihaya; Ortica, Fausto","Synthesis and photochromic behaviour of a series of benzopyrans bearing an N-phenyl-carbazole moiety: photochromism control by the steric effect.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","10","1344","1355","10.1039/d0pp00202j","","","0.71073","MoKα","","0.0621","0.0565","","","0.1323","0.1351","","","","","","1.17","","","","has coordinates","258982","2020-11-06","13:17:56",""
"1558655","10.747","0.003","11.263","0.003","12.692","0.004","90","","102.758","0.012","90","","1498.4","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 Rh2 -","- C16 H16 Cl2 Rh2 -","- C64 H64 Cl8 Rh8 -","4","1","","Tang, Tang; Ahumada, Guillermo; Bielawski, Christopher W.","Direct laser writing of poly(phenylene vinylene) on poly(barrelene)","Polymer Chemistry","2020","11","34","5437","5443","10.1039/D0PY00869A","","","1.54187","CuKα","","0.0353","0.033","","","0.0803","0.0812","","","","","","0.969","","","","has coordinates,has disorder","257951","2020-10-21","18:00:00",""
"1558656","12.6825","0.0008","8.3355","0.0005","7.2205","0.0005","90","","120.444","0.003","90","","658.07","0.08","302","2","302","2","","","","","","","","4","C 1 2 1","C 2y","5","","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]]","","- C8 H12 Cu3 N5 -","- C8 H12 Cu3 N5 -","- C16 H24 Cu6 N10 -","2","0.5","PK4028","Corfield, Peter W. R.; Stavola, Thomas James","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid","IUCrData","2020","5","7","x200968","","10.1107/S2414314620009682","","","0.7107","MoKα","","0.0464","0.0308","","","0.0623","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","254476","2020-10-21","18:00:00",""
"1558657","9.8084","0.001","11.6806","0.0011","12.0754","0.0013","77.474","0.006","85.686","0.006","80.742","0.006","1331.8","0.2","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H26 Cl2 N2 O -","- C31 H26 Cl2 N2 O -","- C62 H52 Cl4 N4 O2 -","2","1","HB4352","Shraddha, K. N.; Begum, Noor Shahina","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2020","5","7","x200870","","10.1107/S2414314620008706","","","0.71073","MoKα","","0.079","0.0634","","","0.1978","0.2212","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","254477","2020-10-21","18:00:00",""
"1558658","9.2324","0.0003","11.1656","0.0004","23.3497","0.0008","90","","90","","90","","2407.01","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","","- C25 H29 Cl N2 O7 -","- C25 H29 Cl N2 O7 -","- C100 H116 Cl4 N8 O28 -","4","1","BT4095","Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","IUCrData","2020","5","7","x200945","","10.1107/S2414314620009451","","","0.71073","MoKα","","0.0475","0.0381","","","0.1002","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","254478","2020-10-21","18:00:00",""
"1558659","11.8749","0.0004","6.1545","0.0002","12.1392","0.0004","90","","105.369","0.001","90","","855.46","0.05","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O -","- C23 H20 O -","- C46 H40 O2 -","2","1","","Yuan, Yuan; Zhang, Xue; Qian, Hui; Ma, Shengming","Catalytic enantioselective allene-anhydride approach to β,γ-unsaturated enones bearing an α-all-carbon-quaternary center","Chemical Science","2020","","","","","10.1039/D0SC03227A","","","1.54178","CuKα","","0.0398","0.0389","","","0.1094","0.1109","","","","","","1.048","","","","has coordinates","254490","2020-10-21","18:00:00",""
"1558660","9.8823","0.0015","11.2269","0.0015","15.424","0.002","100.041","0.007","90.517","0.006","102.779","0.007","1641.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 N2 O2 -","- C46 H32 N2 O2 -","- C92 H64 N4 O4 -","2","1","","Goto, Masahide; Yajima, Tatsuo; Minami, Masaki; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis and Cross-Linking of a Benzoxazine-Containing Anthracene Moiety: Thermally Stable Photoluminescent Benzoxazine Resin","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00910","","","0.71075","MoKα","","0.1548","0.054","","","0.0914","0.1147","","","","","","0.856","","","","has coordinates","254524","2020-10-21","18:00:00",""
"1558661","10.715","0.002","11.6367","0.0016","14.6771","0.0016","110.288","0.011","110.241","0.013","91.134","0.013","1590.1","0.5","190","2","190","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C69 H102 O12 -","3","3","","Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai","Myrcaulones A‒C, Unusual Rearranged Triketone‒Terpene Adducts from Myrciaria cauliflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00283","","","1.54184","CuKα","","0.1496","0.1277","","","0.3099","0.352","","","","","","1.216","","","","has coordinates","254557","2020-10-21","18:00:00",""
"1558662","6.0857","0.0001","16.6326","0.0003","19.5442","0.0003","90","","90","","90","","1978.28","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai","Myrcaulones A‒C, Unusual Rearranged Triketone‒Terpene Adducts from Myrciaria cauliflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00283","","","1.54178","CuKα","","0.0475","0.0462","","","0.1296","0.1318","","","","","","1.067","","","","has coordinates","254558","2020-10-21","18:00:00",""
"1558663","6.1587","0.0005","9.3173","0.0008","15.993","0.0013","96.1247","0.0013","90.4111","0.0013","99.2413","0.0014","900.36","0.13","149","2","149","2","","","","","","","","3","P -1","-P 1","2","cis-3-([1,1?-biphenyl]-4-ylmethyl)-4-neopentyltetrahydrofuran","LL-2","","- C22 H28 O -","- C22 H28 O -","- C44 H56 O2 -","2","1","","Liu, Lei; Lee, Wes; Youshaw, Cassandra R.; Yuan, Mingbin; Geherty, Michael B.; Zavalij, Peter Y.; gutierrez, osvaldo","Fe-Catalyzed Three-Component Dicarbofunctionalization of Unactivated Alkenes with Alkyl Halides and Grignard Reagents","Chemical Science","2020","","","","","10.1039/D0SC02127J","","","0.71073","MoKα","","0.0554","0.0487","","","0.0938","0.0963","","","","","","1","","","","has coordinates","254567","2020-10-21","18:00:00",""
"1558664","12.9243","0.0002","16.0575","0.0002","18.3402","0.0003","90","","103.636","0.001","90","","3698.89","0.1","100","0.7","100","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N5 O2 -","- C45 H45 N5 O2 -","- C180 H180 N20 O8 -","4","1","","Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent","Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps","Chemical Science","2020","","","","","10.1039/D0SC03445B","","x-ray","1.54184","CuKα","","0.0515","0.0488","","","0.1294","0.1328","","","","","","1.031","","","","has coordinates","254568","2020-10-21","18:00:00",""
"1558665","15.3125","0.0002","15.3125","0.0002","23.868","0.0004","90","","90","","90","","5596.39","0.14","100.01","0.11","100.01","0.11","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C54 H65 N6 O5 -","- C54 H65 N6 O5 -","- C216 H260 N24 O20 -","4","0.5","","Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent","Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps","Chemical Science","2020","","","","","10.1039/D0SC03445B","","x-ray","1.54184","CuKα","","0.0891","0.0802","","","0.2419","0.2557","","","","","","1.054","","","","has coordinates,has disorder","254568","2020-10-21","18:00:00",""
"1558666","7.9004","0.0002","10.426","0.0003","10.5078","0.0003","99.903","0.002","104.93","0.002","110.061","0.003","752.55","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","","- C15 H12.5 Cu I N2.5 -","- C15 H12.5 Cu I N2.5 -","- C30 H25 Cu2 I2 N5 -","2","1","BH4052","Hoffman, Jessica L.; Akhigbe, Jessie E.; Reinheimer, Eric W.; Smucker, Bradley W.","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","IUCrData","2020","5","7","x200998","","10.1107/S2414314620009980","","","0.71073","MoKα","","0.0542","0.0349","","","0.0817","0.0912","","","","","","1.031","","","","has coordinates,has Fobs","254587","2020-10-21","18:00:00",""
"1558667","20.704","0.002","20.704","0.002","13.5643","0.0016","90","","90","","120","","5035.4","0.9","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.38 H28.5 F1.5 N3 O5.62 -","- C24.375 H28.5 F1.5 N3 O5.54625 -","- C195 H228 F12 N24 O44.37 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.0429","0.0414","","","0.1221","0.1245","","","","","","1.021","","","","has coordinates,has disorder","254630","2020-10-21","18:00:00",""
"1558668","12.805","0.003","23.973","0.006","32.637","0.008","90","","90","","90","","10019","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32.33 H39 F2 N5.67 O7 -","- C32.3333 H39 F2 N5.66667 O7 -","- C388 H468 F24 N68 O84 -","12","3","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.2198","0.1136","","","0.2034","0.2435","","","","","","1.047","","","","has coordinates","254631","2020-10-21","18:00:00",""
"1558669","20.7","0.003","20.7","0.003","13.6652","0.0017","90","","90","","120","","5070.9","1.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.75 H29.25 F1.5 N3 O5.62 -","- C24.75 H29.25 F1.5 N3 O5.61825 -","- C198 H234 F12 N24 O44.946 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.1344","0.0585","","","0.0593","0.0691","","","","","","1.072","","","","has coordinates,has disorder","254632","2020-10-21","18:00:00",""
"1558670","8.6196","0.0007","10.2451","0.0007","12.2006","0.0008","106.432","0.004","94.759","0.004","90.868","0.004","1029.01","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.0796","0.0493","","","0.1142","0.1285","","","","","","1.05","","","","has coordinates,has disorder","254633","2020-10-21","18:00:00",""
"1558671","9.4358","0.0006","10.0861","0.0006","11.3101","0.0007","94.68","0.003","91.031","0.003","97.524","0.004","1063.11","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.1154","0.0723","","","0.1777","0.2225","","","","","","1.15","","","","has coordinates","254634","2020-10-21","18:00:00",""
"1558672","8.6295","0.0005","10.2499","0.0005","12.1993","0.0007","106.366","0.003","94.675","0.003","90.873","0.003","1031.06","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.045","0.0376","","","0.083","0.0866","","","","","","1.094","","","","has coordinates,has disorder","254635","2020-10-21","18:00:00",""
"1558673","7.9704","0.0015","5.7466","0.001","36.314","0.007","90","","95.924","0.004","90","","1654.4","0.5","150","","150","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 -","- C25 H18 -","- C100 H72 -","4","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0636","0.0524","","","0.1228","0.1309","","","","","","1.065","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558674","9.362","0.003","9.511","0.002","20.202","0.005","90","","99.403","0.011","90","","1774.7","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O2 S -","- C24 H16 O2 S -","- C96 H64 O8 S4 -","4","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.124","0.0814","","","0.142","0.1573","","","","","","1.208","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558675","10.1221","0.0008","13.8377","0.0011","7.1345","0.0005","90","","91.65","0.002","90","","998.89","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C48 H32 O8 S4 -","4","0.5","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0518","0.0454","","","0.1333","0.1401","","","","","","1.088","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558676","8.3173","0.0013","9.6055","0.0017","13.2","0.002","100.545","0.005","92.275","0.004","90.001","0.005","1035.9","0.3","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C60 H52 -","- C60 H52 -","- C60 H52 -","1","0.5","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1297","0.07","","","0.1705","0.2008","","","","","","1.033","","","","has coordinates,has disorder","254636","2020-10-21","18:00:00",""
"1558677","8.5024","0.0008","11.1377","0.001","26.18","0.002","83.462","0.007","84.924","0.007","89.341","0.007","2453.4","0.4","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C31 H30 -","- C31 H30 -","- C124 H120 -","4","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1666","0.0682","","","0.137","0.1792","","","","","","0.994","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558678","21.5488","0.0014","21.5488","0.0014","9.6725","0.0006","90","","90","","90","","4491.4","0.5","100","","100","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C15 H14 -","- C15 H14 -","- C240 H224 -","16","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0671","0.0478","","","0.118","0.1338","","","","","","1.049","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558679","7.3833","0.0013","8.4946","0.0016","15.02","0.003","94.371","0.005","93.59","0.006","90.853","0.005","937.3","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 O4 S2 -","- C24 H14 O4 S2 -","- C48 H28 O8 S4 -","2","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1041","0.0653","","","0.1639","0.1804","","","","","","1.057","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558680","15.642","0.005","17.335","0.003","18.046","0.003","90","","98.641","0.005","90","","4837.7","1.9","150","","150","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C30 H28 O2 S -","- C30 H28 O2 S -","- C240 H224 O16 S8 -","8","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1178","0.0883","","","0.1966","0.2131","","","","","","1.046","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558681","19.5956","0.0005","22.8016","0.0004","16.5804","0.0004","90","","109.79","0.003","90","","6970.8","0.3","298","2","298","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 -","- C45 H38 -","- C360 H304 -","8","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.168","0.0955","","","0.2331","0.2548","","","","","","1.572","","","","has coordinates,has disorder","254636","2020-10-21","18:00:00",""
"1558682","7.6704","0.0019","16.878","0.003","23.693","0.005","71.258","0.016","84.16","0.02","78.786","0.018","2846.7","1.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H20 O6 S3 -","- C36 H20 O6 S3 -","- C144 H80 O24 S12 -","4","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.6889","","","0.1546","0.0854","","","0.2218","0.2427","","","","","","0.945","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558683","5.4118","0.0001","15.0266","0.0002","15.9498","0.0003","91.13","0.001","96.791","0.001","92.639","0.001","1286.17","0.04","170","2","170.01","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 Ni O2 -","- C32 H24 N6 Ni O2 -","- C64 H48 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.042","0.0335","","","0.0809","0.0859","","","","","","1.023","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558684","6.3174","0.0002","10.7495","0.0003","12.7292","0.0004","74.886","0.002","79.406","0.002","89.242","0.002","819.75","0.04","170","2","170.03","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N6 Ni O2 -","- C40 H44 N6 Ni O2 -","- C40 H44 N6 Ni O2 -","1","0.5","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.052","0.0434","","","0.1223","0.1374","","","","","","1.037","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558685","9.8938","0.0018","19.286","0.003","10.6047","0.0019","90","","116.982","0.013","90","","1803.2","0.6","170","2","169.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 N6 Ni O2 -","- C44 H32 N6 Ni O2 -","- C88 H64 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.129","0.0666","","","0.153","0.1858","","","","","","0.921","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558686","11.1027","0.0002","12.8123","0.0002","16.5909","0.0003","68.334","0.001","89.593","0.001","74.963","0.001","2107.87","0.07","170","2","170.02","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N6 Ni O2 -","- C52 H52 N6 Ni O2 -","- C104 H104 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.0424","0.0367","","","0.0985","0.1022","","","","","","1.068","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558687","13.1494","0.001","9.6899","0.0006","14.8185","0.0013","90","","113.295","0.006","90","","1734.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","GG4005","Detert, Heiner; Kluge, Laura; Schollmeyer, Dieter","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","IUCrData","2020","5","7","x201018","","10.1107/S2414314620010184","","","0.71073","MoKα","","0.1134","0.0719","","","0.1551","0.1845","","","","","","1.048","","","","has coordinates,has Fobs","254647","2020-10-21","18:00:00",""
"1558688","6.1778","0.0003","7.77","0.0004","14.8862","0.0007","90","","95.935","0.004","90","","710.73","0.06","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","","- C8 H6 N6 Pt S4 -","- C8 H6 N6 Pt S4 -","- C16 H12 N12 Pt2 S8 -","2","0.5","BV4032","Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","IUCrData","2020","5","7","x200980","","10.1107/S2414314620009803","","x-ray","0.71073","MoKα","","0.0202","0.0168","","","0.0373","0.0383","","","","","","1.046","","","","has coordinates,has Fobs","254648","2020-10-21","18:00:00",""
"1558689","10.9445","0.0009","7.3353","0.0006","23.495","0.002","90","","96.25","0.004","90","","1875","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]-methyl 16-oxo-ent-beyran-19-oat","","- C37 H51 N3 O12 -","- C37 H51 N3 O12 -","- C74 H102 N6 O24 -","2","1","","Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E.","Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00134","","","0.71073","MoKα","","0.0763","0.0509","","","0.1144","0.1301","","","","","","0.893","","","","has coordinates","254656","2020-10-21","18:00:00",""
"1558690","11.5347","0.0019","8.1076","0.0014","11.9342","0.0016","90","","112.133","0.008","90","","1033.8","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N3 O2 -","- C22 H35 N3 O2 -","- C44 H70 N6 O4 -","2","1","","Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E.","Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00134","","","0.71073","MoKα","","0.2465","0.0874","","","0.1016","0.1432","","","","","","0.992","","","","has coordinates","254657","2020-10-21","18:00:00",""
"1558691","9.5202","0.0018","14.868","0.003","10.981","0.002","90","","113.499","0.004","90","","1425.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O4 S2 -","- C30 H38 N2 O4 S2 -","- C60 H76 N4 O8 S4 -","2","1","","Walia, Manish; Teijaro, Christiana N.; Gardner, Alex; Tran, Thi; Kang, Jinfeng; Zhao, Senzhi; O’Connor, Sarah E.; Courdavault, Vincent; Andrade, Rodrigo B.","Synthesis of (−)-Melodinine K: A Case Study of Efficiency in Natural Product Synthesis","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00310","","","0.71073","MoKα","","0.0465","0.0367","","","0.0794","0.0825","","","","","","0.979","","","","has coordinates","254658","2020-10-21","18:00:00",""
"1558692","9.521","0.0011","19.764","0.002","10.8022","0.0012","90","","103.759","0.012","90","","1974.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C88 H88 N16 O12 -","4","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.0998","0.0546","","","0.1366","0.1536","","","","","","1.18","","","","has coordinates","257928","2020-10-21","18:00:00",""
"1558693","9.6779","0.0008","10.4548","0.001","12.1262","0.001","112.874","0.009","91.882","0.007","103.594","0.007","1088.16","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C50 H46 N10 O6 -","2","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.0977","0.0513","","","0.1163","0.1334","","","","","","0.994","","","","has coordinates","257928","2020-10-21","18:00:00",""
"1558694","9.5658","0.0008","10.6286","0.0015","12.2495","0.0015","113.08","0.012","91.151","0.008","103.715","0.009","1104.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 O3 -","- C26 H24 N4 O3 -","- C52 H48 N8 O6 -","2","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.1137","0.0536","","","0.1144","0.1387","","","","","","1.027","","","","has coordinates","257928","2020-10-21","18:00:00",""
"1558695","6.7054","0.0001","40.6996","0.0009","12.4989","0.0003","90","","93.864","0.002","90","","3403.28","0.12","100","0.12","100","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H60 Br1.24 Cl0.76 N2 O -","- C33 H60 Br1.241 Cl0.759 N2 O -","- C132 H240 Br4.964 Cl3.036 N8 O4 -","4","1","","Chen, Xi; Spiering, Glenn A.; Slebodnick, Carla; Long, Timothy E.; Moore, Robert B.","Deciphering the 3D Microstructures of a Doubly Charged Homopolymer through a Complementary Correlation of Monomer Crystallography and Polymer Powder X-ray Diffraction","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01270","","x-ray","1.54184","CuKα","","0.0584","0.0511","","","0.1308","0.1354","","","","","","1.052","","","","has coordinates,has disorder","254687","2020-10-21","18:00:00",""
"1558696","10.1037","0.0006","11.6662","0.0007","23.623","0.0015","90","","97.789","0.002","90","","2758.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Cl Ir N -","- C30 H47 Cl Ir N -","- C120 H188 Cl4 Ir4 N4 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","1.34139","GaKα","","0.0487","0.0461","","","0.1211","0.1231","","","","","","1.146","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558697","9.4294","0.0003","15.2306","0.0004","16.4958","0.0005","90","","94.904","0.001","90","","2360.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Cl I0 Ir N O2 -","- C24 H35 Cl Ir N O2 -","- C96 H140 Cl4 Ir4 N4 O8 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","0.71073","MoKα","","0.0245","0.0198","","","0.0469","0.049","","","","","","0.969","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558698","26.038","0.003","26.038","0.003","7.7843","0.001","90","","90","","120","","4570.5","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1054","0.0785","","0.2639","0.2168","0.2639","","","","","","0.9777","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558699","26.025","0.002","26.025","0.002","7.7498","0.0007","90","","90","","120","","4545.7","0.6","293","","293","","","","960000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1035","0.0823","","0.2525","0.2171","0.2525","","","","","","1.0556","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558700","26.453","0.002","26.453","0.002","7.7499","0.0006","90","","90","","120","","4696.5","0.6","293","","293","","","","520000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0955","0.0669","","0.1662","0.1275","0.1655","","","","","","1.0712","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558701","25.4451","0.0017","25.4451","0.0017","7.7312","0.0005","90","","90","","120","","4335","0.5","293","","293","","","","1570000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0809","0.0608","","0.2098","0.1666","0.2098","","","","","","0.9937","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558702","25.1855","0.0018","25.1855","0.0018","7.73","0.0006","90","","90","","120","","4246.3","0.5","293","","293","","","","2150000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.4859","?","","0.1126","0.0631","","0.1913","0.1298","0.1913","","","","","","1.0343","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558703","24.8906","0.0016","24.8906","0.0016","7.757","0.0005","90","","90","","120","","4161.9","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1138","0.0802","","0.1519","0.1257","0.1517","","","","","","1.0283","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558704","26.594","0.003","26.594","0.003","7.7475","0.0009","90","","90","","120","","4745.3","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0609","0.0452","","0.0833","0.075","0.0833","","","","","","0.9899","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558705","49.169","0.003","49.169","0.003","7.7897","0.0005","90","","90","","120","","16309.3","1.8","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H32 Cu2 N4 O8 -","- C36 H32 Cu2 N4 O8 -","- C648 H576 Cu36 N72 O144 -","18","1","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.2815","0.1966","","0.4126","0.2282","0.2282","","","","","","1.2142","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558706","26.44","0.0006","26.44","0.0006","7.8045","0.0002","90","","90","","120","","4724.97","0.19","293","","293","","","","70000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1011","0.0701","","0.1693","0.1481","0.1693","","","","","","1","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558707","26.3304","0.0007","26.3304","0.0007","7.7955","0.0002","90","","90","","120","","4680.5","0.2","293","","293","","","","140000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0949","0.0701","","0.1753","0.151","0.1753","","","","","","1.0493","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558708","25.342","0.002","25.342","0.002","7.7011","0.0005","90","","90","","120","","4283.2","0.6","293","","293","","","","1270000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1318","0.0871","","0.2454","0.1924","0.2454","","","","","","1.0094","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558709","26.0243","0.0005","26.0243","0.0005","7.7622","0.0002","90","","90","","120","","4552.75","0.17","293","","293","","","","330000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1366","0.0888","","0.1873","0.1667","0.1873","","","","","","1.1468","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558710","25.4689","0.0016","25.4689","0.0016","7.7069","0.0006","90","","90","","120","","4329.4","0.5","293","","293","","","","880000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1688","0.1229","","0.3484","0.2935","0.3484","","","","","","0.9832","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558711","26.62","0.0012","26.62","0.0012","7.7505","0.0004","90","","90","","120","","4756.4","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0733","0.055","","0.1656","0.1503","0.1656","","","","","","1.1296","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558712","25.7864","0.0008","25.7864","0.0008","7.7459","0.0003","90","","90","","120","","4460.5","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0694","0.0514","","0.1613","0.1467","0.1613","","","","","","1.0139","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558713","25.2568","0.0011","25.2568","0.0011","7.7047","0.0004","90","","90","","120","","4256.4","0.3","293","","293","","","","1560000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.138","0.0964","","0.2634","0.2125","0.2634","","","","","","1.035","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558714","26.1591","0.0014","26.1591","0.0014","7.7544","0.0005","90","","90","","120","","4595.4","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0744","0.0559","","0.1817","0.1579","0.1817","","","","","","0.9837","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558715","25.3023","0.0007","25.3023","0.0007","7.7337","0.0003","90","","90","","120","","4287.8","0.2","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0576","0.0459","","0.1211","0.1112","0.1211","","","","","","0.8986","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558716","7.7799","0.0003","15.1586","0.0009","15.4901","0.0009","116.604","0.006","100.395","0.004","98.422","0.004","1551.99","0.18","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 Cu3 N6 O13 -","- C58 H58 Cu3 N6 O13 -","- C58 H58 Cu3 N6 O13 -","1","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","x-ray","1.54184","CuKα","","0.0808","0.061","","","0.1809","0.1977","","","","","","1.007","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558717","25.4345","0.0008","25.4345","0.0008","7.7363","0.0003","90","","90","","120","","4334.2","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0574","0.0442","","0.1047","0.0978","0.1047","","","","","","0.9951","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558718","25.6002","0.0012","25.6002","0.0012","7.7386","0.0004","90","","90","","120","","4392.2","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0766","0.0622","","0.2222","0.2005","0.2222","","","","","","1.1201","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558719","9.449","0.001","19.372","0.0018","21.3178","0.0019","90","","97.644","0.007","90","","3867.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F6 N2 O3 -","- C19 H16 F6 N2 O3 -","- C152 H128 F48 N16 O24 -","8","2","","Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas","Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01025","","","1.54178","CuKα","","0.2092","0.1136","","","0.267","0.3501","","","","","","0.964","","","","has coordinates","254706","2020-10-21","18:00:00",""
"1558720","21.4182","0.0005","22.3478","0.0005","9.3093","0.0002","90","","90","","90","","4455.89","0.17","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas","Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01025","","","1.54178","CuKα","","0.0686","0.0576","","","0.1313","0.1379","","","","","","1.111","","","","has coordinates","254707","2020-10-21","18:00:00",""
"1558721","11.282","0.006","15.881","0.007","11.591","0.006","90","","111.756","0.012","90","","1928.8","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","","0.71073","MoKα","","0.1508","0.0748","","","0.1676","0.21","","","","","","0.958","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558722","8.33916","0.00006","19.51555","0.00015","11.56961","0.00009","90","","102.22","0.0008","90","","1840.22","0.02","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","x-ray","1.54184","CuKα","","0.0303","0.0298","","","0.0763","0.0769","","","","","","1.052","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558723","17.1075","0.0003","6.98646","0.0001","19.6635","0.0002","90","","90","","90","","2350.2","0.06","139.99","0.1","139.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C88 H100 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0827","0.0832","","","","","","1.037","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558724","9.8726","0.0004","15.8054","0.0007","11.8345","0.0004","90","","94.679","0.001","90","","1840.51","0.13","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","","- C21 H15 F N2 O4 S -","- C21 H15 F N2 O4 S -","- C84 H60 F4 N8 O16 S4 -","4","1","BT4093","Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","IUCrData","2020","5","7","x201028","","10.1107/S2414314620010287","","","0.71073","MoKα","","0.0711","0.0439","","","0.0928","0.1098","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","254734","2020-10-21","18:00:00",""
"1558725","8.515","0.002","8.515","0.002","5.192","0.001","90","","90","","120","","326.01","0.13","","","298","","","","100","","","","","5","P 3 2 1","P 3 2""","150","Ba3TaGa3Si2O14","","","- Ba3 Ga3 O14 Si2 Ta -","- Ba3 Ga3 O14 Si2 Ta -","- Ba3 Ga3 O14 Si2 Ta -","1","0.166667","","Usui, H.; Kusakabe, H.; Tokuda, M.; Sugiyama, K.; Hoshina, T.; Tsurumi, T.; Takeda, H.","Structure and electrical properties of Ba3TaGa3Si2O14 single crystals grown by Czochralski method","Journal of the Ceramic Society of Japan","2020","128","","441","446","10.2109/jcersj2.20016","","","","","","","","","","","","","","","","","","","","","has coordinates","254740","2020-10-21","18:00:00",""
"1558726","5.352","0.005","5.355","0.006","12.632","0.001","90","","90","","90","","362","0.5","","","373","","","","100","","","","","4","A m m m","-A 2 2","65","La1.24Li0.57Li0.5Co0.5O3.15 at 100 C","","","- Co0.5 La1.24 Li1.07 O3.15 -","- Co0.5 La1.24 Li1.07 O3.11 -","- Co2 La4.96 Li4.28 O12.44 -","4","0.25","","Takami, T.; Ishikawa, Y.; Yonemura, M.; Fukunaga, T.; Matsubara, E.; Abe, T.","Crystal structure, ionic conductivity and lithium-ion diffusion pathway in a La-Li-Co-O system","Journal of the Ceramic Society of Japan","2020","128","","453","456","10.2109/jcersj2.19233","","","","","","","","","","","","","","","","","","","","","has coordinates","254741","2020-10-21","18:00:00",""
"1558727","12.562","0.005","10.663","0.005","21.857","0.005","90","0.005","93.762","0.005","90","0.005","2921.4","1.9","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Br3 Fe3 -","- C36 H27 Br3 Fe3 -","- C144 H108 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0737","0.055","","","0.1371","0.1544","","","","","","1.034","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558728","12.1916","0.0006","13.1108","0.0006","18.3274","0.0007","83.468","0.004","78.135","0.004","80.466","0.004","2817.6","0.2","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 Fe3 P3 -","- C72 H52 Fe3 P3 -","- C144 H104 Fe6 P6 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.107","0.0555","","","0.0982","0.1152","","","","","","0.979","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558729","14.0078","0.0004","19.3202","0.0005","12.2848","0.0004","90","","115.926","0.004","90","","2990.08","0.18","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Br3 F3 Fe3 -","- C36 H24 Br3 F3 Fe3 -","- C144 H96 Br12 F12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0508","0.0327","","","0.0612","0.0683","","","","","","1.053","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558730","15.619","0.0005","14.0809","0.0005","14.7566","0.0006","90","","98.42","0.003","90","","3210.4","0.2","130","2","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Br3 Fe3 -","- C39 H33 Br3 Fe3 -","- C156 H132 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.061","0.0405","","","0.0908","0.1017","","","","","","1.035","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558731","7.7184","0.0002","32.9287","0.0007","12.6304","0.0003","90","","93.703","0.002","90","","3203.4","0.13","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Br3 Fe3 -","- C39 H33 Br3 Fe3 -","- C156 H132 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0834","0.046","","","0.0666","0.0762","","","","","","1.008","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558732","10.2357","0.0005","16.1124","0.0006","19.2961","0.0007","102.741","0.003","96.159","0.003","93.096","0.003","3076.2","0.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C76.68 H66.82 Cl Fe3 O0 P3 -","- C76.675 H66.82 Cl Fe3 P3 -","- C153.35 H133.64 Cl2 Fe6 P6 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0624","0.0406","","","0.0829","0.0911","","","","","","1.015","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558733","9.8526","0.0004","10.9313","0.0004","18.774","0.0012","92.519","0.004","103.594","0.005","95.61","0.003","1951.25","0.17","130","","130","","","","","","","","","7","P 1","P 1","1","","","","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","1","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0843","0.0675","","","0.1551","0.1667","","","","","","1.003","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558734","15.7205","0.0003","7.4429","0.0002","20.7347","0.0005","90","","100.647","0.002","90","","2384.32","0.1","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Br2 Fe3 -","- C30 H24 Br2 Fe3 -","- C120 H96 Br8 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0649","0.041","","","0.0775","0.0869","","","","","","1.006","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558735","11.5217","0.0003","11.6762","0.0003","23.9327","0.0007","76.369","0.002","88.688","0.002","69.101","0.003","2916.48","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C69.1 H60.25 Br4 Cl2.25 Fe5 -","- C69.125 H60.25 Br4 Cl2.25 Fe5 -","- C138.25 H120.5 Br8 Cl4.5 Fe10 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0791","0.0404","","","0.0776","0.0824","","","","","","0.861","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558736","17.244","0.0003","17.244","0.0003","33.5908","0.001","90","","90","","120","","8650.2","0.3","130","","130","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H66 B3 Fe3 P3 -","- C72 H66 B3 Fe3 P3 -","- C432 H396 B18 Fe18 P18 -","6","0.333333","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0518","0.0432","","","0.089","0.0931","","","","","","1.05","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558737","10.8725","0.0002","7.3697","0.0001","57.2078","0.0013","90","","94.432","0.002","90","","4570.19","0.15","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br3 F3 Fe2 -","- C26 H16 Br3 F3 Fe2 -","- C208 H128 Br24 F24 Fe16 -","8","2","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0735","0.064","","","0.113","0.1161","","","","","","1.244","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558738","19.44","0.0003","25.6696","0.0005","35.2564","0.0007","103.677","0.002","96.218","0.002","108.488","0.002","15888.5","0.6","130","2","130","2","","","","","","","","9","P -1","-P 1","2","","","","- C247 H128 Al6 Au6 Cl13 F216 Fe6 O24 P6 -","- C215 H128 Al4 Au6 Cl13 F144 Fe6 O16 P6 -","- C430 H256 Al8 Au12 Cl26 F288 Fe12 O32 P12 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.1705","0.0912","","","0.2241","0.277","","","","","","1.027","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558739","19.2673","0.001","23.5145","0.001","35.6971","0.0018","90","","92.434","0.003","90","","16158.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C172 H152 Co9 N17 P6 Se8 -","- C172 H152 Co9 N17 P6 Se8 -","- C688 H608 Co36 N68 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.3094","0.1854","","","0.3438","0.3969","","","","","","1.087","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558740","15.3355","0.0014","17.8362","0.0017","29.564","0.003","87.013","0.006","87.701","0.005","82.9","0.005","8009","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H117 Co9 N9 P6 Se8 -","- C132 H117 Co9 N9 P6 Se8 -","- C264 H234 Co18 N18 P12 Se16 -","2","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.2913","0.0856","","","0.1839","0.238","","","","","","0.803","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558741","30.1353","0.0008","15.1296","0.0005","33.4288","0.001","90","","116.579","0.001","90","","13630.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C129 H117 Co9 N9 P6 Se8 -","- C129 H117 Co9 N9 P6 Se8 -","- C516 H468 Co36 N36 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.0589","0.0341","","","0.067","0.0729","","","","","","1.022","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558742","18.3156","0.0016","24.1602","0.0018","35.255","0.003","90","","92.12","0.004","90","","15590","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H120 Co9 N9 P6 Se8 -","- C132 H120 Co9 N9 P6 Se8 -","- C528 H480 Co36 N36 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.2844","0.1364","","","0.3424","0.399","","","","","","1.042","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558743","19.0473","0.0013","28.0304","0.0018","30.824","0.003","109.902","0.005","97.084","0.005","102.271","0.004","14774","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C258 H228 Co18 N18 P12 Se16 -","- C258 H228 Co18 N18 P12 Se16 -","- C516 H456 Co36 N36 P24 Se32 -","2","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.4204","0.1683","","","0.3907","0.5253","","","","","","1.116","","","","has coordinates","254752","2020-10-21","18:00:00",""
"1558744","9.4551","0.0013","12.9619","0.0018","13.7159","0.0019","90","","106.971","0.008","90","","1607.8","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.","Excited State Electron Transfer from Donor−π System‒Acceptor Dyes to ZnO Nanocrystals","The Journal of Physical Chemistry C","2020","124","28","15565","15573","10.1021/acs.jpcc.0c03828","","","0.71075","MoKα","","0.0564","0.042","","","0.0947","0.1014","","","","","","1.041","","","","has coordinates","257153","2020-10-21","18:00:00",""
"1558745","10.072","0.003","10.703","0.004","41.298","0.013","90","","90.973","0.01","90","","4451","3","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H31 N3 O4 -","- C23 H31 N3 O4 -","- C184 H248 N24 O32 -","8","1","","Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.","Excited State Electron Transfer from Donor−π System‒Acceptor Dyes to ZnO Nanocrystals","The Journal of Physical Chemistry C","2020","124","28","15565","15573","10.1021/acs.jpcc.0c03828","","","0.71075","MoKα","","","0.0698","","","","0.1865","","","","","","0.974","","","","has coordinates","257153","2020-10-21","18:00:00",""
"1558746","6.1494","0.0004","12.1392","0.0009","32.664","0.002","90","","91.559","0.002","90","","2437.4","0.3","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 B Br F2 N4 O -","- C29 H18 B Br F2 N4 O -","- C116 H72 B4 Br4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0509","0.0366","","","0.0891","0.096","","","","","","1.023","","","","has coordinates","257154","2020-10-21","18:00:00",""
"1558747","6.8135","0.0007","12.7688","0.0013","15.1104","0.0016","72.734","0.003","81.142","0.003","85.188","0.003","1239.4","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H17 B Br Cl F2 N4 O -","- C29 H17 B Br Cl F2 N4 O -","- C58 H34 B2 Br2 Cl2 F4 N8 O2 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0655","0.0475","","","0.1296","0.1425","","","","","","1.049","","","","has coordinates","257154","2020-10-21","18:00:00",""
"1558748","6.876","0.004","13.044","0.007","15.177","0.009","72.972","0.016","79.164","0.016","84.313","0.018","1276.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H17 B Br F2 N5 O3 -","- C29 H17 B Br F2 N5 O3 -","- C58 H34 B2 Br2 F4 N10 O6 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0973","0.0646","","","0.1418","0.159","","","","","","1.053","","","","has coordinates,has disorder","257154","2020-10-21","18:00:00",""
"1558749","13.918","0.004","10.44","0.003","17.24","0.005","90","","96.078","0.007","90","","2491","1.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 B Br F2 N4 O -","- C30 H20 B Br F2 N4 O -","- C120 H80 B4 Br4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0931","0.0511","","","0.1039","0.1173","","","","","","1.017","","","","has coordinates","257154","2020-10-21","18:00:00",""
"1558750","10.4979","0.0003","12.8949","0.0003","13.082","0.0003","90","","90","","90","","1770.9","0.08","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Zhou, Bin; Ren, Yu-Hao; Han, Ying-Shan; Mesplède, Thibault; Yue, Jian-Min","Diverse Types of Diterpenoids with an Aromatized C Ring from the Twigs of <i>Podocarpus imbricatus</i>.","Journal of natural products","2020","83","8","2416","2424","10.1021/acs.jnatprod.0c00291","","","1.54178","CuKα","","0.035","0.0318","","","0.0888","0.0899","","","","","","1.021","","","","has coordinates","255873","2020-10-21","18:00:00",""
"1558751","7.2623","0.0005","8.3682","0.0006","23.6179","0.0017","81.735","0.002","87.228","0.002","72.334","0.002","1353.41","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H45 B Cl N P Rh -","- C25 H45 B Cl N P Rh -","- C50 H90 B2 Cl2 N2 P2 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0494","0.0355","","","0.0688","0.0733","","","","","","1.029","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558752","13.155","0.004","13.567","0.004","17.3","0.005","90","","95.737","0.013","90","","3072.1","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0189","0.0185","","","0.0475","0.0477","","","","","","1.037","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558753","18.5","0.003","10.9446","0.0014","16.701","0.005","90","","99.868","0.018","90","","3331.5","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 B Cl Fe N P Rh -","- C34 H51 B Cl Fe N P Rh -","- C136 H204 B4 Cl4 Fe4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0189","0.0174","","","0.0434","0.0443","","","","","","1.048","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558754","11.385","0.005","27.454","0.004","12.146","0.002","90","","95.31","0.03","90","","3780.1","1.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Cl N O2 P Rh -","- C36 H58 B2 Cl N O2 P Rh -","- C144 H232 B8 Cl4 N4 O8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0423","0.0353","","","0.0788","0.083","","","","","","1.057","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558755","8.4198","0.0013","22.107","0.005","15.4","0.003","90","","100.678","0.015","90","","2816.9","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 B Cl N P Rh -","- C26 H47 B Cl N P Rh -","- C104 H188 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0361","0.0253","","","0.0515","0.055","","","","","","1.015","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558756","17.729","0.007","9.767","0.004","19.228","0.008","90","","115.848","0.01","90","","2996","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 B Cl N P Rh -","- C28 H47 B Cl N P Rh -","- C112 H188 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0264","0.0224","","","0.0555","0.0588","","","","","","1.064","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558757","14.758","0.004","11.7829","0.0018","19.206","0.007","90","","107.324","0.009","90","","3188.3","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B Cl F3 N P Rh -","- C31 H46 B Cl F3 N P Rh -","- C124 H184 B4 Cl4 F12 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0226","0.0203","","","0.0466","0.0481","","","","","","1.026","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558758","8.3899","0.0014","20.844","0.004","19.12","0.003","90","","93.632","0.011","90","","3337","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B Cl N2 P Rh -","- C32 H52 B Cl N2 P Rh -","- C128 H208 B4 Cl4 N8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0277","0.0236","","","0.0583","0.0609","","","","","","1.035","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558759","9.269","0.003","12.103","0.003","20.168","0.007","106.938","0.01","91.473","0.014","96.9","0.013","2144.3","1.2","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H69 B2 Cl N2 P Rh -","- C43 H69 B2 Cl N2 P Rh -","- C86 H138 B4 Cl2 N4 P2 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0236","0.0221","","","0.0549","0.0561","","","","","","1.081","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558760","16.329","0.005","9.07","0.003","13.365","0.003","90","","110.285","0.005","90","","1856.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0497","0.0451","","","0.1197","0.1248","","","","","","1.022","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558761","18.735","0.007","25.249","0.011","8.208","0.004","90","","102.644","0.012","90","","3789","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H56 B Cl N P Rh -","- C39 H56 B Cl N P Rh -","- C156 H224 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0423","0.0271","","","0.0616","0.0659","","","","","","1.026","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558762","9.9075","0.0019","10.1161","0.0014","14.978","0.004","84.197","0.007","79.842","0.01","77.786","0.007","1441","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H48 B Cl N P2 Rh -","- C25 H48 B Cl N P2 Rh -","- C50 H96 B2 Cl2 N2 P4 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0192","0.0183","","","0.0472","0.0479","","","","","","1.062","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558763","11.621","0.003","38.859","0.007","14.802","0.004","90","","99.837","0.007","90","","6586","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 B Cl Fe N P2 Rh -","- C31 H48 B Cl Fe N P2 Rh -","- C248 H384 B8 Cl8 Fe8 N8 P16 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0307","0.0238","","","0.0467","0.0497","","","","","","1.063","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558764","9.831","0.006","19.14","0.009","19.599","0.01","90","","101.13","0.03","90","","3618","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 B2 Cl N O2 P2 Rh -","- C33 H55 B2 Cl N O2 P2 Rh -","- C132 H220 B8 Cl4 N4 O8 P8 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0626","0.0405","","","0.0811","0.0926","","","","","","1.049","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558765","10.096","0.003","18.272","0.009","28.341","0.002","90","","90","","90","","5228","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B Cl N P2 Rh -","- C22 H42 B Cl N P2 Rh -","- C176 H336 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.025","0.0226","","","0.0562","0.0578","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558766","13.118","0.005","14.618","0.008","28.215","0.01","90","","92.72","0.016","90","","5404","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 B Cl N P2 Rh -","- C23 H44 B Cl N P2 Rh -","- C184 H352 B8 Cl8 N8 P16 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0237","0.0223","","","0.0565","0.0575","","","","","","1.072","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558767","9.117","0.003","18.699","0.004","17.128","0.006","90","","92.047","0.016","90","","2918.1","1.5","101","2","101","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 B Cl N P2 Rh -","- C27 H44 B Cl N P2 Rh -","- C108 H176 B4 Cl4 N4 P8 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0222","0.0198","","","0.0464","0.0479","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558768","16.099","0.007","12.139","0.003","20.044","0.006","90","","96.049","0.012","90","","3895","2","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 B Cl F3 N2 P Rh -","- C39 H55 B Cl F3 N2 P Rh -","- C156 H220 B4 Cl4 F12 N8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0341","0.0276","","","0.0602","0.0636","","","","","","1.048","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558769","11.969","0.002","19.828","0.004","15.99","0.003","90","","91.168","0.006","90","","3794","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H61 B N5 Rh -","- C37 H61 B N5 Rh -","- C148 H244 B4 N20 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0237","0.0219","","","0.0507","0.0517","","","","","","1.057","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558770","12.67","0.008","11.135","0.006","13.004","0.008","90","","90","","90","","1834.6","1.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0484","0.039","","","0.0905","0.0961","","","","","","1.034","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558771","12.009","0.006","18.218","0.008","14.765","0.013","90","","107.74","0.02","90","","3077","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B N3 P Rh -","- C30 H52 B N3 P Rh -","- C120 H208 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0676","0.0443","","","0.0834","0.0922","","","","","","1.014","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558772","11.254","0.004","9.024","0.002","29.373","0.008","90","","98.317","0.013","90","","2951.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0553","0.0385","","","0.065","0.0688","","","","","","1.09","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558773","12.921","0.002","20.038","0.005","21.929","0.004","107.641","0.011","104.548","0.013","103.913","0.012","4919.1","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H147 B3 Cl3 N3 P6 Rh3 -","- C90 H146.999 B3 Cl3 N3 P6 Rh3 -","- C180 H293.998 B6 Cl6 N6 P12 Rh6 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0346","0.0302","","","0.0722","0.0753","","","","","","1.038","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558774","22.645","0.008","18.484","0.006","17.744","0.003","90","","122.497","0.008","90","","6264","3","101","2","101","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H47 B Cl N P2 Rh -","- C30 H47 B Cl N P2 Rh -","- C240 H376 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0295","0.0251","","","0.055","0.0574","","","","","","1.096","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558775","14.74","0.003","15.319","0.004","14.833","0.003","90","","116.828","0.009","90","","2988.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0438","0.0367","","","0.0929","0.0981","","","","","","1.057","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558776","11.06","0.003","18.039","0.003","17.701","0.002","90","","94.498","0.012","90","","3520.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B N5 Rh -","- C34 H55 B N5 Rh -","- C136 H220 B4 N20 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0292","0.0242","","","0.0547","0.0577","","","","","","1.072","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558777","11.529","0.004","16.437","0.005","18.831","0.005","90","","90","","90","","3568.5","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H60 B N3 P Rh -","- C34 H60 B N3 P Rh -","- C136 H240 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0305","0.0284","","","0.0695","0.0708","","","","","","1.053","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558778","21.577","0.005","8.0109","0.0019","34.845","0.008","90","","90","","90","","6023","2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C224 H408 B8 Cl8 N8 P8 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0695","0.053","","","0.1146","0.1221","","","","","","1.099","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558779","11.713","0.002","16.027","0.0019","20.498","0.004","90","","106.075","0.007","90","","3697.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H65 B N3 P Rh -","- C36 H65 B N3 P Rh -","- C144 H260 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0366","0.0288","","","0.0652","0.0692","","","","","","1.063","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558780","8.2066","0.0005","16.0484","0.001","5.6011","0.0003","90","","100.525","0.002","90","","725.27","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 -","- C16 H16 Br2 -","- C32 H32 Br4 -","2","0.5","","Gieuw, Matthew H.; Chen, Shuming; Ke, Zhihai; Houk, Kendall N.; Yeung, Ying-Yeung","Boron Tribromide as Reagent for Anti-Markovnikov Addition of HBr to Cyclopropanes","Chemical Science","2020","","","","","10.1039/D0SC02567D","","","0.71073","MoKα","","0.0258","0.0231","","","0.0637","0.0649","","","","","","1.166","","","","has coordinates","254817","2020-10-21","18:00:00",""
"1558781","10.2107","0.0002","10.2107","0.0002","43.1372","0.0013","90","","90","","90","","4497.42","0.18","170","0.1","170","0.1","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C27 H15 O21 Tb3 -","- C27 H15 O21 Tb3 -","- C108 H60 O84 Tb12 -","4","0.5","","Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian","Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning","Chemical Science","2020","","","","","10.1039/D0SC02856H","","x-ray","0.71073","MoKα","","0.0619","0.0575","","","0.1272","0.1285","","","","","","1.13","","","","has coordinates","254818","2020-10-21","18:00:00",""
"1558782","10.2191","0.0002","10.2191","0.0002","14.3738","0.0005","90","","90","","90","","1501.06","0.07","169.97","0.1","169.97","0.1","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H5 O7 Tb -","- C9 H5 O7 Tb -","- C36 H20 O28 Tb4 -","4","0.5","","Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian","Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning","Chemical Science","2020","","","","","10.1039/D0SC02856H","","x-ray","1.54184","CuKα","","0.0576","0.0536","","","0.121","0.1272","","","","","","1.178","","","","has coordinates,has disorder","254818","2020-10-21","18:00:00",""
"1558783","12.143","0.0005","7.3397","0.0003","9.2655","0.0005","90","","90","","90","","825.8","0.07","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Fluoromethyl)trimethylphosphonium iodide","","- C4 H11 F I P -","- C4 H11 F I P -","- C16 H44 F4 I4 P4 -","4","0.5","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0313","0.0223","","","0.046","0.0504","","","","","","1.102","","","","has coordinates,has disorder","257700","2020-10-21","18:00:00",""
"1558784","10.0648","0.0003","10.1439","0.0005","18.6453","0.0008","93.292","0.004","92.58","0.003","90.104","0.003","1898.53","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tris(diethylamino)fluoromethylphosphonium iodide","","- C13 H32 F I N3 P -","- C13 H32 F I N3 P -","- C52 H128 F4 I4 N12 P4 -","4","2","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0826","0.043","","","0.0717","0.086","","","","","","1.013","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558785","11.5552","0.0017","13.7077","0.0016","17.2666","0.0011","69.635","0.009","78.081","0.009","65.391","0.013","2325","0.5","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","(fluoromethyl)diphenylphosphine oxide","","- C13 H12 F O P -","- C13 H12 F O P -","- C104 H96 F8 O8 P8 -","8","4","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0929","0.0489","","","0.1157","0.1424","","","","","","1.016","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558786","8.7566","0.0002","9.3257","0.0003","17.2049","0.0005","90","","100.741","0.002","90","","1380.36","0.07","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(2-cyanoethyl)(fluoromethyl)phosphonium iodide","","- C10 H14 F I N3 P -","- C10 H14 F I N3 P -","- C40 H56 F4 I4 N12 P4 -","4","1","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0351","0.0241","","","0.0497","0.0547","","","","","","1.021","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558787","11.3894","0.0004","13.0313","0.0006","13.4302","0.0004","64.227","0.004","66.641","0.003","68.195","0.004","1599.41","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30.57 F I O1.28 P2 -","- C37 H30.568 F I O1.284 P2 -","- C74 H61.136 F2 I2 O2.568 P4 -","2","1","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0555","0.041","","","0.0929","0.102","","","","","","1.041","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558788","12.14978","0.00017","26.7382","0.0003","23.8054","0.0002","90","","94.0929","0.001","90","","7713.78","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.75 H23 F N3 O4.75 S -","- C17.75 H23 F N3 O4.75 S -","- C284 H368 F16 N48 O76 S16 -","16","8","","Zhao, Hongyi; Wang, Bin; Fu, Lei; Li, Gang; Lu, Haijia; Liu, Yuke; Sheng, Li; Li, Yan; Zhang, Baoxi; Lu, Yang; Ma, Chen; Huang, Haihong; Zhang, Dongfeng; Lu, Yu","The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00500","","","1.54184","CuKα","","0.0814","0.0553","","","0.1461","0.1723","","","","","","1.019","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558789","22.7995","0.0008","23.4951","0.0009","24.1703","0.0006","93.532","0.002","96.446","0.002","99.054","0.003","12663.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- B2 H129 Na9 O216 Si4 W40 Zr8 -","- B2 Na9 O216 Si4 W40 Zr8 -","- B4 Na18 O432 Si8 W80 Zr16 -","2","1","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.1256","0.0809","","","0.221","0.2583","","","","","","1.059","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558790","44.1472","0.0014","12.5213","0.0005","41.9116","0.0014","90","","90","","90","","23167.9","1.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- B6 H118 Na8 O216 Si4 W40 Zr8 -","- B6 Na8 O216 Si4 W40 Zr8 -","- B24 Na32 O864 Si16 W160 Zr32 -","4","0.25","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.0871","0.067","","","0.1548","0.1668","","","","","","1.091","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558791","11.7819","0.0002","20.9415","0.0005","21.9893","0.0006","67.484","0.002","82.137","0.002","88.158","0.002","4963.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H88 N8 O168 Si4 W40 Zr8 -","- C6 N4 O162 Si4 W40 Zr8 -","- C6 N4 O162 Si4 W40 Zr8 -","1","0.5","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.0943","0.0759","","","0.2037","0.2197","","","","","","1.044","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558792","9.4021","0.0003","13.6517","0.0003","24.7468","0.0006","95.613","0.0014","95.4022","0.0015","91.5873","0.0015","3144.91","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C132 H108 N24 O36 -","6","3","","Manes, Taylor A.; Imler, Gregory H.; Sullivan, Kyle T.; Bukovsky, Eric V.","Evaluating the bis-isoxazole core for energetic heterocyclic-based oligomers","Polymer Chemistry","2020","11","38","6149","6156","10.1039/D0PY00875C","","","1.54178","CuKα","","0.0905","0.0524","","","0.1474","0.1668","","","","","","1.033","","","","has coordinates","258994","2020-11-06","13:22:51",""
"1558793","9.9415","0.0001","15.8691","0.0003","10.216","0.0002","90","","118.805","0.001","90","","1412.28","0.04","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Integration","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C60 H40 Br8 N8 -","4","1","","O’SHEA, Donal F.; SOMMER, Roger D.; TANIGUCHI, Masahiko; LINDSEY, Jonathan S.","Crystal Structure of 1,9-Dibromo-5-phenyldipyrrin, Tetrapyrrole Synthesis Derivative and Free Base Ligand of BODIPY Building Blocks","X-ray Structure Analysis Online","2020","36","0","21","22","10.2116/xraystruct.36.21","","","0.7107","MoKα","","0.038","0.0266","","","0.0599","0.0653","","","","","","1.032","","","","has coordinates","258164","2020-10-21","18:00:00",""
"1558794","11.1387","0.0005","11.5941","0.0005","21.7622","0.0009","88.1955","0.0013","76.0524","0.0014","79.232","0.0011","2679.3","0.2","90","","90","","","","","","","","","7","P -1","-P 1","2","C33H33N6OCo2(C6F5CO2)2(ClO4)2(Et2O)","","","- C51 H43 Cl2 Co2 F10 N6 O14 -","- C51 H43 Cl2 Co2 F10 N6 O14 -","- C102 H86 Cl4 Co4 F20 N12 O28 -","2","1","","SHINDE, Naho; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu","Crystal Structure of (μ-Phenoxo)bis(μ-pentafluorobenzoate)dicobalt(II, III) Complex with a Dinucleating Ligand","X-ray Structure Analysis Online","2020","36","0","23","25","10.2116/xraystruct.36.23","","","1.54178","CuKα","","0.039","0.037","","","0.1004","0.1028","","","","","","1.036","","","","has coordinates,has disorder","258169","2020-10-21","18:00:00",""
"1558795","5.2255","0.0014","19.615","0.005","20.516","0.006","90","","96.921","0.006","90","","2087.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-Pyridine-silver nitrate","","","- C15 H15 Ag3 N6 O12 -","- C15 H15 Ag3 N6 O12 -","- C60 H60 Ag12 N24 O48 -","4","1","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0475","0.0337","","","0.0818","0.0949","","","","","","1.157","","","","has coordinates","255113","2020-10-21","18:00:00",""
"1558796","8.1664","0.0004","8.4103","0.0004","10.4848","0.0005","70.364","0.001","76.308","0.001","61.128","0.001","591.51","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ag N3 O5 -","- C10 H10 Ag N3 O5 -","- C20 H20 Ag2 N6 O10 -","2","1","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0251","0.0246","","","0.0663","0.0668","","","","","","1.094","","","","has coordinates","255114","2020-10-21","18:00:00",""
"1558797","22.493","0.0018","7.8119","0.0007","3.6817","0.0003","90","","91.727","0.003","90","","646.63","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H10 Ag N3 O5 -","- C12 H10 Ag N3 O5 -","- C24 H20 Ag2 N6 O10 -","2","0.5","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0192","0.0192","","","0.0448","0.0448","","","","","","1.112","","","","has coordinates","255115","2020-10-21","18:00:00",""
"1558798","15.36","0.0006","13.8978","0.0005","18.4909","0.0008","90","","103.452","0.0011","90","","3839","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B Fe N4 O2 -","- C46 H46 B Fe N4 O2 -","- C184 H184 B4 Fe4 N16 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.0569","0.0485","","","0.1201","0.1245","","","","","","1.091","","","","has coordinates","255120","2020-10-21","18:00:00",""
"1558799","11.7178","0.0013","36.427","0.004","16.1388","0.0017","90","","104.503","0.007","90","","6669.2","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H86 B2 Fe N6 O2 -","- C81 H86 B2 Fe N6 O2 -","- C324 H344 B8 Fe4 N24 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.1132","0.0645","","","0.1647","0.2157","","","","","","1.057","","","","has coordinates","255121","2020-10-21","18:00:00",""
"1558800","15.4749","0.0007","13.9637","0.0006","18.888","0.0009","90","","103.392","0.007","90","","3970.5","0.3","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B Fe N4 O2 -","- C46 H46 B Fe N4 O2 -","- C184 H184 B4 Fe4 N16 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.0598","0.0492","","","0.1205","0.1285","","","","","","1.117","","","","has coordinates","255123","2020-10-21","18:00:00",""
"1558801","11.5785","0.0004","36.8734","0.001","16.5868","0.0005","90","","103.385","0.007","90","","6889.2","0.4","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H86 B2 Fe N6 O2 -","- C81 H81 B2 Fe N6 O2 -","- C324 H324 B8 Fe4 N24 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.135","0.0673","","","0.1473","0.1747","","","","","","1.011","","","","has coordinates","255124","2020-10-21","18:00:00",""
"1558802","5.5972","0.0002","15.0183","0.0006","16.7717","0.0006","90","","90","","90","","1409.84","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Konstantinova, Lidia S.; Tolmachev, Mikhail A.; Popov, Vadim V.; Rakitin, Oleg A.","Ethyl 11a,12-Dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate","Molbank","2020","2020","3","M1149","","10.3390/M1149","","","0.71073","MoKα","","0.0423","0.0345","","","0.0855","0.0914","","","","","","1.04","","","","has coordinates","255133","2020-10-21","18:00:00",""
"1558803","7.46458","0.00013","17.4351","0.0003","10.11223","0.00013","90","","99.0427","0.0014","90","","1299.71","0.04","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 Fe N2 Si -","- C26 H38 Fe N2 Si -","- C52 H76 Fe2 N4 Si2 -","2","0.5","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","1.54184","CuKα","","0.032","0.0303","","","0.085","0.0864","","","","","","1.063","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558804","12.7212","0.0004","13.5703","0.0004","14.5849","0.0005","73.777","0.002","85.65","0.003","86.169","0.002","2407.84","0.14","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H74.63 Fe K N2 O7.5 Si -","- C44 H74.626 Fe K N2 O7.5 Si -","- C88 H149.252 Fe2 K2 N4 O15 Si2 -","2","1","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","0.71073","MoKα","","0.0481","0.0419","","","0.1003","0.1033","","","","","","1.034","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558805","15.284","0.0003","14.0745","0.0003","22.2861","0.0004","90","","94.457","0.002","90","","4779.57","0.16","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H70 Fe2 N4 S Si -","- C50.5 H70 Fe2 N4 S Si -","- C202 H280 Fe8 N16 S4 Si4 -","4","1","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","0.71073","MoKα","","0.0449","0.0307","","","0.0785","0.087","","","","","","1.092","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558806","6.2396","0.0002","23.7102","0.0007","9.2667","0.0003","90","","96.545","0.003","90","","1362","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem","Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity","Chemical Science","2020","","","","","10.1039/D0SC03647A","","","0.71075","MoKα","","0.0429","0.0389","","","0.1064","0.1088","","","","","","1.074","","","","has coordinates","255149","2020-10-21","18:00:00",""
"1558807","13.0644","0.001","7.055","0.0006","17.3068","0.0015","90","","94.551","0.002","90","","1590.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 N O -","- C18 H17 Br2 N O -","- C72 H68 Br8 N4 O4 -","4","1","","Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem","Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity","Chemical Science","2020","","","","","10.1039/D0SC03647A","","","0.71073","MoKα","","0.0545","0.04","","","0.0923","0.0979","","","","","","1.05","","","","has coordinates","255149","2020-10-21","18:00:00",""
"1558808","17.1885","0.0008","18.1907","0.0008","19.2773","0.0008","67.867","0.004","83.882","0.004","83.88","0.004","5537","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","A2L3Zn2","","","- C193 H180 F21 N28 O21 S19 Zn4 -","- C193 H180 F21 N28 O21 S19 Zn4 -","- C193 H180 F21 N28 O21 S19 Zn4 -","1","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.1225","0.0951","","","0.2656","0.2974","","","","","","1.036","","","","has coordinates,has disorder","255150","2020-10-21","18:00:00",""
"1558809","17.6556","0.0011","18.0529","0.0012","19.857","0.002","78.743","0.008","75.912","0.008","79.512","0.005","5960.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H105 Cd2 F12 N15 O12 S10 -","- C105 H105 Cd2 F12 N15 O12 S10 -","- C210 H210 Cd4 F24 N30 O24 S20 -","2","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.2064","0.1205","","","0.2045","0.2296","","","","","","1.034","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558810","21.3852","0.0006","18.216","0.0003","28.8807","0.0004","90","","91.739","0.002","90","","11245.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","A2L3Zn2-uv","","","- C97 H90 F12 N14 O12 S10 Zn2 -","- C97 H90 F12 N14 O12 S10 Zn2 -","- C388 H360 F48 N56 O48 S40 Zn8 -","4","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.1109","0.0914","","","0.2692","0.3","","","","","","1.048","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558811","21.057","0.0009","15.0503","0.0003","34.322","0.003","90","","90.522","0.006","90","","10876.7","1.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","A2L3-R","","","- C93 H102 N14 S6 -","- C93 H102 N14 S6 -","- C372 H408 N56 S24 -","4","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.2304","0.2016","","","0.4995","0.5148","","","","","","0.906","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558812","24.6968","0.0007","9.9776","0.0003","9.3115","0.0002","90","","93.975","0.002","90","","2288.97","0.11","161","17","161","17","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O2 S2 -","- C27 H22 N2 O2 S2 -","- C108 H88 N8 O8 S8 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.0367","0.0345","","","0.0928","0.0947","","","","","","1.056","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558813","22.315","0.0013","12.4269","0.0005","8.2043","0.0005","90","","92.884","0.005","90","","2272.2","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C-PADTE","","","- C27 H22 N2 O2 S2 -","- C27 H22 N2 O2 S2 -","- C108 H88 N8 O8 S8 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.0819","0.0624","","","0.1505","0.1658","","","","","","1.034","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558814","13.5418","0.0001","13.5418","0.0001","66.0707","0.0008","90","","90","","90","","12116.1","0.19","150","0.1","150","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","A2L3Cd2","","","- C109 H111 Cd2 F12 N17 O12 S10 -","- C109 H111 Cd2 F12 N17 O12 S10 -","- C436 H444 Cd8 F48 N68 O48 S40 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.1046","0.0978","","","0.261","0.2706","","","","","","1.024","","","","has coordinates,has disorder","255150","2020-10-21","18:00:00",""
"1558815","10.534","0.002","10.545","0.002","11.217","0.002","90","","90","","90","","1246","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Trichloridosulfonium(IV) hexachloridouranate(V)","Trichloridosulfonium(IV) hexachloridouranate(V)","","- Cl9 S U -","- Cl9 S U -","- Cl36 S4 U4 -","4","1","WM4134","Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian","Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~]","IUCrData","2020","5","7","x200960","","10.1107/S2414314620009608","","","0.71073","MoKα","","0.0201","0.0194","","","0.0432","0.0434","","","","","","1.08","","","","has coordinates,has Fobs","255164","2020-10-21","18:00:00",""
"1558816","7.191","0.005","8.698","0.005","10.987","0.005","112.289","0.005","92.827","0.005","101.656","0.005","616.7","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","1","0.5","WM4132","Ibragimov, Avazbek","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","IUCrData","2020","5","7","x200843","","10.1107/S2414314620008433","","","1.54184","CuKα","","0.0342","0.0327","","","0.0846","0.0864","","","","","","1.06","","","","has coordinates,has Fobs","255165","2020-10-21","18:00:00",""
"1558817","10.479","0.002","10.076","0.002","34.499","0.007","90","","93.585","0.006","90","","3635.5","1.2","233","2","233","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C38.5 H57 O5.5 -","- C37 H54 O5 -","- C148 H216 O20 -","4","1","","Marchbank, Douglas H.; Ptycia-Lamky, Vernon C.; Decken, Andreas; Haltli, Bradley A.; Kerr, Russell G.","Guanahanolide A, a Meroterpenoid with a Sesterterpene Skeleton from Coral-Derived Streptomyces sp.","Organic Letters","2020","","","","","10.1021/acs.orglett.0c02208","","x-ray","0.71073","MoKα","","0.0679","0.0449","","","0.1082","0.1219","","","","","","1.017","","","","has coordinates","255191","2020-10-21","18:00:00",""
"1558818","7.8041","0.0006","22.8879","0.0016","25.267","0.0016","90","","90","","90","","4513.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","HB4356","Shripanavar, Chetan Shrimandhar; Butcher, Ray J.","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","IUCrData","2020","5","8","x201060","","10.1107/S2414314620010603","","","0.71073","MoKα","","0.1314","0.0688","","","0.1184","0.1356","","","","","","0.93","","","","has coordinates,has Fobs","255207","2020-10-21","18:00:00",""
"1558819","10.0128","0.0019","19.991","0.004","18.021","0.003","90","","100.403","0.002","90","","3547.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H96 K2 O14 -","- C80 H96 K2 O14 -","- C160 H192 K4 O28 -","2","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.0891","0.0541","","","0.0971","0.1099","","","","","","1.077","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558820","13.362","0.0005","14.3577","0.0005","19.7293","0.0007","104.73","0.001","103.035","0.001","108.151","0.001","3281.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H184 K2 O27 -","- C136 H144 K2 O22 -","- C136 H144 K2 O22 -","1","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","x-ray","0.61992","synchrotron","","0.0852","0.0794","","","0.2462","0.2534","","","","","","1.066","","","","has coordinates","255226","2020-10-21","18:00:00",""
"1558821","16.905","0.0016","18.2916","0.0017","24.694","0.002","90","","90","","90","","7635.9","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C92 H104 K2 O14 -","- C92 H104 K2 O14 -","- C368 H416 K8 O56 -","4","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.1086","0.0698","","","0.1308","0.1455","","","","","","1.089","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558822","7.0648","0.0004","26.4382","0.0014","45.215","0.003","90","","90","","90","","8445.3","0.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Fe2(bdp)3(DMF)0.58","Fe2(bdp)3","","- C39.44 H32.02 Fe2 N13.14 O1.15 -","- C39.432 H32.008 Fe2 N13.144 O1.144 -","- C315.456 H256.064 Fe16 N105.152 O9.152 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.8856","synchrotron","","0.0857","0.0718","","","0.2025","0.2123","","","","","","1.141","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558823","7.0813","0.0016","26.493","0.007","45.483","0.012","90","","90","","90","","8533","4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Na0.5Fe2(bdp)3","Na0.5Fe2(bdp)3","","- C36 H24 Fe2 N12 Na0.51 -","- C36 H24 Fe2 N12 Na0.492 -","- C288 H192 Fe16 N96 Na3.936 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0674","0.0542","","","0.158","0.1677","","","","","","1.099","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558824","7.081","0.003","26.535","0.009","45.388","0.019","90","","90","","90","","8528","6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","K2Fe2(bdp)3","K2Fe2(bdp)3","","- C36 H24 Fe2 K2.01 N12 -","- C36 H24 Fe2 K2.04 N12 -","- C288 H192 Fe16 K16.32 N96 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0606","0.0504","","","0.1394","0.1457","","","","","","1.143","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558825","7.0835","0.0003","26.4668","0.0012","45.398","0.002","90","","90","","90","","8511.1","0.6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Na2Fe2(bdp)3","Na2Fe2(bdp)3","","- C36 H24 Fe2 N12 Na2.04 -","- C36 H24 Fe2 N12 Na2.06 -","- C288 H192 Fe16 N96 Na16.48 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0713","0.0568","","","0.1618","0.1747","","","","","","1.08","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558826","7.0748","0.0003","26.4454","0.0009","45.3279","0.0017","90","","90","","90","","8480.7","0.6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Li2Fe2(bdp)3","Li2Fe2(bdp)3","","- C36 H24 Fe2 Li2 N12 -","- C36 H24 Fe2 Li2 N12 -","- C288 H192 Fe16 Li16 N96 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0731","0.0599","","","0.1766","0.1918","","","","","","1.166","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558827","11.823","0.011","14.91","0.02","17.77","0.03","66.73","0.06","84.29","0.05","75.73","0.05","2789","7","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N3 O4 S2 -","- C17 H21 N3 O4 S2 -","- C102 H126 N18 O24 S12 -","6","3","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","neutron","1.54178","CuKα","","0.0743","0.0605","","","0.1656","0.1779","","","","","","1.045","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558828","8.685","0.003","8.736","0.004","9.845","0.004","93.793","0.012","115.772","0.009","100.572","0.012","652.2","0.5","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C26 H32 N4 O6 S2 -","2","1","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","x-ray","0.71073","MoKα","","0.0564","0.0377","","","0.0925","0.099","","","","","","1.024","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558829","9.3649","0.0006","16.1291","0.0011","15.8386","0.0008","90","","103.398","0.002","90","","2327.3","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N4 O5 S3 -","- C21 H26 N4 O5 S3 -","- C84 H104 N16 O20 S12 -","4","1","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","x-ray","0.71073","MoKα","","0.0708","0.0376","","","0.0751","0.0802","","","","","","0.997","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558830","8.336","0.0002","10.178","0.0003","16.326","0.0004","82.284","0.002","76.557","0.002","87.081","0.002","1334.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","2","","Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A.","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","IUCrData","2020","5","8","x201005","","10.1107/S2414314620010056","","","0.71073","MoKα","","0.0723","0.0567","","","0.1687","0.1837","","","","","","1.06","","","","has coordinates","255258","2020-10-21","18:00:00",""
"1558831","12.0239","0.0006","7.1317","0.0003","12.6836","0.0007","90","","101.104","0.004","90","","1067.27","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","","- C11 H16 N2 Se -","- C11 H16 N2 Se -","- C44 H64 N8 Se4 -","4","1","HB4354","Detert, Heiner; Schollmeyer, Dieter","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","IUCrData","2020","5","8","x201081","","10.1107/S2414314620010810","","","0.71073","MoKα","","0.0385","0.0348","","","0.0927","0.0965","","","","","","1.099","","","","has coordinates,has Fobs","255259","2020-10-21","18:00:00",""
"1558832","10.4796","0.0005","14.267","0.0006","17.0118","0.0008","96.742","0.004","90.464","0.004","101.225","0.004","2476.3","0.2","89.9","0.4","89.9","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2 -","- C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2 -","- C60.7 H85.4 Ag2 Cl1.4 F12 O8 P16 Sb2 Ta4 -","2","1","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","1.54178","CuKα","","0.0907","0.0671","","","0.1705","0.1823","","","","","","0.996","","","","has coordinates,has disorder","255277","2020-10-21","18:00:00",""
"1558833","19.22628","0.00009","19.22628","0.00009","26.5819","0.0002","90","","90","","90","","9826","0.1","89.9","0.4","89.9","0.4","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C240 H336 Ag16 F96 O32 P64 Sb16 Ta16 -","16","2","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","1.54178","CuKα","","0.036","0.03","","","0.0611","0.062","","","","","","0.951","","","","has coordinates","255277","2020-10-21","18:00:00",""
"1558834","17.95491","0.00012","22.5635","0.00018","38.3495","0.0004","81.1581","0.0007","78.416","0.0007","73.772","0.0007","14534.6","0.2","80","2","80","2","","","","","","","","11","P -1","-P 1","2","","","","- C164.25 H238.5 Ag8 Cl7.5 F48 N9 O16 P36 Sb8 Se3 Ta8 -","- C164.25 H238.5 Ag8 Cl7.5 F46.995 N9 O16 P36 Sb7.9975 Se3 Ta8 -","- C328.5 H477 Ag16 Cl15 F93.99 N18 O32 P72 Sb15.995 Se6 Ta16 -","2","1","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","0.6888","synchrotron","","0.0954","0.0895","","","0.2777","0.2874","","","","","","1.085","","","","has coordinates,has disorder","255277","2020-10-21","18:00:00",""
"1558835","16.5576","0.0006","13.6347","0.0006","35.072","0.0016","90","","90","","90","","7917.8","0.6","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H90 Br6 N14 O10 Zn3 -","- C64 H90 Br6 N14 O10 Zn3 -","- C256 H360 Br24 N56 O40 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.064","0.0539","","","0.1291","0.1386","","","","","","1.043","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558836","33.1022","0.0015","13.6273","0.0004","16.0057","0.0005","90","","90","","90","","7220.1","0.5","173","2","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H78 Br6 N10 O10 Zn3 -","- C60 H78 Br6 N10 O10 Zn3 -","- C240 H312 Br24 N40 O40 Zn12 -","4","0.5","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","1.54184","CuKα","","0.0829","0.0661","","","0.1293","0.1365","","","","","","1.158","","","","has coordinates,has disorder","257401","2020-10-21","18:00:00",""
"1558837","15.889","0.002","13.4934","0.0013","33.29","0.008","90","","90","","90","","7137","2","100","0.6","100","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H62 Br6 N6 O8 Zn3 -","- C50 H62 Br6 N6 O8 Zn3 -","- C200 H248 Br24 N24 O32 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1326","0.1125","","","0.2757","0.2923","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558838","15.659","0.003","13.6267","0.0018","32.01","0.002","90","","90","","90","","6830.3","1.6","99.9","0.6","99.9","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1333","0.1275","","","0.2571","0.26","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558839","15.4998","0.0006","25.3392","0.0011","27.2058","0.0008","90","","90","","90","","10685.1","0.7","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Br6 N8 O6 Zn3 -","- C44 H48 Br6 N8 O6 Zn3 -","- C352 H384 Br48 N64 O48 Zn24 -","8","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.1292","0.0708","","","0.1452","0.1698","","","","","","1.052","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558840","16.3631","0.0003","13.1544","0.0002","30.779","0.0005","90","","90","","90","","6625.08","0.19","100","0.7","100","0.7","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1197","0.1073","","","0.2277","0.2351","","","","","","1.038","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558841","11.942","0.0019","16.17","0.0017","17.035","0.003","63.651","0.015","79.41","0.07","78.27","0.02","2869.7","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Charles4 (Sinai)","NiAAEMA","","- C100 H122 Ni6 O54 -","- C100 H122 Ni6 O54 -","- C100 H122 Ni6 O54 -","1","0.5","","Zhang, Xinyue; Vidavsky, Yuval; Aharonovich, Sinai; Yang, Steven J.; Buche, Michael R.; Diesendruck, Charles E.; Silberstein, Meredith N.","Bridging experiments and theory: isolating the effects of metal-ligand interactions on viscoelasticity of reversible polymer networks.","Soft matter","2020","16","37","8591","8601","10.1039/d0sm01115k","","","0.71073","MoKα","","0.0754","0.0634","","","0.1499","0.1561","","","","","","1.091","","","","has coordinates,has disorder","258149","2020-10-21","18:00:00",""
"1558842","4.9815","0.0002","30.3259","0.0019","8.9413","0.0004","90","","93.776","0.004","90","","1347.82","0.12","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nicotineamide adipic","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Germann, Luzia S.; Arhangelskis, Mihails; Etter, Martin; Dinnebier, Robert E.; Friščić, Tomislav","Challenging the Ostwald rule of stages in mechanochemical cocrystallisation","Chemical Science","2020","","","","","10.1039/D0SC03629C","powder diffraction","","1.5406","CuKα~1~","","0.99","","","","","","","","5.79","","","","","","","has coordinates","255301","2020-10-21","18:00:00",""
"1558843","21.23","0.002","14.206","0.001","18.083","0.002","90","","124.97","0.004","90","","4469.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 F10 N2 O Ta2 -","- C32 H72 F10 N2 O Ta2 -","- C128 H288 F40 N8 O4 Ta8 -","4","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.0966","0.0439","","","0.076","0.0963","","","","","","1.152","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558844","9.8905","0.0007","14.2131","0.0007","15.3276","0.0015","90","","91.104","0.006","90","","2154.3","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 F6 N Ta -","- C16 H36 F6 N Ta -","- C64 H144 F24 N4 Ta4 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.0617","0.0539","","","0.1654","0.1771","","","","","","1.163","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558845","7.8356","0.0009","10.993","0.001","13.558","0.002","90.28","0.01","80.09","0.01","77.836","0.008","1123.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 F10 O Se12 Ta2 -","- C30 H36 F10 O Se12 Ta2 -","- C30 H36 F10 O Se12 Ta2 -","1","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.052","0.0287","","","0.0544","0.0617","","","","","","1.087","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558846","7.813","0.0001","10.96","0.001","13.091","0.001","86.153","0.007","78.048","0.004","77.49","0.01","1070.36","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 F10 O S12 Ta2 -","- C30 H36 F10 O S12 Ta2 -","- C30 H36 F10 O S12 Ta2 -","1","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.0561","0.0367","","","0.1062","0.1277","","","","","","1.078","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558847","12.5633","0.0006","10.7252","0.0009","34.292","0.002","90","","93.226","0.005","90","","4613.3","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F10 O S18 Ta2 -","- C30 H30 F10 O S18 Ta2 -","- C120 H120 F40 O4 S72 Ta8 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.163","0.0952","","","0.2044","0.2456","","","","","","1.046","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558848","12.615","0.001","11.984","0.001","16.747","0.001","90","","90.234","0.009","90","","2531.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H24 F10 O S24 Ta2 -","- C30 H24 F10 O S24 Ta2 -","- C60 H48 F20 O2 S48 Ta4 -","2","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.2169","0.065","","","0.074","0.0942","","","","","","0.961","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558849","10.8773","0.0002","12.6267","0.0002","34.4236","0.0008","90","","90","","90","","4727.89","0.16","295","0.3","295","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 F10 O S18 Ta2 -","- C30 H30 F10 O S18 Ta2 -","- C120 H120 F40 O4 S72 Ta8 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.0545","0.0438","","","0.1004","0.1072","","","","","","1.067","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558850","6.9513","0.0019","20.343","0.007","22.59","0.006","90","","90","","90","","3194.5","1.6","100","","100.1","","","","","","","","","4","I m m m","-I 2 2","71","","Ph4PDI_PXX","","- C78 H56 N2 O6 -","- C77 H57 N2 O6 -","- C154 H114 N4 O12 -","2","0.125","","Wasielewski, Michael R.; Schlesinger, Itai; Powers-Riggs, Natalia E; Logsdon, Jenna L.; Qi, Yue; Miller, Stephen A.; Tempelaar, Roel; Young, Ryan Michael","Charge-Transfer Biexciton Annihilation in a Donor-Acceptor Co-crystal yields High-Energy Long-Lived Charge Carriers","Chemical Science","2020","","","","","10.1039/D0SC03301D","","","1.54178","CuKα","","0.138","0.1087","","","0.3982","0.4373","","","","","","1.881","","","","has coordinates,has disorder","255303","2020-10-21","18:00:00",""
"1558851","10.7961","0.0004","11.0539","0.0005","13.2535","0.0006","92.008","0.002","113.595","0.002","110.629","0.002","1327.6","0.1","143","2","143","2","","","","","","","","5","P -1","-P 1","2","[Co(II)(TBDAP)(Hydroxamate)](NO3)","","","- C24 H36 Co N6 O5 -","- C24 H36 Co N6 O5 -","- C48 H72 Co2 N12 O10 -","2","1","","Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung","Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes","Chemical Science","2020","","","","","10.1039/D0SC02676J","","","0.71073","MoKa","","0.0519","0.0371","","","0.081","0.0909","","","","","","1.047","","","","has coordinates","255304","2020-10-21","18:00:00",""
"1558852","11.26","0.018","11.588","0.019","14.33","0.02","69.62","0.06","75.44","0.03","80.18","0.07","1689","5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[Zn(Me3-TACN)(CH3C(O)NHO)](NO3)","","","- C36 H49 B N4 O3 Zn -","- C36 H49 B N4 O3 Zn -","- C72 H98 B2 N8 O6 Zn2 -","2","1","","Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung","Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes","Chemical Science","2020","","","","","10.1039/D0SC02676J","","","0.71073","MoKa","","0.082","0.0448","","","0.1129","0.1364","","","","","","0.825","","","","has coordinates","255304","2020-10-21","18:00:00",""
"1558853","9.3137","0.0011","19.52","0.002","13.6482","0.0016","90","","94.3","0.002","90","","2474.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(4-([2,2':6',2''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.1313","0.052","","","0.1078","0.1381","","","","","","0.981","","","","has coordinates","258150","2020-10-21","18:00:00",""
"1558854","9.449","0.003","10.758","0.003","13.327","0.004","96.653","0.006","98.071","0.006","112.124","0.006","1221.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","10-(4-([4,2':6',4''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C66 H44 N8 O2 -","2","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.167","0.06","","","0.1312","0.1638","","","","","","0.896","","","","has coordinates","258150","2020-10-21","18:00:00",""
"1558855","8.7779","0.0003","12.5445","0.0004","14.1754","0.0005","71.713","0.002","82.118","0.002","73.527","0.002","1419.26","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","10-(4-([3,2':6',3''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C37 H30 N4 O2 -","- C37 H30 N4 O2 -","- C74 H60 N8 O4 -","2","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.099","0.0732","","","0.1943","0.2134","","","","","","1.034","","","","has coordinates","258150","2020-10-21","18:00:00",""
"1558856","12.9977","0.0003","9.61","0.0002","15.9499","0.0004","90","","111.677","0.003","90","","1851.38","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H44 O7 -","- C42 H44 O7 -","- C84 H88 O14 -","2","1","","Atilaw, Yoseph; Muiva-Mutisya, Lois; Bogaerts, Jonathan; Duffy, Sandra; Valkonen, Arto; Heydenreich, Matthias; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté; Yenesew, Abiy","Prenylated Flavonoids from the Roots of <i>Tephrosia rhodesica</i>.","Journal of natural products","2020","83","8","2390","2398","10.1021/acs.jnatprod.0c00245","","","1.54184","CuKα","","0.039","0.0353","","","0.0866","0.0888","","","","","","1.035","","","","has coordinates","255874","2020-10-21","18:00:00",""
"1558857","25.07149","0.00013","25.07149","0.00013","11.09028","0.00007","90","","90","","120","","6037.17","0.06","123","","123","","","","","","","","","2","R 3 :H","R 3","146","","","","- C25 H13 -","- C25 H13 -","- C225 H117 -","9","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0594","0.0593","","","0.1696","0.1699","","","","","","1.085","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558858","11.6264","0.0002","30.039","0.0004","26.9101","0.0004","90","","90","","90","","9398.2","0.2","123","","123","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C50 H28 -","- C50 H28 -","- C400 H224 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0678","0.0619","","","0.1934","0.1999","","","","","","1.043","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558859","23.1826","0.0001","23.1826","0.0001","44.5679","0.0005","90","","90","","90","","23952.3","0.3","123","","123","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C132 H78 -","- C132 H78 -","- C1056 H624 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0855","0.065","","","0.1795","0.1963","","","","","","1.045","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558860","5.3477","0.0004","26.6084","0.0018","7.7367","0.0005","90","","106.715","0.002","90","","1054.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","","- C18 H22 Ca O12 -","- C18 H22 Ca O12 -","- C36 H44 Ca2 O24 -","2","0.5","HB4355","Camargo-Cortés, Esmit B.; Acosta, Mirna; Martínez, Juan C.; Pineda, Leslie W.","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","IUCrData","2020","5","8","x201092","","10.1107/S2414314620010925","","","0.71073","MoKα","","0.0613","0.057","","","0.1318","0.1332","","","","","","1.385","","","","has coordinates,has Fobs","255344","2020-10-21","18:00:00",""
"1558861","7.5298","0.0004","13.7545","0.0007","14.0687","0.0006","119.276","0.004","101.02","0.006","89.974","0.006","1240.15","0.12","300","","300.15","","","","","","","","","6","P -1","-P 1","2","RbCo[W(CN)8](3CNpy)2_HT_phase","RbCoW_3CNpy_HT_phase","","- C20 H8 Co N12 Rb W -","- C20 H8 Co N12 Rb W -","- C40 H16 Co2 N24 Rb2 W2 -","2","1","","Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi","Extremely low-frequency phonon material and its temperature- and photo-induced switching effects","Chemical Science","2020","","","","","10.1039/D0SC02605K","","","0.71073","MoKα","","0.1152","0.0829","","","0.126","0.1352","","","","","","1.14","","","","has coordinates,has disorder","255412","2020-10-21","18:00:00",""
"1558862","7.2253","0.0014","13.34","0.003","13.839","0.003","118.671","0.008","100.497","0.007","90.1","0.006","1144.6","0.4","130","2","130.15","","","","","","","","","6","P -1","-P 1","2","RbCo[W(CN)8](3CNpy)2_LT_phase","RbCoW3CNpy_LT_phase","","- C20 H8 Co N12 Rb W -","- C20 H8 Co N12 Rb W -","- C40 H16 Co2 N24 Rb2 W2 -","2","1","","Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi","Extremely low-frequency phonon material and its temperature- and photo-induced switching effects","Chemical Science","2020","","","","","10.1039/D0SC02605K","","","0.71075","MoKα","","0.1424","0.1105","","","0.169","0.1797","","","","","","1.172","","","","has coordinates,has disorder","255412","2020-10-21","18:00:00",""
"1558863","41.171","0.005","41.171","0.005","41.171","0.005","90","","90","","90","","69787","15","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O43 S6 -","- C360 H648 Au36 Co24 N72 Na40 O516 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1915","0.097","","","0.2577","0.3054","","","","","","0.885","","","","has coordinates,has disorder","255413","2020-10-21","18:00:00",""
"1558864","41.407","0.003","41.407","0.003","41.407","0.003","90","","90","","90","","70994","9","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O45 S6 -","- C360 H648 Au36 Co24 N72 Na40 O540 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","0.4248","synchrotron","","0.0907","0.0479","","","0.0941","0.1093","","","","","","0.923","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1558865","39.2235","0.0011","39.2235","0.0011","39.2235","0.0011","90","","90","","90","","60345","3","100","2","100","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C30 H54 Au3 Co2 N6 Na3.33 O28 S6 -","- C30 H54 Au3 Co2 N6 Na3.33327 O28.0001 S6 -","- C720 H1296 Au72 Co48 N144 Na79.9984 O672.002 S144 -","24","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","0.4248","synchrotron","","0.0215","0.0213","","","0.0545","0.0548","","","","","","1.081","","","","has coordinates,has disorder","255413","2020-10-21","18:00:00",""
"1558866","48.57","0.008","28.05","0.008","52.051","0.01","90","0.04","97.93","0.04","90","0.03","70236","3","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C1512 H2452 Au36 Co24 N72 Na40 O1206 S72 -","4","1","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1974","0.0809","","","0.1746","0.2033","","","","","","0.866","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1558867","16.896","0.003","9.1399","0.0018","14.033","0.003","90","","90","","90","","2167.1","0.7","300","","300","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl6 Cs5 Cu3 I2 -","- Cl6 Cs5 Cu3 I2 -","- Cl24 Cs20 Cu12 I8 -","4","0.25","","Jiangwei Li, Takeshi Inoshita, Tianping Ying, Atsushi Ooishi, Junghwan Kim, Hideo Hosono","A Highly Efficient and Stable Blue-Emitting Cs5Cu3Cl6I2 with a 1D Chain Structure","Advanced Materials","2020","","","2002945","","","","x-ray","0.71073","MoKα","","0.0289","0.0278","","","0.0656","0.0662","","","","","","1.245","","","","has coordinates","255446","2020-10-21","18:00:00",""
"1558868","12.3698","0.0015","6.6167","0.0008","11.7758","0.0014","90","","93.553","0.003","90","","962","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Mg N2 O14 -","- C12 H24 Mg N2 O14 -","- C24 H48 Mg2 N4 O28 -","2","0.5","","Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.","Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction","The Journal of Physical Chemistry C","2020","124","35","19157","19165","10.1021/acs.jpcc.0c06237","","","1.54178","CuKα","","0.0418","0.0414","","","0.1124","0.1128","","","","","","0.965","","","","has coordinates","257158","2020-10-21","18:00:00",""
"1558869","13.1605","0.0012","3.6268","0.0003","16.9855","0.0015","90","","93.414","0.005","90","","809.29","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ca N2 O10 -","- C12 H12 Ca N2 O10 -","- C24 H24 Ca2 N4 O20 -","2","0.5","","Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.","Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction","The Journal of Physical Chemistry C","2020","124","35","19157","19165","10.1021/acs.jpcc.0c06237","","","1.54178","CuKα","","0.0408","0.0402","","","0.1108","0.1113","","","","","","1.079","","","","has coordinates","257158","2020-10-21","18:00:00",""
"1558870","11.3771","0.001","8.7126","0.0006","10.1258","0.0008","90","","107.359","0.009","90","","958","0.14","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C36 H56 O16 -","4","1","","Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata","A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity","Chemical Science","2020","","","","","10.1039/D0SC03144E","","x-ray","0.71073","MoKα","","0.0874","0.0557","","","0.12","0.1444","","","","","","1.053","","","","has coordinates","255461","2020-10-21","18:00:00",""
"1558871","11.4234","0.0004","12.9659","0.0005","15.7183","0.0006","90.714","0.003","97.035","0.003","107.564","0.004","2199.86","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 O12 Pd3 -","- C36 H66 O12 Pd3 -","- C72 H132 O24 Pd6 -","2","1","","Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata","A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity","Chemical Science","2020","","","","","10.1039/D0SC03144E","","x-ray","0.71073","MoKα","","0.0437","0.0321","","","0.067","0.0736","","","","","","1.036","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558872","8.4648","0.0001","15.9282","0.0002","16.6678","0.0002","90","","90","","90","","2247.3","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N3 O6 -","- C23 H24 Cl N3 O6 -","- C92 H96 Cl4 N12 O24 -","4","1","","Cala, Lara; Villar, Pedro; de Lera, Ángel R.; Fañanás, Francisco J.; Álvarez, Rosana; Rodríguez, Félix","Multicomponent and multicatalytic asymmetric synthesis of furo[2,3-b]pyrrole derivatives: further insights into the mode of action of chiral phosphoric acid catalysts","Chemical Science","2020","","","","","10.1039/D0SC03342A","","x-ray","1.54184","CuKα","","0.0271","0.0266","","","0.0678","0.0683","","","","","","1.069","","","","has coordinates","255462","2020-10-21","18:00:00",""
"1558873","19.0452","0.0004","7.53882","0.00012","18.2425","0.0004","90","","110.706","0.002","90","","2450.04","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl F3 N2 O3 -","- C24 H36 Cl F3.0009 N2 O3 -","- C96 H144 Cl4 F12.0036 N8 O12 -","4","1","","Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael","Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter","Chemical Science","2020","","","","","10.1039/D0SC02777D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0458","0.0394","","","0.1019","0.1066","","","","","","1.066","","","","has coordinates,has disorder","255463","2020-10-21","18:00:00",""
"1558874","10.4481","0.0003","13.0857","0.0004","21.6967","0.0008","90.279","0.003","98.533","0.003","100.758","0.002","2880.37","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Cl F3 N3 O4 -","- C27 H43 Cl F3 N3 O4 -","- C108 H172 Cl4 F12 N12 O16 -","4","2","","Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael","Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter","Chemical Science","2020","","","","","10.1039/D0SC02777D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0549","0.0406","","","0.1042","0.1141","","","","","","1.027","","","","has coordinates,has disorder","255463","2020-10-21","18:00:00",""
"1558879","12.7945","0.0018","26.092","0.004","11.4869","0.0016","90","","90","","90","","3834.7","1","297","2","297","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C160 H256 O32 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0679","0.0539","","","0.1447","0.1565","","","","","","1.056","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558880","7.7113","0.0002","10.3066","0.0002","12.1791","0.0003","90","","97.215","0.001","90","","960.3","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0552","0.0507","","","0.1336","0.1382","","","","","","1.081","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1558881","7.617","0.0002","11.8104","0.0003","22.6071","0.0006","90","","90","","90","","2033.73","0.09","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl O5 -","- C20 H31 Cl O5 -","- C80 H124 Cl4 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0487","0.0467","","","0.1338","0.1366","","","","","","1.083","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558882","7.2621","0.0008","12.6474","0.001","10.7864","0.0012","90","","99.188","0.002","90","","977.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C42 H68 O10 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0904","0.0627","","","0.1366","0.157","","","","","","1.042","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558883","25.917","0.003","12.6548","0.0016","13.9501","0.0015","90","","118.868","0.004","90","","4006.7","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H33 O5.5 -","- C20 H33 O5.5 -","- C160 H264 O44 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.1521","0.1038","","","0.2491","0.3021","","","","","","1.067","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558884","9.4565","0.0005","9.5803","0.0007","22.189","0.0014","90","","90","","90","","2010.2","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0583","0.0459","","","0.1116","0.1212","","","","","","1.032","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1558885","9.8643","0.0019","9.9442","0.0019","10.655","0.002","90","","112.053","0.004","90","","968.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 Pt -","- C22 H18 N6 Pt -","- C44 H36 N12 Pt2 -","2","0.5","","Sengupta, Debabrata; Goswami, Sreetosh; Banerjee, Rajdeep; Guberman-Pfeffer, Matthew J.; Patra, Abhijeet; Dutta, Anirban; Pramanick, Rajib; Narasimhan, Shobhana; Pradhan, Narayan; Batista, Victor; Venkatesan, T.; Goswami, Sreebrata","Size-selective Pt siderophores based on redox active azo-aromatic ligands","Chemical Science","2020","","","","","10.1039/D0SC02683B","","","0.71073","MoKα","","0.0294","0.0229","","","0.0612","0.0692","","","","","","0.856","","","","has coordinates","255502","2020-10-21","18:00:00",""
"1558886","9.7658","0.0018","27.696","0.006","20.719","0.004","90","","102.38","0.007","90","","5473.6","1.9","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H61 Al Br Cl4 N4 O P -","- C60 H61 Al Br Cl4 N4 O P -","- C240 H244 Al4 Br4 Cl16 N16 O4 P4 -","4","1","","Sigmund, Lukas M.; Greb, Lutz","Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate","Chemical Science","2020","","","","","10.1039/D0SC03602A","","","0.71073","MoKα","","0.0553","0.0472","","","0.1251","0.1338","","","","","","1.079","","","","has coordinates","255503","2020-10-21","18:00:00",""
"1558887","9.776","0.0009","25.127","0.002","11.0644","0.001","90","","90","","90","","2717.9","0.4","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H39 Al N4 O -","- C30 H39 Al N4 O -","- C120 H156 Al4 N16 O4 -","4","1","","Sigmund, Lukas M.; Greb, Lutz","Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate","Chemical Science","2020","","","","","10.1039/D0SC03602A","","","0.71073","MoKα","","0.0471","0.0364","","","0.0792","0.0852","","","","","","1.035","","","","has coordinates","255503","2020-10-21","18:00:00",""
"1558888","16.4547","0.0015","19.5818","0.0018","23.333","0.002","108.507","0.005","108.814","0.005","92.156","0.005","6665.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Ce Lu2 N17 O21 -","- C160 H124 Ce Lu2 N17 O21 -","- C320 H248 Ce2 Lu4 N34 O42 -","2","1","","Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano","A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction","Chemical Science","2020","","","","","10.1039/D0SC03107K","","","0.71073","MoKα","","0.0779","0.0495","","","0.1229","0.1436","","","","","","1.051","","","","has coordinates","255504","2020-10-21","18:00:00",""
"1558889","16.218","0.002","19.459","0.003","23.331","0.003","108.404","0.006","108.158","0.005","91.61","0.006","6572.8","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Er2 La N17 O21 -","- C135 H99 Er2 La N12 O21 -","- C270 H198 Er4 La2 N24 O42 -","2","1","","Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano","A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction","Chemical Science","2020","","","","","10.1039/D0SC03107K","","","0.7749","synchrotron","","0.1661","0.108","","","0.273","0.3049","","","","","","1.103","","","","has coordinates","255504","2020-10-21","18:00:00",""
"1558890","18.2166","0.0007","18.5973","0.001","7.8095","0.0002","90","","97.881","0.002","90","","2620.71","0.19","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Harding, Cayley R.; Cann, Jonathan; Laventure, Audrey; Sadeghianlemraski, Mozhgan; Abd-Ellah, Marwa; Rao, Keerthan R.; Gelfand, Benjamin Sidney; Aziz, Hany; Kaake, Loren; Risko, Chad; Welch, Gregory C.","Acid dyeing for green solvent processing of solvent resistant semiconducting organic thin films","Materials Horizons","2020","7","11","2959","2969","10.1039/D0MH00785D","","","1.54178","CuKα","","0.0639","0.0581","","","0.1587","0.1639","","","","","","1.026","","","","has coordinates","258996","2020-11-06","13:24:46",""
"1558891","7.1184","0.0008","28.602","0.003","5.6452","0.0007","90","","90","","90","","1149.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione hemihydrate","","- C10 H15 N2 O6.5 -","- C10 H15 N2 O6.5 -","- C40 H60 N8 O26 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0314","0.0309","","","0.0809","0.0814","","","","","","1.109","","","","has coordinates","255565","2020-10-21","18:00:00",""
"1558892","7.2564","0.0006","10.1171","0.0008","17.2505","0.0014","90","","90","","90","","1266.42","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione dihydrate","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C40 H72 N8 O32 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0226","0.0226","","","0.0602","0.0602","","","","","","1.079","","","","has coordinates","255566","2020-10-21","18:00:00",""
"1558893","7.1273","0.0004","9.0099","0.0005","17.154","0.0009","90","","90","","90","","1101.57","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0219","0.0218","","","0.0572","0.0573","","","","","","1.045","","","","has coordinates","255567","2020-10-21","18:00:00",""
"1558894","25.6854","0.001","20.829","0.0009","40.6993","0.0018","90","","90","","90","","21774.2","1.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 H151 Cr2 N9 O6 P4 -","- C112 H150 Cr2 N9 O6 P4 -","- C896 H1200 Cr16 N72 O48 P32 -","8","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","0.71073","MoKα","","0.2201","0.0827","","","0.1721","0.2301","","","","","","0.979","","","","has coordinates","255569","2020-10-21","18:00:00",""
"1558895","12.5935","0.0003","16.7577","0.0004","21.329","0.0005","95.414","0.001","99.551","0.001","92.236","0.001","4412.18","0.18","135","2","135","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H85 B Cr F24 N4 O3 P2 -","- C87 H85 B Cr F24 N4 O3 P2 -","- C174 H170 B2 Cr2 F48 N8 O6 P4 -","2","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","1.54178","CuKα","","0.0601","0.0434","","","0.1033","0.1126","","","","","","1.023","","","","has coordinates,has disorder","255569","2020-10-21","18:00:00",""
"1558896","17.9616","0.0007","7.6761","0.0003","21.5205","0.0009","90","","90","","90","","2967.1","0.2","110","2","109.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","2","","Shahni, Rahul K.; Mabin, Micah; Wang, Zhihan; Shaik, Muneer; Ugrinov, Angel; Chu, Qianli R.","Synthesis and characterization of BPA-free polyesters by incorporating a semi-rigid cyclobutanediol monomer","Polymer Chemistry","2020","11","37","6081","6090","10.1039/D0PY01098G","","","1.54178","CuKα","","0.0825","0.0782","","","0.204","0.2071","","","","","","1.082","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558897","8.48738","0.00006","8.60757","0.00006","25.91521","0.00018","90","","90","","90","","1893.25","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Du, Min; An, Lijun; Xu, Jing; Guo, Yuanqiang","Euphnerins A and B, Diterpenoids with a 5/6/6 Rearranged Spirocyclic Carbon Skeleton from the Stems of <i>Euphorbia neriifolia</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00249","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0741","0.0744","","","","","","1.059","","","","has coordinates","255588","2020-10-21","18:00:00",""
"1558901","21.966","0.003","21.966","0.003","21.966","0.003","90","","90","","90","","10599","3","110","2","110","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C48 H20 Fe6 N6 O32 -","- C48 H19.98 Fe6 N6 O32 -","- C192 H79.92 Fe24 N24 O128 -","4","0.166667","","Gopalsamy, Karuppasamy; Babarao, Ravichandar","Heterometallic Metal Organic Frameworks for Air Separation: A Computational Study","Industrial & Engineering Chemistry Research","2020","59","35","15718","15731","10.1021/acs.iecr.0c02449","","","0.71073","MoKα","","0.0381","0.0332","","","0.0837","0.0856","","","","","","1","","","","has coordinates","257105","2020-10-21","18:00:00",""
"1558902","46.45","0.005","46.45","0.005","46.45","0.005","90","","90","","90","","100221","19","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-147","","- C44 H20 Cu2 N2 O10 -","- C44 H20 Cu2 N2 O10 -","- C1056 H480 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1082","0.0626","","","0.1862","0.2344","","","","","","0.981","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558903","49.76","0.006","49.76","0.006","49.76","0.006","90","","90","","90","","123209","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-161","","- C42 H22 Cu2 N2 O10 -","- C42 H22 Cu2 N2 O10 -","- C1008 H528 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0869","0.0555","","","0.1714","0.2094","","","","","","1.016","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558904","23.11","0.003","23.11","0.003","49.6","0.01","90","","90","","120","","22941","6","293","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","DUT-159","","- C36 H20 Cu2 N2 O10 -","- C36 H20 Cu2 N2 O10 -","- C324 H180 Cu18 N18 O90 -","9","0.25","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0745","0.0579","","","0.2003","0.2252","","","","","","0.972","","","","has coordinates","255612","2020-10-21","18:00:00",""
"1558905","49.59","0.006","49.59","0.006","49.59","0.006","90","","90","","90","","121950","3","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-162","","- C42 H24 Cu2 N2 O10 -","- C42 H24 Cu2 N2 O10 -","- C1008 H576 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1467","0.067","","","0.1932","0.2603","","","","","","0.917","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558906","46.54","0.005","46.54","0.005","46.54","0.005","90","","90","","90","","100804","19","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-148","","- C42 H22 Cu2 N2 O10 -","- C42 H22 Cu2 N2 O10 -","- C1008 H528 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1102","0.0676","","","0.2043","0.249","","","","","","1.021","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558907","50.11","0.006","50.11","0.006","50.11","0.006","90","","90","","90","","125827","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-160","","- C42 H20 Cu2 N2 O10 -","- C42 H20 Cu2 N2 O10 -","- C1008 H480 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0755","0.0577","","","0.1921","0.2254","","","","","","1.083","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558908","12.6462","0.0001","17.8817","0.0001","25.2987","0.0002","90","","90","","90","","5720.94","0.07","150","2","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R,2'R)-2,2'-((3,7-dimethoxybenzo[1,2-b:4,5-b']dithiophene-2,6-dicarbonyl)bis(azanediyl))bis(3-(tritylthio)propanoic acid)","","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C244.8 H211.2 F19.2 N8 O38.4 S16 -","4","1","","Gianga, Tiberiu-M; Audibert, Edwige; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Discovery of an all-donor aromatic [2]catenane","Chemical Science","2020","","","","","10.1039/D0SC04317F","","x-ray","1.54184","CuKα","","0.0404","0.0378","","","0.0962","0.0984","","","","","","1.034","","","","has coordinates,has disorder","255613","2020-10-21","18:00:00",""
"1558913","7.7182","0.0004","9.1941","0.0006","9.1951","0.0006","66.644","0.006","73.063","0.005","84.331","0.005","572.95","0.07","290","2","290","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","1","0.5","","Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico","Charge transfer excitons in a donor‒acceptor amphidynamic crystal: the role of dipole orientational order","Materials Horizons","2020","7","11","2951","2958","10.1039/D0MH01044H","","x-ray","1.54184","CuKα","","0.0633","0.059","","","0.1757","0.1834","","","","","","1.067","","","","has coordinates","258997","2020-11-06","13:25:00",""
"1558914","9.9529","0.0005","10.0251","0.0004","12.5133","0.0006","85.623","0.004","73.77","0.004","68.865","0.004","1117.75","0.1","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico","Charge transfer excitons in a donor‒acceptor amphidynamic crystal: the role of dipole orientational order","Materials Horizons","2020","7","11","2951","2958","10.1039/D0MH01044H","","x-ray","1.54184","CuKα","","0.0427","0.0411","","","0.1081","0.1104","","","","","","1.056","","","","has coordinates","258997","2020-11-06","13:25:03",""
"1558915","8.38","0.005","17.031","0.01","14.817","0.009","90","","93.868","0.01","90","","2110","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cu F6 N5 O5 Zr -","- C13 H15 Cu F6 N5 O5 Zr -","- C52 H60 Cu4 F24 N20 O20 Zr4 -","4","1","","Huang, Yuhang; Xu, Yun; Zheng, Baishu; Wang, Zhaoxu; Dong, Qiubing; Duan, Jingui","Molecular Sieving of C2H4 from C2H2 by a Supramolecular Porous Material","Energy & Fuels","2020","","","","","10.1021/acs.energyfuels.0c01958","","","0.71073","MoKα","","0.1271","0.0787","","","0.1991","0.2274","","","","","","1.034","","","","has coordinates","255664","2020-10-21","18:00:00",""
"1558916","7.3771","0.0002","12.8589","0.0003","8.6273","0.0002","90","","91.272","0.001","90","","818.2","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0256","0.0255","","","0.0656","0.0657","","","","","","1.062","","","","has coordinates","255667","2020-10-21","18:00:00",""
"1558917","5.6085","0.0002","15.2308","0.0004","7.9538","0.0002","90","","98.2","0.001","90","","672.48","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0265","0.0265","","","0.0692","0.0692","","","","","","1.084","","","","has coordinates","255668","2020-10-21","18:00:00",""
"1558918","8.4795","0.0002","10.1279","0.0003","15.4669","0.0004","90","","90","","90","","1328.29","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0301","0.0298","","","0.1054","0.106","","","","","","1.013","","","","has coordinates","255669","2020-10-21","18:00:00",""
"1558928","7.39944","0.00005","11.11572","0.00008","15.42283","0.0001","90","","90","","90","","1268.53","0.015","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O7 -","- C11 H18 O7 -","- C44 H72 O28 -","4","1","","Zandi, Linda; Makungu, Marco; Munissi, Joan J. E.; Duffy, Sandra; Puttreddy, Rakesh; von der Heiden, Daniel; Rissanen, Kari; Avery, Vicky M.; Nyandoro, Stephen S.; Erdélyi, Máté","Secoiridoids and Iridoids from <i>Morinda asteroscepa</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00447","","x-ray","1.54184","CuKα","","0.0299","0.0299","","","0.0783","0.0784","","","","","","1.13","","","","has coordinates","255719","2020-10-21","18:00:00",""
"1558929","12.6795","0.0003","19.6724","0.0004","21.4947","0.0004","90","","97.371","0.001","90","","5317.25","0.19","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H43 B F24 N Ni O P -","- C51 H43 B F24 N Ni O P -","- C204 H172 B4 F96 N4 Ni4 O4 P4 -","4","1","","Cui, Lei; Jian, Zhongbao","A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers","Polymer Chemistry","2020","11","38","6187","6193","10.1039/D0PY01106A","","","1.54178","CuKα","","0.0632","0.0553","","","0.1392","0.1475","","","","","","1.003","","","","has coordinates,has disorder","258993","2020-11-06","13:22:37",""
"1558930","8.633","0.0004","10.4214","0.0005","16.3267","0.0008","78.073","0.001","86.924","0.001","70.447","0.001","1354.1","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H25 Cl N O3 P Pd -","- C23 H25 Cl N O3 P Pd -","- C46 H50 Cl2 N2 O6 P2 Pd2 -","2","1","","Cui, Lei; Jian, Zhongbao","A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers","Polymer Chemistry","2020","11","38","6187","6193","10.1039/D0PY01106A","","","0.71073","MoKα","","0.0441","0.0408","","","0.1023","0.105","","","","","","0.996","","","","has coordinates","258993","2020-11-06","13:22:37",""
"1558931","6.7463","0.0003","9.036","0.0004","9.3954","0.0004","81.005","0.002","85.099","0.002","88.7","0.002","563.6","0.04","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C20 H22 N6 O12 -","2","1","HB4359","Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","IUCrData","2020","5","8","x201121","","10.1107/S2414314620011219","","","0.71073","MoKα","","0.0481","0.0375","","","0.1043","0.1111","","","","","","1.041","","","","has coordinates,has Fobs","255748","2020-10-21","18:00:00",""
"1558935","13.4672","0.0004","5.79643","0.00015","20.7574","0.0006","90","","97.299","0.003","90","","1607.23","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Seal, Jonathan T.; Atkinson, Stephen J.; Aylott, Helen; Bamborough, Paul; Chung, Chun-Wa; Copley, Royston C. B.; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Hayhow, Thomas G.; Lindon, Matthew; Messenger, Cassie; Michon, Anne-Marie; Mitchell, Darren; Preston, Alex; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H.","The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00796","","","1.54178","CuKα","","0.0566","0.0384","","","0.0861","0.094","","","","","","1.032","","","","has coordinates","255764","2020-10-21","18:00:00",""
"1558936","6.30648","0.00011","11.9372","0.0002","26.4614","0.0005","90","","90","","90","","1992.06","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Qin, Le; Yi, Wenwen; Lian, Xiao-Yuan; Zhang, Zhizhen","Bioactive Alkaloids from the Actinomycete Actinoalloteichus sp. ZZ1866","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00588","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0803","0.0808","","","","","","1.046","","","","has coordinates","255765","2020-10-21","18:00:00",""
"1558937","15.87","0.015","5.876","0.003","9.159","0.005","90","","99.55","0.02","90","","842.3","1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H22 Ca O14 -","- C12 H22 Ca O14 -","- C24 H44 Ca2 O28 -","2","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.1997","0.1313","","","0.2838","0.3286","","","","","","1.136","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558938","17.8169","0.0005","14.6327","0.0004","17.7916","0.0005","90","","93.5001","0.0014","90","","4629.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H64 Cl2 N4 Rh2 Si2 -","- C43 H64 Cl2 N4 Rh2 Si2 -","- C172 H256 Cl8 N16 Rh8 Si8 -","4","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.0234","0.0213","","","0.0527","0.0535","","","","","","1.047","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558939","7.1992","0.0005","9.338","0.0006","15.7215","0.0011","89.392","0.003","81.1228","0.0019","75.73","0.002","1011.6","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H31 B Cl N2 Rh Si -","- C18 H31 B Cl N2 Rh Si -","- C36 H62 B2 Cl2 N4 Rh2 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.0498","0.0425","","","0.0833","0.0856","","","","","","1.129","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558940","15.2108","0.0001","24.5048","0.0002","9.7034","0.0001","90","","90","","90","","3616.82","0.05","150","2","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H58 N O2 Sc Si -","- C37 H58 N O2 Sc Si -","- C148 H232 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0546","0.0522","","","0.14","0.1432","","","","","","1.044","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558941","13.0882","0.0002","14.3825","0.0002","14.3203","0.0002","90","","104.34","0.001","90","","2611.68","0.07","150","2","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Al Cl N O Si -","- C25 H41 Al Cl N O Si -","- C100 H164 Al4 Cl4 N4 O4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0502","0.0462","","","0.1285","0.1322","","","","","","1.029","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558942","11.597","0.0001","16.9523","0.0002","18.292","0.0002","90","","103.407","0.001","90","","3498.13","0.07","150","2","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N O2 Sc Si -","- C36 H56 N O2 Sc Si -","- C144 H224 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0945","0.097","","","","","","1.063","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558943","14.9848","0.0009","15.2025","0.0003","17.316","0.0004","89.817","0.002","84.546","0.003","78.504","0.003","3847.6","0.3","150","2","150","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 Al N O2 Si -","- C39 H62 Al N O2 Si -","- C156 H248 Al4 N4 O8 Si4 -","4","2","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0998","0.077","","","0.1645","0.1778","","","","","","1.079","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558944","10.2397","0.0004","10.9358","0.0004","12.4015","0.0004","89.006","0.003","85.166","0.003","67.359","0.004","1276.96","0.09","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 Cl N O Sc Si -","- C25 H41 Cl N O Sc Si -","- C50 H82 Cl2 N2 O2 Sc2 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.091","0.0924","","","","","","1.042","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558945","23.7263","0.0004","10.4153","0.0002","21.6239","0.0003","90","","106.991","0.002","90","","5110.38","0.16","150","2","150.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Cl2 N2 O2 Sc2 Si2 -","- C54 H74 Cl2 N2 O2 Sc2 Si2 -","- C216 H296 Cl8 N8 O8 Sc8 Si8 -","4","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0923","0.0945","","","","","","1.065","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558946","9.115","0.0005","11.4654","0.0005","18.1231","0.001","75.161","0.004","84.213","0.004","69.169","0.004","1711.05","0.16","150","2","150","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C33 H50 Al N O2 Si -","- C33 H50 Al N O2 Si -","- C66 H100 Al2 N2 O4 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0726","0.0523","","","0.1311","0.148","","","","","","0.977","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558948","11.0195","0.0002","11.0195","0.0002","11.0195","0.0002","90","","90","","90","","1338.09","0.04","","","298","","","","100","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","(Sr0.75Bi0.25)2Bi2O6.83","","","- Bi2.5 O6.83 Sr1.5 -","- Bi2.5 O9.32 Sr1.5 -","- Bi20 O74.56 Sr12 -","8","0.0416667","","Saiduzzaman, M.; Hossain, K.M.; Kumada, N.; Yanagida, S.; Takei, T.; Hanada, Y.; Nagao, M.; Azuma, M.","Hydrothermal synthesis and crystal structure of a mixed-valence pyrochlore-type strontium bismuthate, (Sr0.75Bi0.25)2Bi2O6.83","Journal of the Ceramic Society of Japan","2020","128","","660","663","10.2109/jcersj2.20115","","","","","","","","","","","","","","","","","","","","","has coordinates","255776","2020-10-21","18:00:00",""
"1558952","12.498","0.012","13.717","0.014","22.91","0.02","102.965","0.012","101.501","0.014","99.116","0.018","3665","6","120","2","120.35","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Co N4 O27 S20 -","- C56 H58 Co N4 O27 S20 -","- C112 H116 Co2 N8 O54 S40 -","2","1","","Shen, Yongbing; Yamashita, Masahiro; Breedlove, Brian. K.; Herrmann, Carmen; Uchida, Kaiji; Cosquer, Goulven; Ishikawa, Manabu; Otsuka, Akihiro; Yoshina, Shinji K.; Yoshida, Takefumi; Yamochi, Hideki; Katagiri, Seiu; Ito, Hiroshi; Zhang, Haitao","Simultaneous Manifestations of Metallic Conductivity and Single-Molecule Magnetism in a Layered Molecule-based Compound","Chemical Science","2020","","","","","10.1039/D0SC04040A","","","0.71075","MoKα","","0.119","0.0711","","","0.1751","0.2209","","","","","","1.0266","","","","has coordinates","255788","2020-10-21","18:00:00",""
"1558957","11.2099","0.0001","17.2004","0.0002","21.3573","0.0002","90","","98.838","0.001","90","","4069.11","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H63 O2.5 P2 -","- C44 H63 O2.5 P2 -","- C176 H252 O10 P8 -","4","1","","Qiu, Haile; Dai, Qiang; He, Jiafeng; Li, Wenbo; Zhang, Junliang","Access to P-Chiral sec- and tert-Phosphine Oxides Enabled by Le-Phos-Catalyzed Asymmetric Kinetic Resolution","Chemical Science","2020","","","","","10.1039/D0SC04041J","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0701","0.0702","","","","","","1.028","","","","has coordinates","255810","2020-10-21","18:00:00",""
"1558958","7.7202","0.0004","21.9059","0.0012","9.0867","0.0006","90","","98.1207","0.0017","90","","1521.31","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B10 -","- C11 H20 B10 -","- C44 H80 B40 -","4","1","","Zhang, Jie; Tang, Cen; Xie, Zuowei","Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes","Chemical Science","2020","","","","","10.1039/D0SC04465B","","","0.71073","MoKα","","0.0747","0.0701","","","0.1889","0.1936","","","","","","1.054","","","","has coordinates","255811","2020-10-21","18:00:00",""
"1558959","18.2149","0.0007","8.1437","0.0004","12.0108","0.0004","90","","90","","90","","1781.64","0.13","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H24 B10 -","- C13 H24 B10 -","- C52 H96 B40 -","4","1","","Zhang, Jie; Tang, Cen; Xie, Zuowei","Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes","Chemical Science","2020","","","","","10.1039/D0SC04465B","","","0.71073","MoKα","","0.0474","0.0409","","","0.1066","0.1131","","","","","","1.064","","","","has coordinates","255811","2020-10-21","18:00:00",""
"1558960","9.7246","0.0005","9.0634","0.0004","21.3352","0.001","90","","96.9612","0.0015","90","","1866.58","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 B10 -","- C14 H26 B10 -","- C56 H104 B40 -","4","1","","Zhang, Jie; Tang, Cen; Xie, Zuowei","Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes","Chemical Science","2020","","","","","10.1039/D0SC04465B","","","0.71073","MoKα","","0.0777","0.0624","","","0.1804","0.1982","","","","","","1.107","","","","has coordinates","255811","2020-10-21","18:00:00",""
"1558961","25.1585","0.0014","25.1585","0.0014","25.1585","0.0014","90","","90","","90","","15924.1","1.5","173","2","173","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","NJU-Bai61","","- C33 H45 Cu13 I11 N12 O7 -","- C33 H45 Cu13 I11 N12 O7 -","- C264 H360 Cu104 I88 N96 O56 -","8","0.166667","","Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian","Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4","Chemical Science","2020","","","","","10.1039/D0SC03754K","","","0.71073","MoKα","","0.0766","0.0649","","","0.1819","0.1992","","","","","","1.184","","","","has coordinates","255812","2020-10-21","18:00:00",""
"1558962","13.4414","0.0012","10.3399","0.0009","15.1736","0.0014","90","","106.964","0.001","90","","2017.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","NJU-Bai61p","","- C5 H4 Cu2 I2 N2 O2 -","- C5 H4 Cu2 I2 N2 O2 -","- C40 H32 Cu16 I16 N16 O16 -","8","1","","Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian","Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4","Chemical Science","2020","","","","","10.1039/D0SC03754K","","","0.71073","MoKα","","0.0385","0.0378","","","0.0983","0.0985","","","","","","1.237","","","","has coordinates","255812","2020-10-21","18:00:00",""
"1558963","7.6121","0.0006","27.2894","0.0018","8.5005","0.0005","90","","107.255","0.008","90","","1686.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","MePhImCH(CHCH2)PhIm","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","2","","Kanbayashi, Naoya; Saegusa, Marina; Ishido, Yuki; Okamura, Taka-aki; Onitsuka, Kiyotaka","Synthesis of an optically active polymer containing a planar phthalimide backbone by asymmetric polymerization","Polymer Chemistry","2020","11","39","6241","6250","10.1039/D0PY01073A","","x-ray","0.71075","MoKα","","0.108","0.0567","","","0.0958","0.111","","","","","","1.032","","","","has coordinates","258991","2020-11-06","13:21:54",""
"1558965","11.484","0.003","9.814","0.003","12.602","0.003","90","","96.815","0.004","90","","1410.3","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Sarkar, Sujan K.; Ranaweera, R. A. A. Upul; Merugu, Rajkumar; Abdelaziz, Nayera M.; Robinson, Jendai E.; Day, Heidi A.; Krause, Jeanette A.; Gudmundsdottir, Anna D.","Comparison of the Photochemistry of Acyclic and Cyclic 4-(4-Methoxy-Phenyl)-4-Oxo-but-2-Enoate Ester Derivatives.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04319","","","0.7749","synchrotron","","0.0513","0.0455","","","0.127","0.1325","","","","","","1.051","","","","has coordinates","255855","2020-10-21","18:00:00",""
"1558966","14.114","0.0012","5.0373","0.0004","17.2267","0.0015","90","","98.575","0.003","90","","1211.07","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0839","0.0586","","","0.1494","0.1641","","","","","","1.046","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558967","8.5119","0.0009","33.049","0.003","8.1129","0.0007","90","","105.969","0.004","90","","2194.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl Ir O S -","- C24 H28 Cl Ir O S -","- C96 H112 Cl4 Ir4 O4 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0508","0.0461","","","0.0973","0.0989","","","","","","1.189","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558968","10.993","0.0005","14.5354","0.0007","12.7588","0.0007","90","","94.905","0.002","90","","2031.23","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Ir O S -","- C24 H27 Ir O S -","- C96 H108 Ir4 O4 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0426","0.0388","","","0.1051","0.1077","","","","","","1.059","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558969","4.9916","0.0003","12.1921","0.0006","13.9226","0.0008","69.159","0.002","87.173","0.002","79.345","0.002","778.09","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O5 S -","- C18 H16 O5 S -","- C36 H32 O10 S2 -","2","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0468","0.037","","","0.0906","0.0956","","","","","","1.047","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558970","10.9587","0.0009","15.1534","0.0011","7.3793","0.0006","90","","98.891","0.003","90","","1210.69","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br O S -","- C14 H11 Br O S -","- C56 H44 Br4 O4 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0368","0.0307","","","0.0687","0.0707","","","","","","1.136","","","","has coordinates,has disorder","255884","2020-10-21","18:00:00",""
"1558971","9.9702","0.0005","12.7689","0.0006","13.1134","0.0006","89.362","0.001","73.47","0.001","68.14","0.001","1476.92","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H27 Ag2 F6 Ir O5 S -","- C28 H27 Ag2 F6 Ir O5 S -","- C56 H54 Ag4 F12 Ir2 O10 S2 -","2","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0369","0.0342","","","0.0839","0.0856","","","","","","1.036","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558972","5.8021","0.0003","10.4926","0.0005","10.9378","0.0005","73.356","0.002","87.222","0.002","79.597","0.001","627.49","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Br2 O2 S3 -","- C10 H6 Br2 O2 S3 -","- C20 H12 Br4 O4 S6 -","2","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0433","0.0364","","","0.1012","0.1059","","","","","","1.06","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558973","8.1465","0.0005","14.4371","0.0008","8.884","0.0005","90","","100.673","0.002","90","","1026.79","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O S3 -","- C10 H8 O S3 -","- C40 H32 O4 S12 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0619","0.0397","","","0.0953","0.1047","","","","","","1.028","","","","has coordinates,has disorder","255884","2020-10-21","18:00:00",""
"1558974","7.4348","0.0006","23.1324","0.0018","20.2671","0.0016","90","","90.377","0.001","90","","3485.6","0.5","298","2","298.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","Phenol Pentafluorophenol","","- C12 H7 F5 O2 -","- C12 H7 F5 O2 -","- C144 H84 F60 O24 -","12","3","","Gerthoffer, Margaret C.; Wu, Sikai; Chen, Bo; Wang, Tao; Huss, Steven; Oburn, Shalisa M.; Crespi, Vincent; Badding, John; Elacqua, Elizabeth","‘Sacrificial’ Supramolecular Assembly and Pressure-Induced Polymerization: Toward Sequence-Defined Functionalized Nanothreads","Chemical Science","2020","","","","","10.1039/D0SC03904G","","","0.71073","MoKα","","0.0446","0.0333","","","0.08","0.0876","","","","","","1.028","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558975","12.5033","0.0006","14.0801","0.0005","18.7137","0.0008","80.333","0.003","80.005","0.004","72.223","0.004","3066.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H55 Cl8 O2.3 Os P3 -","- C64 H55 Cl8 O2.3 Os P3 -","- C128 H110 Cl16 O4.6 Os2 P6 -","2","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0609","0.0369","","","0.0411","0.0434","","","","","","0.757","","","","has coordinates,has disorder","255886","2020-10-21","18:00:00",""
"1558976","13.5717","0.0001","12.2204","0.0001","38.228","0.0004","90","","96.838","0.001","90","","6295.08","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 I2 O2 Os P3 -","- C65 H55 I2 O2 Os P3 -","- C260 H220 I8 O8 Os4 P12 -","4","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","x-ray","1.54184","CuKα","","0.035","0.0347","","","0.088","0.0883","","","","","","1.061","","","","has coordinates","255886","2020-10-21","18:00:00",""
"1558977","18.0079","0.0006","18.6935","0.0007","24.9721","0.0009","95.726","0.003","110.761","0.003","102.104","0.003","7545.1","0.5","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C69 H59 Cl2 O4 P3 Ru -","- C69 H59 Cl2 O4 P3 Ru -","- C276 H236 Cl8 O16 P12 Ru4 -","4","2","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons–Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0831","0.0601","","","0.1263","0.1355","","","","","","1.065","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1558978","13.7995","0.0006","15.4786","0.0006","18.2124","0.0007","65.195","0.001","73.676","0.001","78.005","0.001","3370.8","0.2","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H57 B Cl7 F4 O Os P3 -","- C66 H57 B Cl7 F4 O Os P3 -","- C132 H114 B2 Cl14 F8 O2 Os2 P6 -","2","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0504","0.0449","","","0.1131","0.1179","","","","","","1.05","","","","has coordinates,has disorder","255886","2020-10-21","18:00:00",""
"1558979","18.5224","0.0002","12.6665","0.0002","29.5255","0.0004","90","","102.222","0.001","90","","6770.09","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H59 I2 O2 Os P3 -","- C67 H59 I2 O2 Os P3 -","- C268 H236 I8 O8 Os4 P12 -","4","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","x-ray","1.54184","CuKα","","0.0328","0.0316","","","0.0774","0.0781","","","","","","1.047","","","","has coordinates","255886","2020-10-21","18:00:00",""
"1558980","12.0312","0.0005","17.2019","0.001","19.2444","0.0011","106.991","0.005","103.843","0.004","105.956","0.004","3433.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H57 Cl8 O Os P3 -","- C70 H57 Cl8 O Os P3 -","- C140 H114 Cl16 O2 Os2 P6 -","2","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0393","0.0303","","","0.0639","0.065","","","","","","0.962","","","","has coordinates,has disorder","255886","2020-10-21","18:00:00",""
"1558981","16.87","0.004","5.77","0.001","19.89","0.003","90","","105.9","0.012","90","","1862","0.6","100","2","100","2","","","","","","","Synthesis","4","C 1 2 1","C 2y","5","","","","- C15 H31 N2 O7.5 -","- C15 H31 N2 O7.5 -","- C60 H124 N8 O30 -","4","1","","Bellotto, Ottavia; Kralj, Slavko; De Zorzi, Rita; Geremia, Silvano; Marchesan, Silvia","Supramolecular hydrogels from unprotected dipeptides: a comparative study on stereoisomers and structural isomers.","Soft matter","2020","16","44","10151","10157","10.1039/d0sm01191f","","x-ray","0.7","Synchrotron","","0.0797","0.0772","","","0.2235","0.2284","","","","","","1.117","","","","has coordinates","259629","2020-12-06","14:55:48",""
"1558982","17.7648","0.0007","18.0515","0.0005","22.0097","0.0007","77.093","0.002","66.749","0.003","62.317","0.003","5735.6","0.4","119.99","0.13","119.99","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C256.5 H230 B8 Cl3 F32 N8 O10 -","- C256.5 H230 B8 Cl3 F32 N8 O10 -","- C256.5 H230 B8 Cl3 F32 N8 O10 -","1","0.5","","Chen, Kongqi; Zhang, Rongyuan; Li, Ganggang; Li, Baoxi; Ma, Yao; Sun, Ming; Wang, Zhiming; Tang, Ben Zhong","Photo-induced crystallization with emission enhancement (PICEE)","Materials Horizons","2020","7","11","3005","3010","10.1039/D0MH01200A","","x-ray","1.54184","CuKα","","0.1507","0.1298","","","0.385","0.4156","","","","","","1.026","","","","has coordinates,has disorder","258995","2020-11-06","13:24:36",""
"1558983","12.7732","0.0008","12.9749","0.0008","28.77","0.002","87.197","0.004","83.485","0.003","77.866","0.003","4629.9","0.5","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C93 H119 B Co N4 O P3 Zr -","- C93 H119 B Co N4 O P3 Zr -","- C186 H238 B2 Co2 N8 O2 P6 Zr2 -","2","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0572","0.0418","","","0.106","0.1121","","","","","","1.032","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558984","20.3878","0.0008","20.3878","0.0008","16.4288","0.0007","90","","90","","120","","5913.9","0.4","150","","150","","","","","","","","","8","R 3 :H","R 3","146","","","","- C87 H114 Co F3 N4 O P3 Zr -","- C87 H114 Co F3 N4 O P3 Zr -","- C261 H342 Co3 F9 N12 O3 P9 Zr3 -","3","0.333333","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","K-L~3~","0.022","0.0205","","","0.0516","0.0522","","","","","","1.092","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558985","15.7918","0.0006","16.3859","0.0006","24.043","0.0009","90","","103.39","0.002","90","","6052.3","0.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3HZ_092","","","- C110 H192 Co2 N8 Na2 O2 P6 Zr2 -","- C110 H192 Co2 N8 Na1.998 O2 P6 Zr2 -","- C220 H384 Co4 N16 Na3.996 O4 P12 Zr4 -","2","0.5","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","","0.71073","MoKα","","0.067","0.0407","","","0.0938","0.1058","","","","","","1.025","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558986","13.4865","0.0008","15.0867","0.0009","24.2764","0.0014","73.132","0.002","81.938","0.002","89.151","0.002","4678.5","0.5","150","","150","","","","","","","","","10","P -1","-P 1","2","","","","- C82 H96.99 B Co F24 I0.01 N4 O P3 Zr -","- C82 H96.9957 B Co F24 I0.0043 N4 O0.9957 P3 Zr -","- C164 H193.991 B2 Co2 F48 I0.0086 N8 O1.9914 P6 Zr2 -","2","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0382","0.0335","","","0.0863","0.0908","","","","","","1.025","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558987","12.8096","0.0009","17.9356","0.0012","18.3046","0.0011","86.395","0.002","72.314","0.002","75.548","0.002","3879.5","0.4","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C79 H102.5 Cl Co F2.5 N3 O P3 Zr -","- C79 H102.5 Cl Co F2.5 N3 O P3 Zr -","- C158 H205 Cl2 Co2 F5 N6 O2 P6 Zr2 -","2","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0292","0.0264","","","0.0641","0.067","","","","","","1.088","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558988","36.531","0.002","17.8638","0.0012","23.9107","0.0014","90","","108.239","0.004","90","","14819.8","1.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2HZ150","","","- C50 H85 Co N4 O P3 Zr -","- C50 H85 Co N4 O P3 Zr -","- C400 H680 Co8 N32 O8 P24 Zr8 -","8","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","","0.71073","MoKα","","0.1682","0.0963","","","0.2414","0.2879","","","","","","1.04","","","","has coordinates","255936","2020-10-21","18:00:00",""
"1558989","15.3643","0.0008","19.0177","0.001","22.7503","0.0011","90","","95.377","0.002","90","","6618.2","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H94 Co F9 N4 P4 Zr -","- C62 H94 Co F9 N4 P4 Zr -","- C248 H376 Co4 F36 N16 P16 Zr4 -","4","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0666","0.071","","","","","","1.054","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558990","6.9149","0.0002","7.8607","0.0002","34.1007","0.0012","90","","95.247","0.003","90","","1845.81","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(rac)-1-methyl-5-phenyl-2-(p-tolylsulfinyl)isoindoline","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Thadkapally, Srinivas; Farshadfar, Kaveh; Drew, Melanie; Richardson, Christopher; Ariafard, Alireza; Pyne, Stephen G.; Hyland, Christopher James Timothy","Rhodium-Catalyzed Tetradehydro-Diels‒Alder Reactions of Enediynes via a Rhodium-stabilized Cyclic Allene","Chemical Science","2020","","","","","10.1039/D0SC04390G","","x-ray","0.71073","MoKα","","0.0572","0.0429","","","0.1054","0.1116","","","","","","1.036","","","","has coordinates,has disorder","255937","2020-10-21","18:00:00",""
"1558991","26.951","0.003","10.8492","0.0008","21.899","0.003","90","","125.39","0.019","90","","5220.1","1.6","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Fe N8 O8 S2 -","- C62 H44 Fe N8 O8 S2 -","- C248 H176 Fe4 N32 O32 S8 -","4","0.5","","SUGIYAMA, Haruki; UEKUSA, Hidehiro","Crystal Structure and Chromic Properties of an Iron(II) Complex Salt of a <i>N</i>-Salicylideneaniline Derivative","X-ray Structure Analysis Online","2020","36","0","31","32","10.2116/xraystruct.36.31","","","0.71073","MoKα","","0.071","0.0493","","","0.1266","0.1422","","","","","","1.063","","","","has coordinates","258165","2020-10-21","18:00:00",""
"1558992","11.929","0.007","16.833","0.006","11.259","0.011","93.75","0.05","91","0.07","100.37","0.04","2218","3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 B N O4 -","- C22 H32 B N O4 -","- C88 H128 B4 N4 O16 -","4","2","","TOMBUL, Mustafa; BIYIKOGLU, Mutluhan; BULUT, Adnan; GÜVEN, Kutalmis; ISILAR, Özer","Synthesis and Crystal Structure Determination of a Dimeric Complex of Dimethylammoniumbis(<i>p-tert</i>-butylcatecholato) borate","X-ray Structure Analysis Online","2020","36","0","27","29","10.2116/xraystruct.36.27","","","0.71069","MoKα","","0.3117","0.077","","","0.1824","0.2738","","","","","","0.999","","","","has coordinates","258166","2020-10-21","18:00:00",""
"1558993","9.2947","0.0002","18.5982","0.0005","18.3144","0.0004","90","","90.534","0.002","90","","3165.78","0.13","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H53 Ag2 N9 O6 P4 -","- C62 H53 Ag2 N9 O6 P4 -","- C124 H106 Ag4 N18 O12 P8 -","2","0.5","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0805","0.0634","","","0.1687","0.1797","","","","","","1.064","","","","has coordinates,has disorder","256193","2020-10-21","18:00:00",""
"1558994","13.2478","0.0004","15.6986","0.0004","19.701","0.0005","90","","90","","90","","4097.25","0.19","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Ag2 B2 F8 N6 P2 -","- C36 H34 Ag2 B2 F8 N6 P2 -","- C144 H136 Ag8 B8 F32 N24 P8 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0535","0.0557","","","","","","1.022","","","","has coordinates,has disorder","256194","2020-10-21","18:00:00",""
"1558995","13.7178","0.0014","20.452","0.002","27.659","0.003","90","","90","","90","","7759.9","1.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Bis(3,7-dibenzyl-1,5-di(1’-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- bis(acetonitrile)iron(II)] tetrafluoroborate","","- C76 H92 B2 F8 Fe N8 P4 -","- C76 H92 B2 F8 Fe N8 P4 -","- C304 H368 B8 F32 Fe4 N32 P16 -","4","1","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2051","0.0791","","","0.1537","0.2081","","","","","","1.007","","","","has coordinates","256195","2020-10-21","18:00:00",""
"1558996","22.651","0.002","22.651","0.002","15.3431","0.0017","90","","90","","120","","6817.4","1.1","100","2","100","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","[Bis(3,7-dibenzyl-1,5-di(1?-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- tetrafluoroboratoiron(II)] tetrafluoroborate","","- C249 H294 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","1","0.166667","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2191","0.104","","","0.2221","0.2794","","","","","","0.973","","","","has coordinates","256196","2020-10-21","18:00:00",""
"1559007","35.823","0.0002","6.493","","11.1674","0.0001","90","","106.69","","90","","2488.1","0.03","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H31 N3 O5 -","- C27 H31 N3 O5 -","- C108 H124 N12 O20 -","4","1","","Qi, Changxing; Tan, Xiaosheng; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Hu, Zhengxi; Chen, Gang; Zhang, Yonghui","Discovery of an Oxepine-Containing Diketopiperazine Derivative Active against Concanavalin A-Induced Hepatitis.","Journal of natural products","2020","83","9","2672","2678","10.1021/acs.jnatprod.0c00558","","","1.54178","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.056","","","","has coordinates","257124","2020-10-21","18:00:00",""
"1559008","29.083","0.012","9.001","0.004","13.882","0.006","90","","103.729","0.008","90","","3530","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O -","- C24 H18 O -","- C192 H144 O8 -","8","1","","Tan, Bojun; Liu, Long; Zheng, Huayu; Cheng, Tianyi; Zhu, Dianhu; Yang, Xiaofeng; Luan, Xinjun","Two-in-One Strategy for Fluorene-Based Spirocycles via Pd(0)-Catalyzed Spiroannulation of o-Iodobiaryls with Bromonaphthols","Chemical Science","2020","","","","","10.1039/D0SC04386A","","","0.71073","MoKα","","0.0768","0.0494","","","0.1193","0.1405","","","","","","1.033","","","","has coordinates","256234","2020-10-21","18:00:00",""
"1559009","8.218","0.005","12.135","0.007","18.051","0.01","90","","98.865","0.01","90","","1778.6","1.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Br O2 -","- C23 H15 Br O2 -","- C92 H60 Br4 O8 -","4","1","","Tan, Bojun; Liu, Long; Zheng, Huayu; Cheng, Tianyi; Zhu, Dianhu; Yang, Xiaofeng; Luan, Xinjun","Two-in-One Strategy for Fluorene-Based Spirocycles via Pd(0)-Catalyzed Spiroannulation of o-Iodobiaryls with Bromonaphthols","Chemical Science","2020","","","","","10.1039/D0SC04386A","","","0.71073","MoKα","","0.1824","0.0661","","","0.1505","0.213","","","","","","0.955","","","","has coordinates","256234","2020-10-21","18:00:00",""
"1559010","12.3186","0.0004","12.3186","0.0004","49.0829","0.0017","90","","90","","120","","6450.4","0.4","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate nickel triphenylstannide","","- C54 H49 B N6 Ni Sn -","- C48 H43 B N6 Ni Sn -","- C288 H258 B6 N36 Ni6 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.0327","","","0.0823","0.0871","","","","","","1.05","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559011","11.0364","0.0008","15.2242","0.0013","16.1001","0.0013","90","","94.548","0.002","90","","2696.6","0.4","100","","100.11","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hydrotris(3-phenyl-5-methylpyrazolyl)borate zinc(II) chloride","","- C30 H28 B Cl N6 Zn -","- C30 H28 B Cl N6 Zn -","- C120 H112 B4 Cl4 N24 Zn4 -","4","1","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0926","0.0469","","","0.09","0.1048","","","","","","1.01","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559012","12.3859","0.0004","12.3859","0.0004","48.7382","0.0018","90","","90","","120","","6475.2","0.4","100","","99.99","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate zinc triphenylstannide","","- C54 H49 B N6 Sn Zn -","- C48 H43 B N6 Sn Zn -","- C288 H258 B6 N36 Sn6 Zn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0501","0.0422","","","0.1096","0.1172","","","","","","1.088","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559013","12.3722","0.0002","12.3722","0.0002","48.7964","0.001","90","","90","","120","","6468.6","0.2","100","","100.01","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate iron triphenylstannide","","- C54 H49 B Fe N6 Sn -","- C48 H43 B Fe N6 Sn -","- C288 H258 B6 Fe6 N36 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.0303","","","0.0706","0.0771","","","","","","1.049","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559014","12.023","0.0013","12.023","0.0013","32.558","0.003","90","","90","","120","","4075.8","0.7","100","","100.07","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","hydrotris(3-phenyl-5-methylpyrazolyl)borate magnanese(II) choride","","- C30 H28 B Cl Mn N6 -","- C30 H28 B Cl Mn N6 -","- C180 H168 B6 Cl6 Mn6 N36 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.031","","","0.068","0.0718","","","","","","1.061","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559015","12.3824","0.0006","12.3824","0.0006","49.104","0.002","90","","90","","120","","6520.1","0.5","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate manganese triphenylstannide","","- C54 H49 B Mn N6 Sn -","- C48 H43 B Mn N6 Sn -","- C288 H258 B6 Mn6 N36 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0653","0.0533","","","0.149","0.1647","","","","","","1.048","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559016","9.707","0.0003","12.3991","0.0006","13.7578","0.0006","110.62","0.004","90.804","0.003","101.885","0.003","1509.77","0.12","102","3","100.15","","","","","","","","","6","P -1","-P 1","2","","(Z)-(3-Benzyl-2-((2-fluorophenyl)imino)thiazolidin-4-yl)methanol","","- C17 H17 F N2 O S -","- C17 H17 F N2 O S -","- C68 H68 F4 N8 O4 S4 -","4","2","","Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei","3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions","Chemical Science","2020","","","","","10.1039/D0SC04254D","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0695","0.0705","","","","","","1.023","","","","has coordinates","256236","2020-10-21","18:00:00",""
"1559017","10.7941","0.0003","9.6492","0.0003","14.6149","0.0004","90","","109.529","0.003","90","","1434.64","0.08","99.9","0.5","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(3-Benzyl-2-(phenylimino)oxazolidin-4-yl)methanol","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei","3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions","Chemical Science","2020","","","","","10.1039/D0SC04254D","","x-ray","1.54184","CuKα","","0.042","0.0336","","","0.0844","0.0902","","","","","","1.024","","","","has coordinates","256236","2020-10-21","18:00:00",""
"1559018","24.7168","0.0008","16.6156","0.0005","8.3805","0.0003","90","","90","","90","","3441.7","0.2","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","","- C10 H32 Cl2 N4 Ni O2 -","- C10 H32 Cl2 N4 Ni O2 -","- C80 H256 Cl16 N32 Ni8 O16 -","8","0.5","WM4136","Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","IUCrData","2020","5","9","x201182","","10.1107/S2414314620011827","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","256244","2020-10-21","18:00:00",""
"1559019","5.5622","0.0007","18.891","0.002","9.6524","0.0013","90","","104.454","0.013","90","","982.1","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1<i>H</i>-indole-2-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","BH4054","Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W.","Ethyl 1<i>H</i>-indole-2-carboxylate","IUCrData","2020","5","9","x201205","","10.1107/S2414314620012055","","x-ray","0.71073","MoKα","","0.1062","0.0494","","","0.1134","0.1436","","","","","","1.009","","","","has coordinates,has Fobs","256245","2020-10-21","18:00:00",""
"1559020","7.4768","0.0003","16.219","0.0009","19.4101","0.001","90","","90","","90","","2353.8","0.2","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-Spirost-4-en-3,6-dione","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","ZQ4041","Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe","Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~","IUCrData","2020","5","9","x201200","","10.1107/S2414314620012006","","x-ray","0.56083","AgKα","","0.0694","0.0396","","","0.0825","0.0911","","","","","","0.884","","","","has coordinates,has Fobs","256246","2020-10-21","18:00:00",""
"1559021","12.71423","0.00013","17.04149","0.00018","26.1784","0.0003","90","","96.7054","0.0009","90","","5633.26","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","","- C116 H112 O16 Os4 P4 -","- C116 H112 O16 Os4 P4 -","- C232 H224 O32 Os8 P8 -","2","0.5","WM4137","Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W.","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","IUCrData","2020","5","9","x201204","","10.1107/S2414314620012043","","x-ray","1.54184","CuKα","","0.0284","0.0273","","","0.069","0.0697","","","","","","1.056","","","","has coordinates,has Fobs","256247","2020-10-21","18:00:00",""
"1559022","9.642","0.005","11.407","0.005","17.858","0.008","90","","103.606","0.005","90","","1909","1.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","HB4357","Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","IUCrData","2020","5","9","x201213","","10.1107/S2414314620012134","","","0.71073","MoKα","","0.0616","0.0427","","","0.0975","0.1081","","","","","","1.033","","","","has coordinates,has Fobs","256248","2020-10-21","18:00:00",""
"1559023","12.4519","0.0005","7.8785","0.0003","15.668","0.0007","90","","105.253","0.0016","90","","1482.92","0.11","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","HB4362","Sung, Jiha","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","9","x201209","","10.1107/S2414314620012092","","","0.71073","MoKα","","0.06","0.0424","","","0.102","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","256249","2020-10-21","18:00:00",""
"1559028","11.2627","0.0002","15.9727","0.0003","16.0123","0.0002","96.714","0.001","91.29","0.001","102.351","0.002","2791.22","0.08","220","2","220","","","","","","","","","6","P -1","-P 1","2","","[ReH8BBN4][K(18c6)(DME)]","","- C48 H98.03 B4 K O8 Re -","- C48 H98.042 B4 K O8 Re -","- C96 H196.084 B8 K2 O16 Re2 -","2","1","","Donnelly, Liam J.; Parsons, Simon; Morrison, Carole A.; Thomas, Stephen P.; Love, Jason B.","Synthesis and structures of anionic rhenium polyhydride complexes of boron‒hydride ligands and their application in catalysis","Chemical Science","2020","","","","","10.1039/D0SC03458D","","x-ray","0.71073","MoKα","","0.0282","0.0227","","","0.0444","0.0461","","","","","","1.039","","","","has coordinates,has disorder","256286","2020-10-21","18:00:00",""
"1559029","13.716","0.0014","23.102","0.002","14.7725","0.0015","90","","91.81","0.003","90","","4678.6","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[ReH7(Bpin)3][K(18c6)(DME)]","","- C34 H77 B3 K O14 Re -","- C34 H77 B3 K O14 Re -","- C136 H308 B12 K4 O56 Re4 -","4","0.5","","Donnelly, Liam J.; Parsons, Simon; Morrison, Carole A.; Thomas, Stephen P.; Love, Jason B.","Synthesis and structures of anionic rhenium polyhydride complexes of boron‒hydride ligands and their application in catalysis","Chemical Science","2020","","","","","10.1039/D0SC03458D","","","0.71073","MoKα","","0.0764","0.0632","","","0.1256","0.1304","","","","","","1.149","","","","has coordinates","256286","2020-10-21","18:00:00",""
"1559030","13.387","0.003","5.4878","0.0011","24.641","0.005","90","","90.13","0.006","90","","1810.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O S2 -","- C19 H21 N3 O S2 -","- C76 H84 N12 O4 S8 -","4","1","","Castellano, Ronald K.; Kornman, Cory T.; Li, Lei; Weldeab, Asmerom O.; Ghiviriga, Ion; Abboud, Khalil A.","Photoisomerization of Dicyanorhodanine-Functionalized Thiophenes","Chemical Science","2020","","","","","10.1039/D0SC04409A","","","0.71073","MoKα","","0.0651","0.0519","","","0.1003","0.1043","","","","","","1.084","","","","has coordinates,has disorder","256287","2020-10-21","18:00:00",""
"1559031","26.651","0.005","27.05","0.005","36.959","0.007","90","","98.81","0.03","90","","26330","9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C218 H159 F48 Fe10 N49 O32 S16 -","- C218 H159 F48 Fe10 N49 O32 S16 -","- C872 H636 F192 Fe40 N196 O128 S64 -","4","1","","Plajer, Alex J.; Rizzuto, Felix; von Krbek, Larissa K. S.; Gisbert, Yohan; Martínez-Agramunt, Víctor; Nitschke, Jonathan","Oxidation triggers guest dissociation during reorganization of an FeII4L6 twisted parallelogram","Chemical Science","2020","","","","","10.1039/D0SC04352D","","","0.6889","Synchrotron","","0.1792","0.1492","","","0.3261","0.3409","","","","","","1.059","","","","has coordinates,has disorder","256288","2020-10-21","18:00:00",""
"1559032","12.3046","0.001","8.9443","0.0008","9.132","0.0007","90","","98.241","0.007","90","","994.65","0.14","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 S2 -","- C26 H18 S2 -","- C52 H36 S4 -","2","0.5","","Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R.","Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives.","Nanoscale","2020","12","36","18908","18917","10.1039/d0nr04413j","","x-ray","0.71073","MoKα","","0.0608","0.0479","","","0.1246","0.1376","","","","","","1.047","","","","has coordinates","257629","2020-10-21","18:00:00",""
"1559033","9.7811","0.0004","23.2361","0.0011","11.2452","0.0005","90","","108.171","0.002","90","","2428.29","0.19","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 S2 -","- C34 H22 S2 -","- C136 H88 S8 -","4","1","","Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R.","Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives.","Nanoscale","2020","12","36","18908","18917","10.1039/d0nr04413j","","x-ray","0.71073","MoKα","","0.072","0.0465","","","0.114","0.1245","","","","","","1.029","","","","has coordinates,has disorder","257629","2020-10-21","18:00:00",""
"1559040","8.491","0.005","20.059","0.004","11.557","0.0006","90","","94.884","0.015","90","","1961.3","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 Pd -","- C23 H19 Cl N2 Pd -","- C92 H76 Cl4 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0187","0.0186","","","0.0568","0.057","","","","","","1.095","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559041","12.9481","0.0005","12.0822","0.0003","11.108","0.0005","90","","114.126","0.005","90","","1585.96","0.12","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 Pd -","- C18 H17 Cl N2 Pd -","- C72 H68 Cl4 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","x-ray","0.71073","MoKα","","0.0378","0.0261","","","0.0509","0.0551","","","","","","1.048","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559042","11.747","0.005","8.75","0.005","20.833","0.003","90","","103.795","0.01","90","","2079.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl3 N2 Pd -","- C22 H19 Cl3 N2 Pd -","- C88 H76 Cl12 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0428","0.0422","","","0.1124","0.1129","","","","","","1.047","","","","has coordinates,has disorder","257167","2020-10-21","18:00:00",""
"1559043","11.839","0.0013","9.79","0.0018","15.847","0.002","90","","111.699","0.014","90","","1706.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H16 Cl2 N2 Pd -","- C17.5 H16 Cl2 N2 Pd -","- C70 H64 Cl8 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.024","0.024","","","0.0662","0.0662","","","","","","1.127","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559044","8.939","0.004","10.618","0.0017","38.547","0.005","90","","90","","90","","3658.7","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl N2 Pd -","- C22 H19 Cl N2 Pd -","- C176 H152 Cl8 N16 Pd8 -","8","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0362","0.0361","","","0.1052","0.1053","","","","","","1.011","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559045","7.516","0.01","12.357","0.004","19.84","0.005","90","","90","","90","","1843","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl3 N2 Pd -","- C18 H17 Cl3 N2 Pd -","- C72 H68 Cl12 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0358","0.0338","","","0.0849","0.086","","","","","","1.062","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559046","12.741","0.004","12.741","0.004","13.871","0.004","90","","90","","90","","2251.7","1.2","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","C6H6Â.[(C6H11NC)2Au]AsF6","","","- C20 H28 As Au F6 N2 -","- C20 H28 As Au F6 N2 -","- C80 H112 As4 Au4 F24 N8 -","4","0.25","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0362","0.0304","","","0.0922","0.0984","","","","","","1.119","","","","has coordinates,has disorder","256329","2020-10-21","18:00:00",""
"1559047","12.948","0.004","12.948","0.004","13.943","0.004","90","","90","","90","","2337.6","1.2","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","C6H6Â.[(C6H11NC)2Au]SbF6","","","- C20 H28 Au F6 N2 Sb -","- C20 H28 Au F6.002 N2 Sb -","- C80 H112 Au4 F24.008 N8 Sb4 -","4","0.25","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0568","0.0357","","","0.0848","0.0946","","","","","","1.168","","","","has coordinates,has disorder","256329","2020-10-21","18:00:00",""
"1559048","23.708","0.003","9.1838","0.001","23.643","0.003","90","","114.129","0.002","90","","4698","1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(C6H11NC)2Au]BArF24","","","- C46 H34 Au B F24 N2 -","- C46 H34 Au B F24 N2 -","- C184 H136 Au4 B4 F96 N8 -","4","0.5","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0252","0.0192","","","0.0449","0.0469","","","","","","1.029","","","","has coordinates","256329","2020-10-21","18:00:00",""
"1559049","7.1789","0.0009","8.6698","0.0011","24.751","0.003","90","","90","","90","","1540.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying","Asymmetric allylic substitution‒isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer","Chemical Science","2020","","","","","10.1039/D0SC02828B","","","1.34139","GaKα","","0.1141","0.0874","","","0.1737","0.1863","","","","","","1.169","","","","has coordinates","256330","2020-10-21","18:00:00",""
"1559050","8.9647","0.0003","9.7465","0.0004","9.235","0.0003","90","","110.225","0.001","90","","757.15","0.05","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying","Asymmetric allylic substitution‒isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer","Chemical Science","2020","","","","","10.1039/D0SC02828B","","","1.34139","GaKα","","0.0263","0.0261","","","0.0734","0.0737","","","","","","1.068","","","","has coordinates","256330","2020-10-21","18:00:00",""
"1559051","18.2371","0.0009","9.7175","0.0004","19.5071","0.0009","90","","111.276","0.002","90","","3221.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H57 B2 N5 -","- C31 H57 B2 N5 -","- C124 H228 B8 N20 -","4","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0698","0.049","","","0.1129","0.1279","","","","","","1.042","","","","has coordinates,has disorder","256331","2020-10-21","18:00:00",""
"1559052","9.71","0.002","11.4","0.002","18.312","0.004","88.07","0.005","79.88","0.005","65.914","0.005","1820.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H65 B2 N5 -","- C37 H65 B2 N5 -","- C74 H130 B4 N10 -","2","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0959","0.0529","","","0.1081","0.1242","","","","","","1.012","","","","has coordinates","256331","2020-10-21","18:00:00",""
"1559053","19.3664","0.001","9.5507","0.0004","15.9131","0.0008","90","","92.197","0.002","90","","2941.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H52 B2 N3 P -","- C27 H52 B2 N3 P -","- C108 H208 B8 N12 P4 -","4","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.076","0.0447","","","0.0938","0.109","","","","","","1.012","","","","has coordinates,has disorder","256331","2020-10-21","18:00:00",""
"1559054","9.5211","0.001","15.981","0.0018","20.203","0.002","91.628","0.003","90.566","0.003","91.556","0.003","3071.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B2 N3 Te -","- C30 H48 B2 N3 Te -","- C120 H192 B8 N12 Te4 -","4","2","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0695","0.0442","","","0.0908","0.1","","","","","","0.977","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1559055","12.0336","0.0007","16.4117","0.0007","16.9907","0.0009","90","","109.529","0.004","90","","3162.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 B2 N5 -","- C31 H53 B2 N5 -","- C124 H212 B8 N20 -","4","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.1034","0.0523","","","0.108","0.1315","","","","","","1.016","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559056","9.5614","0.0004","15.9406","0.0005","19.9983","0.0008","92.415","0.001","90.487","0.001","91.622","0.001","3044","0.2","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B2 N3 Se -","- C30 H48 B2 N3 Se -","- C120 H192 B8 N12 Se4 -","4","2","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0358","0.0303","","","0.0771","0.0806","","","","","","1.025","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1559057","9.7052","0.0007","16.6173","0.0011","15.6111","0.001","90","","107.433","0.004","90","","2402","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H28 O4 -","- C29 H28 O4 -","- C116 H112 O16 -","4","2","","Zhu, Zhou-Hao; Ding, Yi-Xuan; Wu, Bo; Zhou, Yong-Gui","Design and Synthesis of Chiral and Regenerable [2.2]Paracyclophane-Based NAD(P)H Models and Application in Biomimetic Reduction of Flavonoids","Chemical Science","2020","","","","","10.1039/D0SC04188B","","","1.54178","CuKα","","0.1176","0.0748","","","0.185","0.2229","","","","","","1.043","","","","has coordinates","256332","2020-10-21","18:00:00",""
"1559058","6.6633","0.0002","19.2862","0.0004","19.419","0.0004","90","","90","","90","","2495.53","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O5 -","- C30 H30 O5 -","- C120 H120 O20 -","4","1","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","1.54178","CuKα","","0.0966","0.0926","","","0.2421","0.2483","","","","","","1.061","","","","has coordinates","256333","2020-10-21","18:00:00",""
"1559059","13.3144","0.0009","9.8595","0.0007","14.5355","0.001","90","","95.339","0.002","90","","1899.8","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H37 Cl3 N4 O7 -","- C41 H37 Cl3 N4 O7 -","- C82 H74 Cl6 N8 O14 -","2","1","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","0.71073","MoKα","","0.0776","0.0644","","","0.1816","0.2025","","","","","","1.068","","","","has coordinates,has disorder","256333","2020-10-21","18:00:00",""
"1559060","6.6786","0.0013","19.494","0.004","21.437","0.004","90","","92.008","0.009","90","","2789.2","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H30 O6 -","- C34 H30 O6 -","- C136 H120 O24 -","4","2","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","1.54178","CuKα","","0.2052","0.0967","","","0.2063","0.2695","","","","","","0.944","","","","has coordinates","256333","2020-10-21","18:00:00",""
"1559061","9.1739","0.0016","11.503","0.002","14.471","0.003","91.549","0.004","92.383","0.004","113.406","0.004","1398.6","0.5","110","2","109.98","","","","","","","","","6","P -1","-P 1","2","","BrC30Cl2SSb","","- C31 H26 Br Cl2 S Sb -","- C31 H26 Br Cl2 S Sb -","- C62 H52 Br2 Cl4 S2 Sb2 -","2","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0403","0.0339","","","0.0773","0.0819","","","","","","1.055","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559062","7.9877","0.0011","15.558","0.002","21.445","0.003","90","","90","","90","","2665","0.6","110","2","110.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","C30H24SBF4Sb","","- C30 H24 B F4 S Sb -","- C30 H24 B F4 S Sb -","- C120 H96 B4 F16 S4 Sb4 -","4","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","x-ray","0.71073","MoKα","","0.0312","0.0289","","","0.075","0.077","","","","","","1.072","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559063","16.7041","0.0012","10.2829","0.0007","17.9121","0.0013","90","","107.86","0.002","90","","2928.4","0.4","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Br S Sb -","- C33 H30 Br S Sb -","- C132 H120 Br4 S4 Sb4 -","4","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0698","0.049","","","0.1124","0.1207","","","","","","1.16","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559064","20.555","","12.162","","24.558","","90","","101.94","","90","","6006.43","","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 B F4 S Sb -","- C33 H30 B F4 S Sb -","- C264 H240 B8 F32 S8 Sb8 -","8","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0298","0.0219","","","0.0465","0.0499","","","","","","1.062","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559065","15.494","0.002","10.9891","0.0016","19.761","0.003","90","","110.566","0.007","90","","3150.2","0.8","110","","109.98","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","J_Me_BF4","","- C64 H58 B3 Cl4 F13 S2 Sb2 -","- C64 H58 B3 Cl4 F13 S2 Sb2 -","- C128 H116 B6 Cl8 F26 S4 Sb4 -","2","0.5","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0471","0.0405","","","0.1013","0.11","","","","","","1.11","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559070","42.9589","0.0006","42.9589","0.0006","42.9589","0.0006","90","","90","","90","","79279.2","1.9","150","2","150","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C640 H644 B24 Cd12 F96 N188 O4 -","- C480 H396 Cd12 N108 O4 -","- C1920 H1584 Cd48 N432 O16 -","4","0.0833333","","Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.","A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces","Chemical Science","2020","","","","","10.1039/D0SC04347H","","x-ray","1.54184","CuKα","","0.1246","0.1104","","","0.2944","0.3288","","","","","","1.791","","","","has coordinates","256370","2020-10-21","18:00:00",""
"1559071","89.68","0.03","24.7801","0.001","51.463","0.019","90","","147.82","0.09","90","","60909","16","150.04","0.11","150.04","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C504 H472 B24 Cd12 F96 N120 O20 -","- C480 H396 B10.5 Cd12 F42 N108 O9.24 -","- C1920 H1584 B42 Cd48 F168 N432 O36.96 -","4","0.5","","Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.","A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces","Chemical Science","2020","","","","","10.1039/D0SC04347H","","x-ray","1.54184","CuKα","","0.1632","0.1287","","","0.3762","0.4159","","","","","","1.565","","","","has coordinates,has disorder","256370","2020-10-21","18:00:00",""
"1559072","26.5845","0.0008","53.3766","0.001","44.0442","0.0008","90","","94.842","0.002","90","","62275","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C560 H556 B24 Cd12 F96 N148 O20 -","- C506.12 H432.02 B16.597 Cd12 F66.388 N117.74 O19.7 -","- C2024.48 H1728.08 B66.388 Cd48 F265.552 N470.96 O78.8 -","4","1","","Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.","A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces","Chemical Science","2020","","","","","10.1039/D0SC04347H","","x-ray","1.54184","CuKα","","0.186","0.151","","","0.3876","0.4184","","","","","","1.429","","","","has coordinates,has disorder","256370","2020-10-21","18:00:00",""
"1559073","3.7464","0.0002","11.8946","0.0006","20.2094","0.0011","90","","93.506","0.002","90","","898.88","0.08","113","2","113","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H2.5 O4 S8 -","- C12 H2.5 O4 S8 -","- C24 H5 O8 S16 -","2","0.5","","Kobayashi, Yuka; Hirata, Kazuto; Hood, Samantha; Yang, Hui; Walsh, Aron; Matsushita, Yoshitaka; Ishioka, Kunie","Crystal structure and metallization mechanism of the π-radical metal TED","Chemical Science","2020","","","","","10.1039/D0SC03521A","","","0.71073","MoKα","","0.0573","0.0538","","","0.1571","0.1595","","","","","","1.154","","","","has coordinates","256371","2020-10-21","18:00:00",""
"1559074","9.394","0.005","9.802","0.005","11.914","0.006","88.983","0.005","73.144","0.005","69.488","0.005","979","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","","- C27 H19 F2 N -","- C27 H19 F2 N -","- C54 H38 F4 N2 -","2","1","HB4358","Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","IUCrData","2020","5","9","x201241","","10.1107/S2414314620012419","","","0.71073","MoKα","","0.081","0.0627","","","0.1751","0.1895","","","","","","1.057","","","","has coordinates,has Fobs","256388","2020-10-21","18:00:00",""
"1559075","7.725","0.003","12.721","0.003","14.609","0.004","70.67","0.03","82.88","0.03","80.46","0.03","1332.3","0.8","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","","- C28 H24 Co F6 Fe2 O6 -","- C28 H24 Co F6 Fe2 O6 -","- C56 H48 Co2 F12 Fe4 O12 -","2","1","HB4360","Wang, Shujing; Han, Heguo; Han, Yuyang","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","IUCrData","2020","5","9","x201240","","10.1107/S2414314620012407","","","1.54186","CuKα","","0.07","0.0485","","","0.1138","0.1273","","","","","","1.05","","","","has coordinates,has Fobs","256389","2020-10-21","18:00:00",""
"1559081","11.3797","0.001","8.082","0.0004","28.058","0.002","90","","99.811","0.006","90","","2542.8","0.3","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5α-Spirostan-3β,5-diol","","- C27 H45 O4.5 -","- C27 H45 O4.5 -","- C108 H180 O18 -","4","2","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1376","0.041","","","0.0571","0.0698","","","","","","0.602","","","","has coordinates","260727","2021-01-07","05:35:31",""
"1559082","8.3599","0.0003","10.7489","0.0004","28.4769","0.0014","90","","90","","90","","2558.93","0.18","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-Cholestane-3β,6β-diol","","- C27 H48 O2 -","- C27 H48 O2 -","- C108 H192 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0987","0.043","","","0.0862","0.0977","","","","","","0.767","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559083","8.1858","0.0003","10.4115","0.0006","30.9258","0.0012","90","","90","","90","","2635.7","0.2","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5β-Cholestane-3β,6β-diol","","- C27 H47 D O2 -","- C27 H47 D O2 -","- C108 H188 D4 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1241","0.0493","","","0.1181","0.1381","","","","","","0.811","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559084","8.2099","0.0002","9.1989","0.0003","32.4182","0.0014","90","","90","","90","","2448.29","0.15","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25R)-5β-Spirostan-3β,6β-diol","","- C27 H44 O4 -","- C27 H44 O4 -","- C108 H176 O16 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0681","0.0391","","","0.0768","0.083","","","","","","0.863","","","","has coordinates","260727","2021-01-07","05:35:32",""
"1559089","10.4344","0.0002","12.4456","0.0003","16.3498","0.0004","90","","96.795","0.002","90","","2108.31","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl Ir N O -","- C22 H30 Cl Ir N O -","- C88 H120 Cl4 Ir4 N4 O4 -","4","1","","Shimizu, Hideo; Maeda, Hironori; Nara, Hideki","Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00362","","x-ray","0.71073","MoKα","","0.0336","0.0253","","","0.0535","0.0561","","","","","","1.021","","","","has coordinates","256434","2020-10-21","18:00:00",""
"1559090","8.6176","0.0002","9.8322","0.0003","26.348","0.0008","90","","96.471","0.003","90","","2218.24","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl Ir N O2 -","- C22 H30 Cl Ir N O2 -","- C88 H120 Cl4 Ir4 N4 O8 -","4","1","","Shimizu, Hideo; Maeda, Hironori; Nara, Hideki","Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00362","","x-ray","0.71073","MoKα","","0.0426","0.0321","","","0.065","0.0706","","","","","","1.062","","","","has coordinates","256435","2020-10-21","18:00:00",""
"1559091","7.68126","0.00019","22.6995","0.0005","17.94","0.0003","90","","95.2798","0.0019","90","","3114.76","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl4 N O4 S -","- C30 H31 Cl4 N O4 S -","- C120 H124 Cl16 N4 O16 S4 -","4","1","","Lv, Mengya; Zhang, Yanhao; Fan, Jiayi; Yang, Yanyun; Chen, Sheng; Liang, Gaolin; Zhang, Shusheng","A near-infrared fluorescent probe for ratiometric sensing of SO2 in cells and zebrafish","The Analyst","2020","","","","","10.1039/D0AN01468K","","x-ray","1.54184","CuKα","","0.0839","0.0683","","","0.197","0.2148","","","","","","1.05","","","","has coordinates,has disorder","256436","2020-10-21","18:00:00",""
"1559092","13.2096","0.0014","4.9765","0.0005","13.5673","0.0014","90","","98.603","0.002","90","","881.85","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidine‒succinic acid (2/1)","","- C12 H16 Cl2 N8 O4 -","- C12 H16 Cl2 N8 O4 -","- C24 H32 Cl4 N16 O8 -","2","0.5","HB4365","Chakkarapani, Nandhini; Murugan, Suganya; Ibrahim, Abdul Razak; Kavitha, Savaridasan Jose; Hemamalini, Madhukar; Rajakannan, Venkatachalam","2,6-Diamino-4-chloropyrimidine‒succinic acid (2/1)","IUCrData","2020","5","9","x201239","","10.1107/S2414314620012390","","","0.71073","MoKα","","0.0545","0.0434","","","0.1171","0.1282","","","","","","1.04","","","","has coordinates,has Fobs","256454","2020-10-21","18:00:00",""
"1559093","8.4636","0.0013","9.8402","0.0015","22.701","0.003","90","","105.917","0.005","90","","1818.1","0.5","296.15","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C20 H14 N6 -","- C20 H14 N6 -","- C80 H56 N24 -","4","1","HB4363","Cai, Changting; Lin, Bicheng; Wu, Wenxuan; Zhu, Qingwei","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","IUCrData","2020","5","9","x201246","","10.1107/S2414314620012468","","","0.71073","MoKα","","0.0491","0.0419","","","0.1083","0.1141","","","","","","1.033","","","","has coordinates,has Fobs","256455","2020-10-21","18:00:00",""
"1559094","7.7633","0.0002","10.4691","0.0003","22.3209","0.0007","90","","90.211","0.001","90","","1814.11","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 O5.5 -","- C20 H24 O5.5 -","- C80 H96 O22 -","4","2","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0782","0.0755","","","0.1916","0.2016","","","","","","1.048","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1559095","9.4086","0.0002","11.8075","0.0003","18.603","0.0004","90","","90","","90","","2066.65","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0429","0.0425","","","0.114","0.1146","","","","","","1.052","","","","has coordinates","257123","2020-10-21","18:00:00",""
"1559096","20.0884","0.0009","7.2756","0.0003","20.7899","0.0009","90","","99.331","0.003","90","","2998.3","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 B Br F3 N2 O2 -","- C11 H15 B Br F3 N2 O2 -","- C88 H120 B8 Br8 F24 N16 O16 -","8","1","","Tairov, Maxim A.; Levchenko, Vitalina; Stadniy, Ivan A.; Dmytriv, Yurii V.; Dehtiarov, Serhii O.; Kibalnyi, Mykola O.; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Kolotilov, Sergey V.; Ryabukhin, Sergey V.; Volochnyuk, Dmitriy M.","Practical Synthetic Method for Functionalized 1-Methyl-3/5-(trifluoromethyl)-1H-pyrazoles","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00300","","","0.71073","MoKα","","0.093","0.0434","","","0.0839","0.1005","","","","","","1.01","","","","has coordinates","256473","2020-10-21","18:00:00",""
"1559097","8.7417","0.0005","11.0177","0.0006","19.073","0.0011","90","","101.123","0.006","90","","1802.48","0.18","199.9","0.2","199.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0689","0.0509","","","0.1227","0.1331","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559098","8.9007","0.0004","11.1893","0.0004","18.1967","0.0007","90","","93.764","0.004","90","","1808.35","0.13","199.9","0.2","199.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N -","- C23 H19 F2 N -","- C92 H76 F8 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0638","0.0498","","","0.1323","0.1425","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559099","7.7","0.0005","8.2465","0.0005","17.9156","0.0008","89.138","0.004","79.878","0.004","75.346","0.005","1082.95","0.11","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H62 Si2 -","- C52 H62 Si2 -","- C52 H62 Si2 -","1","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","x-ray","0.71073","MoKα","","0.0589","0.0448","","","0.1166","0.1234","","","","","","1.051","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559100","8.8789","0.0006","12.7356","0.0005","14.6701","0.0009","99.626","0.004","104.748","0.006","98.811","0.004","1547.94","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H90 Si2 -","- C78 H90 Si2 -","- C78 H90 Si2 -","1","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","x-ray","0.71073","MoKα","","0.0803","0.0585","","","0.1336","0.1435","","","","","","1.03","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559101","11.6952","0.0003","12.3024","0.0003","18.2803","0.0005","72.922","0.001","72.859","0.001","66.635","0.001","2259.89","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H60 O Si2 -","- C52 H60 O Si2 -","- C104 H120 O2 Si4 -","2","1","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","","0.71073","MoKα","","0.1077","0.0801","","","0.2111","0.2323","","","","","","1.052","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559102","8.1631","0.0003","13.8454","0.0006","21.1693","0.0008","90","","91.995","0.004","90","","2391.13","0.16","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","x-ray","0.71073","MoKα","","0.0587","0.0421","","","0.0971","0.1027","","","","","","1.028","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559103","12.4231","0.0004","13.9327","0.0005","21.1782","0.0007","96.811","0.003","101.236","0.003","108.67","0.003","3341","0.2","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C73.5 H92 N4 O4 Si2 -","- C73.5 H92 N4 O4 Si2 -","- C147 H184 N8 O8 Si4 -","2","1","","Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning","Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC03744C","","","0.71073","MoKα","","0.1201","0.0818","","","0.22","0.2446","","","","","","1.026","","","","has coordinates,has disorder","256483","2020-10-21","18:00:00",""
"1559104","26.37","0.002","26.4347","0.001","24.2245","0.0019","90","","120.504","0.008","90","","14549","2","169.99","0.13","169.99","0.13","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C154 H176 Br4 F8 N8 O8 Si4 -","- C154 H176 Br4 F8 N8 O8 Si4 -","- C616 H704 Br16 F32 N32 O32 Si16 -","4","0.5","","Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning","Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC03744C","","x-ray","1.54178","CuKα","","0.1675","0.1345","","","0.347","0.3635","","","","","","2.092","","","","has coordinates","256483","2020-10-21","18:00:00",""
"1559105","18.8621","0.0003","25.042","0.0003","34.0452","0.0006","74.283","0.001","77.959","0.002","68.381","0.002","14284.1","0.4","169.99","0.13","169.99","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C154 H184 Br4 N8 O8 Si4 -","- C154 H184 Br4 N8 O8 Si4 -","- C616 H736 Br16 N32 O32 Si16 -","4","2","","Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning","Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC03744C","","x-ray","1.54184","CuKα","","0.1389","0.1103","","","0.2929","0.3159","","","","","","1.945","","","","has coordinates,has disorder","256483","2020-10-21","18:00:00",""
"1559106","10.2793","0.0003","20.7357","0.0006","10.878","0.0003","90","","104.681","0.003","90","","2242.93","0.12","290.99","0.1","290.99","0.1","","","","","","","Obtained by synthesis","5","P 1 21/c 1","-P 2ybc","14","","methyl 2-(2,5-diphenylthiophen-3-yl)ferrocenylformate","","- C28 H22 Fe O2 S -","- C28 H22 Fe O2 S -","- C112 H88 Fe4 O8 S4 -","4","1","","Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong","Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property","Chemical Science","2020","","","","","10.1039/D0SC04597G","","x-ray","1.54184","CuKα","","0.078","0.07","","","0.2181","0.2244","","","","","","1.127","","","","has coordinates","256484","2020-10-21","18:00:00",""
"1559107","13.4843","0.0005","14.5316","0.0006","26.5664","0.001","90","","90","","90","","5205.6","0.3","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H30 Fe N O1.5 -","- C32 H30 Fe N O1.5 -","- C256 H240 Fe8 N8 O12 -","8","1","","Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong","Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property","Chemical Science","2020","","","","","10.1039/D0SC04597G","","x-ray","0.71073","MoKα","","0.0858","0.0448","","","0.0954","0.1091","","","","","","1.001","","","","has coordinates","256484","2020-10-21","18:00:00",""
"1559108","8.89899","0.0001","15.8901","0.0002","19.5785","0.0002","90","","97.0681","0.0012","90","","2747.48","0.05","293.06","0.1","293.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Fe N O S -","- C34 H27 Fe N O S -","- C136 H108 Fe4 N4 O4 S4 -","4","1","","Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong","Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property","Chemical Science","2020","","","","","10.1039/D0SC04597G","","x-ray","1.54184","CuKα","","0.063","0.0522","","","0.1381","0.1473","","","","","","1.018","","","","has coordinates","256484","2020-10-21","18:00:00",""
"1559109","7.402","0.0002","13.4298","0.0004","26.9766","0.0009","90","","90","","90","","2681.67","0.14","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O9 -","- C30 H38 O9 -","- C120 H152 O36 -","4","1","","Wang, Cheng; Li, Shang; Zhao, Jinhua; Yang, Huali; Yin, Fucheng; Ding, Ming; Luo, Jianguang; Wang, Xiao-Bing; Kong, Ling-Yi","Design and SAR of withangulatin A analogs that act as covalent TrxR inhibitors through Michael addition reaction showing potential in cancer treatment.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01128","","","1.54178","CuKα","","0.0644","0.0468","","","0.0996","0.1108","","","","","","0.995","","","","has coordinates","256495","2020-10-21","18:00:00",""
"1559110","7.3618","0.0001","14.3967","0.0004","14.8046","0.0003","64.933","0.002","83.768","0.002","83.692","0.002","1409.33","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 F3 N2 O3 -","- C14 H13 F3 N2 O3 -","- C56 H52 F12 N8 O12 -","4","2","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","x-ray","1.54184","CuKα","","0.0327","0.0322","","","0.0805","0.0809","","","","","","1.056","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1559111","6.2073","0.0002","7.638","0.0001","34.6279","0.0009","90","","90","","90","","1641.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C72 H72 F12 N4 O8 -","4","1","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","x-ray","1.54178","CuKα","","0.1281","0.1262","","","0.3226","0.3242","","","","","","1.087","","","","has coordinates","256512","2020-10-21","18:00:00",""
"1559112","12.227","0.005","15.501","0.005","12.834","0.004","90","","100.74","0.02","90","","2389.8","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 F3 N2 O3 -","- C24 H25 F3 N2 O3 -","- C96 H100 F12 N8 O12 -","4","2","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","","1.54178","CuKα","","0.0851","0.0541","","","0.1301","0.1475","","","","","","1.028","","","","has coordinates","256512","2020-10-21","18:00:00",""
"1559113","15.1464","0.0002","16.9612","0.0002","26.1549","0.0002","90","","103.943","0.001","90","","6521.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H89 In N2 O3 P2 -","- C65 H89 In N2 O3 P2 -","- C260 H356 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0312","0.0275","","","0.0699","0.0722","","","","","","1.025","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559114","11.4385","0.0004","15.3688","0.0005","15.4343","0.0005","83.413","0.003","78.85","0.003","78.526","0.003","2600.66","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 N2 O2 P2 -","- C50 H74 N2 O2 P2 -","- C100 H148 N4 O4 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0548","0.0451","","","0.1199","0.1289","","","","","","1.027","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559115","11.128","0.0001","18.2363","0.0002","30.9376","0.0004","90","","90","","90","","6278.28","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H85 In N2 O5 P2 -","- C57 H85 In N2 O5 P2 -","- C228 H340 In4 N8 O20 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0281","0.0255","","","0.0615","0.0628","","","","","","1.031","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559116","20.6809","0.0002","18.5748","0.0002","15.7154","0.0002","90","","90","","90","","6036.97","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H87 In N2 O4 P2 -","- C65 H87 In N2 O4 P2 -","- C260 H348 In4 N8 O16 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0291","0.027","","","0.0692","0.0707","","","","","","1.067","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559117","10.9894","0.0002","28.7519","0.001","19.81","0.0004","90","","91.214","0.002","90","","6257.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 In N2 O3 P2 -","- C63 H102 In N2 O3 P2 -","- C252 H408 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0803","0.0584","","","0.1442","0.1581","","","","","","1.026","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559118","14.2993","0.0006","14.3196","0.0006","17.8201","0.0006","105.16","0.004","107.065","0.004","96.826","0.004","3290.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H77 In N2 O3 P2 -","- C52 H77 In N2 O3 P2 -","- C104 H154 In2 N4 O6 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0887","0.0671","","","0.1656","0.1842","","","","","","0.987","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559119","7.7242","0.0002","11.1154","0.0002","21.8365","0.0004","90","","90","","90","","1874.83","0.07","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Au F6 N2 P S2 -","- C15 H16 Au F6 N2 P S2 -","- C60 H64 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0123","0.0117","","","0.0246","0.0248","","","","","","0.89","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559120","24.858","0.005","7.8812","0.0016","21.855","0.004","90","","97.33","0.03","90","","4246.6","1.5","90","0.2","90","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Au F6 N2 O P S2 -","- C18 H18 Au F6 N2 O P S2 -","- C144 H144 Au8 F48 N16 O8 P8 S16 -","8","2","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0251","0.0153","","","0.0323","0.0343","","","","","","1.021","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559121","9.7833","0.0002","10.9241","0.0002","13.6127","0.0003","104.794","0.001","90.616","0.001","93.105","0.001","1404.09","0.05","90","0.2","90","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H30 Au F6 N3 O1.5 P S2 -","- C26 H30 Au F6 N3 O1.5 P S2 -","- C52 H60 Au2 F12 N6 O3 P2 S4 -","2","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0158","0.0147","","","0.0344","0.0349","","","","","","1.089","","","","has coordinates,has disorder","256553","2020-10-21","18:00:00",""
"1559122","14.475","0.0004","17.9946","0.0005","8.0979","0.0002","90","","90","","90","","2109.27","0.1","90","0.2","90","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H20 Au F6 N2 P S2 -","- C18 H20 Au F6 N2 P S2 -","- C72 H80 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0164","0.0144","","","0.0345","0.0354","","","","","","1.055","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559123","14.1989","0.0004","18.1306","0.0005","8.1046","0.0002","90","","90","","90","","2086.4","0.1","90","0.2","90","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H20 Au F6 N2 P S2 -","- C17 H20 Au F6 N2 P S2 -","- C68 H80 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.026","0.0238","","","0.0517","0.0522","","","","","","1.304","","","","has coordinates,has disorder","256553","2020-10-21","18:00:00",""
"1559124","16.7584","0.0015","13.6696","0.0014","16.0291","0.0017","90","","111.125","0.005","90","","3425.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","","- C40 H36 B2 N4 O5 -","- C40 H36 B2 N4 O5 -","- C160 H144 B8 N16 O20 -","4","1","HB4361","Mallard, Hannah H.; Kennedy, Nicholas D.; Rudman, Nathan A.; Greenwood, Alexa M.; Nicoleau, Jonathan; Angle, Corey E.; Torquato, Nicole A.; Gau, Micheal R.; Carroll, Patrick J.; Anstey, Mitchell R.","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","IUCrData","2020","5","9","x201248","","10.1107/S2414314620012481","","","0.71073","MoKα","","0.0599","0.0387","","","0.0839","0.0927","","","","","","1.021","","","","has coordinates,has Fobs","256562","2020-10-21","18:00:00",""
"1559125","6.5143","0.0007","26.599","0.003","7.9568","0.0008","90","","101.771","0.008","90","","1349.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N5 O4 P -","- C11 H18 N5 O4 P -","- C44 H72 N20 O16 P4 -","4","1","","Connor, Christina G.; DeForest, Jacob C.; Dietrich, Phil; Do, Nga M.; Doyle, Kevin M.; Eisenbeis, Shane; Greenberg, Elizabeth; Griffin, Sarah H.; Jones, Brian P.; Jones, Kris N.; Karmilowicz, Michael; Kumar, Rajesh; Lewis, Chad A.; McInturff, Emma L.; McWilliams, J. Christopher; Mehta, Ruchi; Nguyen, Bao D.; Rane, Anil M.; Samas, Brian; Sitter, Barbara J.; Ward, Howard W.; Webster, Mark E.","Development of a Nitrene-Type Rearrangement for the Commercial Route of the JAK1 Inhibitor Abrocitinib","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00366","","","1.54178","CuKα","","0.0791","0.0545","","","0.0835","0.0866","","","","","","1.721","","","","has coordinates","256565","2020-10-21","18:00:00",""
"1559129","10.618","0.003","12.162","0.004","13.204","0.004","94.952","0.005","110.78","0.004","115.495","0.004","1380","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","5-Methoxyaristololactam I","8,11-dimethoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one","","- C18 H13 N O5 -","- C18 H13 N O5 -","- C72 H52 N4 O20 -","4","2","","Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro","Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00574","","","0.71073","MoKa","","0.167","0.0761","","","0.168","0.2201","","","","","","0.962","","","","has coordinates","256582","2020-10-21","18:00:00",""
"1559130","5.0144","0.0004","11.1979","0.0009","18.4427","0.0014","90","","91.258","0.001","90","","1035.32","0.14","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","Asaroidoxazine A","(S)-2-((9,12-dimethoxy-5-oxo-5,8-dihydro-[1,3]dioxolo[4',5':3,4]phenanthro[10,1-cd][1,2]oxazin-8-yl)thio)acetamide","","- C21 H20 N2 O8 S -","- C21 H20 N2 O8 S -","- C42 H40 N4 O16 S2 -","2","1","","Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro","Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00574","","","0.71073","MoKa","","0.0372","0.0335","","","0.0962","0.1018","","","","","","0.787","","","","has coordinates","256583","2020-10-21","18:00:00",""
"1559131","8.6358","0.0013","9.3834","0.0015","9.8633","0.0015","74.596","0.006","86.938","0.009","68.597","0.009","716.6","0.2","170","2","170.02","","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","","Zhang, Jing-Fang; Zhong, Wan-Chao; Li, Yan-Cheng; Song, Yun-Qing; Xia, Gui-Yang; Tian, Gui-Hua; Ge, Guang-Bo; Lin, Sheng","Bioactivity-Guided Discovery of Human Carboxylesterase Inhibitors from the Roots of Paeonia lactiflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00464","","","1.34139","GaKα","","0.0724","0.0666","","","0.1808","0.1881","","","","","","1.053","","","","has coordinates","256584","2020-10-21","18:00:00",""
"1559132","71.953","0.014","17.886","0.005","37.342","0.008","90","","96.315","0.008","90","","47766","19","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93 H110 F12 N4 O28 Rh4 S8 -","- C86 H84 F4.5 N4 O13 Rh4 S5.5 -","- C1376 H1344 F72 N64 O208 Rh64 S88 -","16","2","","Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin","A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes","Chemical Science","2020","","","","","10.1039/D0SC04523C","","","1.34138","GaKα","","0.1527","0.0854","","","0.2573","0.3086","","","","","","1.061","","","","has coordinates","256606","2020-10-21","18:00:00",""
"1559133","67.429","0.005","23.8798","0.0016","29.2782","0.0019","90","","103.301","0.003","90","","45879","5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H107.5 F12 N12.5 O21.5 Rh4 S7 -","- C86 H84 F6 N5 O15 Rh4 S5 -","- C1376 H1344 F96 N80 O240 Rh64 S80 -","16","2","","Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin","A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes","Chemical Science","2020","","","","","10.1039/D0SC04523C","","","1.34138","GaKα","","0.1009","0.0907","","","0.2814","0.2944","","","","","","1.023","","","","has coordinates,has disorder","256606","2020-10-21","18:00:00",""
"1559134","22.383","0.004","24.161","0.004","24.592","0.004","92.104","0.007","98.905","0.007","102.575","0.007","12790","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C208 H264 F24 N26 O68 Rh8 S10 -","- C187 H195 F18 N19 O43 Rh8 S8 -","- C374 H390 F36 N38 O86 Rh16 S16 -","2","1","","Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin","A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes","Chemical Science","2020","","","","","10.1039/D0SC04523C","","","1.34138","GaKα","","0.1172","0.1005","","","0.2969","0.3201","","","","","","1.046","","","","has coordinates,has disorder","256606","2020-10-21","18:00:00",""
"1559135","8.38","0.012","5.067","0.007","19.58","0.03","90","","94.25","0.04","90","","829","2","301","2","301.57","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H30 O4 -","- C15 H30 O4 -","- C30 H60 O8 -","2","1","","Saha, Sanu; Paul, Debobrata; Goswami, Rajib Kumar","Cyclodepsipeptide Alveolaride C: Total Synthesis and Structural Assignment","Chemical Science","2020","","","","","10.1039/D0SC04478D","","","0.71073","MoKα","","0.3111","0.1285","","","0.2632","0.3464","","","","","","0.938","","","","has coordinates","256607","2020-10-21","18:00:00",""
"1559136","11.46796","0.00015","19.4563","0.0002","17.9268","0.0003","90","","106.331","0.0015","90","","3838.51","0.1","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 Cu F6 N6 O0.5 P -","- C39 H49 Cu F6 N6 O0.5 P -","- C156 H196 Cu4 F24 N24 O2 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","0.71073","MoKα","","0.038","0.0321","","","0.0867","0.0892","","","","","","1.06","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559137","12.1264","0.0007","18.4915","0.0015","19.9843","0.0014","90","","90","","90","","4481.2","0.5","95","2","95","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H58 Cl2 Cu F6 N6 P -","- C44 H58 Cl2 Cu F6 N6 P -","- C176 H232 Cl8 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","0.71073","MoKα","","0.033","0.0308","","","0.0739","0.0748","","","","","","1.049","","","","has coordinates","256608","2020-10-21","18:00:00",""
"1559138","19.42866","0.00014","20.15442","0.00013","30.18361","0.00019","90","","90","","90","","11819.1","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70.18 H76.7 B Cu N6 O -","- C70.175 H76.7 B Cu N6 O -","- C561.4 H613.6 B8 Cu8 N48 O8 -","8","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0398","0.0356","","","0.0948","0.0976","","","","","","1.041","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559139","19.77529","0.00005","13.53091","0.00004","15.04125","0.00005","90","","90","","90","","4024.7","0.02","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C45 H50 Cu F3 N6 O2 -","- C45 H50 Cu F3.003 N6 O2 -","- C180 H200 Cu4 F12.012 N24 O8 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0674","0.0677","","","","","","1.047","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559140","20.1211","0.0002","13.39232","0.00018","15.13962","0.00018","90","","90","","90","","4079.65","0.08","95","2","95","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C44 H50 Cu F3 N6 O3 S -","- C44 H50 Cu F3 N6 O3 S -","- C176 H200 Cu4 F12 N24 O12 S4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0382","0.0371","","","0.1018","0.1029","","","","","","1.039","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559141","9.5784","0.0005","11.1999","0.0006","15.6039","0.0008","102.532","0.002","90.622","0.002","97.933","0.002","1616.98","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H23 F9 N3 O9 P S3 -","- C24 H23 F9 N3 O9 P S3 -","- C48 H46 F18 N6 O18 P2 S6 -","2","1","","Bridges, Colin R.; Borys, Andryj M.; Béland, Vanessa A.; Gaffen, Joshua R.; Baumgartner, Thomas","Phosphoryl- and phosphonium-bridged viologens as stable two- and three-electron acceptors for organic electrodes","Chemical Science","2020","","","","","10.1039/D0SC04183A","","","0.71073","MoKα","","0.1394","0.0845","","","0.2022","0.2603","","","","","","1.037","","","","has coordinates","256609","2020-10-21","18:00:00",""
"1559142","18.077","0.0003","20.9593","0.0002","25.0897","0.0003","90","","106.497","0.002","90","","9114.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H140 Co Mo6 N7 O24 -","- C74 H140 Co Mo6 N7 O24 -","- C296 H560 Co4 Mo24 N28 O96 -","4","1","","Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie","COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis.","Nanoscale","2020","12","41","21218","21224","10.1039/d0nr05662f","","","0.71073","MoKα","","0.056","0.0384","","","0.0864","0.0947","","","","","","1.089","","","","has coordinates,has disorder","258883","2020-11-06","12:36:49",""
"1559143","15.4385","0.0005","24.0709","0.0008","25.3004","0.0008","90","","100.116","0.003","90","","9255.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6.3 Mn0.1 Mo0.6 N0.4 O2.4 -","- C4 H6.4 Mn0.1 Mo0.6 N0.4 O2.4 -","- C160 H256 Mn4 Mo24 N16 O96 -","40","10","","Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie","COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis.","Nanoscale","2020","12","41","21218","21224","10.1039/d0nr05662f","","","0.71073","MoKα","","0.0664","0.0484","","","0.1436","0.1509","","","","","","1.115","","","","has coordinates","258883","2020-11-06","12:36:49",""
"1559144","15.2358","0.0004","15.8461","0.0004","16.7025","0.0004","76.721","0.001","72.502","0.001","68.615","0.001","3548.2","0.16","90","2","90","2","","","","","","","","4","P -1","-P 1","2","C70.Cu(OEP).p-xylene","","","- C118 H59 Cu N4 -","- C118 H59 Cu N4 -","- C236 H118 Cu2 N8 -","2","1","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.0607","0.0433","","","0.1087","0.1182","","","","","","1.034","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559145","17.1062","0.001","25.99","0.0015","35.865","0.002","107.089","0.0011","90.3877","0.0011","108.007","0.001","14411","1.4","186","2","186","2","","","","","","","","4","P -1","-P 1","2","4C70.4NiOEP.6(p-xylene)","","","- C472 H236 N16 Ni4 -","- C472 H236 N16 Ni4 -","- C944 H472 N32 Ni8 -","2","1","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.1689","0.1186","","","0.3195","0.3438","","","","","","2.098","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559146","32.398","0.006","21.103","0.004","32.293","0.006","90","","90.006","0.003","90","","22079","7","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C70.toluene","","","- C77 H8 -","- C77 H8 -","- C1848 H192 -","24","6","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.1452","0.1167","","","0.2747","0.2956","","","","","","1.039","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559147","35.187","0.004","35.564","0.004","35.852","0.004","102.301","0.002","92.802","0.002","101.834","0.002","42702","8","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H59 N4 Ni -","- C118 H59 N4 Ni -","- C2832 H1416 N96 Ni24 -","24","12","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.2141","0.1084","","","0.2812","0.3642","","","","","","1.035","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559148","18.3055","0.0004","18.3055","0.0004","52.0549","0.0012","90","","90","","120","","15106.2","0.6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H10 Cu2 N4 O10 -","- C24 H10 Cu2 N4 O10 -","- C216 H90 Cu18 N36 O90 -","9","0.25","","Wen, Hui-Min; Shao, Kai; Zhou, Wei; Li, Bin; Chen, Banglin","A novel expanded metal-organic framework for balancing volumetric and gravimetric methane storage working capacities.","Chemical communications (Cambridge, England)","2020","56","86","13117","13120","10.1039/d0cc05504b","","","1.54184","CuKα","","0.0829","0.0743","","","0.2673","0.2797","","","","","","1.189","","","","has coordinates,has disorder","260608","2021-01-07","04:31:36",""
"1559149","8.296","0.0009","11.0174","0.0014","12.5614","0.0012","111.695","0.003","91.745","0.003","93.375","0.004","1063.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 N3 O3 Pd S -","- C24 H25 N3 O3 Pd S -","- C48 H50 N6 O6 Pd2 S2 -","2","1","","Wang, Xin; Li, Zi-Qi; Mai, Binh Khanh; Gurak, John A.; Xu, Jessica E.; Tran, Van T.; Ni, Hui-Qi; Liu, Zhen; Liu, Zhonglin; Yang, Kin; Xiang, Rong; Liu, Peng; Engle, Keary M.","Controlling Cyclization Pathways in Palladium(II)-Catalyzed Intramolecular Alkene Hydrofunctionalization via Substrate Directivity","Chemical Science","2020","","","","","10.1039/D0SC03409F","","x-ray","0.71073","MoKα","","0.0449","0.0374","","","0.0981","0.102","","","","","","1.081","","","","has coordinates","256636","2020-10-21","18:00:00",""
"1559150","14.2723","0.001","7.3843","0.0005","15.9189","0.0012","90","","90","","90","","1677.7","0.2","260","0.1","260","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pd -","- C12 H10 Fe N10 Pd -","- C48 H40 Fe4 N40 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.13","0.0902","","","0.2291","0.2483","","","","","","1.176","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559151","14.1549","0.0007","7.1808","0.0004","15.6363","0.0008","90","","90","","90","","1589.33","0.14","119.9","0.14","119.9","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pd -","- C12 H10 Fe N10 Pd -","- C48 H40 Fe4 N40 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.0959","0.0644","","","0.1465","0.1613","","","","","","1.117","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559152","21.078","0.003","7.0587","0.0009","14.488","0.003","90","","131.352","0.003","90","","1618.1","0.5","119.83","","119.83","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H11.6 Fe N10 O0.8 Pt -","- C12 H11.6 Fe N10 O0.8 Pt -","- C48 H46.4 Fe4 N40 O3.2 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.1431","0.0814","","","0.1954","0.2482","","","","","","1.11","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559153","21.092","0.003","7.0553","0.001","14.535","0.002","90","","131.372","0.004","90","","1623.2","0.4","120.02","","120.02","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Fe N10 O Pd -","- C12 H12 Fe N10 O Pd -","- C48 H48 Fe4 N40 O4 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.1047","0.0654","","","0.1332","0.1647","","","","","","1.045","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559154","21.77","0.003","7.3679","0.0008","14.951","0.003","90","","131.902","0.003","90","","1784.9","0.5","260","","260","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Fe N10 O Pd -","- C12 H12 Fe N10 O Pd -","- C48 H48 Fe4 N40 O4 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0787","0.0526","","","0.1292","0.1724","","","","","","1.107","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559155","21.836","0.002","7.3747","0.0006","14.8914","0.0012","90","","131.952","0.003","90","","1783.4","0.3","260.02","","260.02","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H11.6 Fe N10 O0.8 Pt -","- C12 H11.6 Fe N10 O0.8 Pt -","- C48 H46.4 Fe4 N40 O3.2 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.084","0.0544","","","0.1267","0.1471","","","","","","1.038","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559156","14.8631","0.0007","32.144","0.002","7.1639","0.0004","90","","90","","90","","3422.6","0.3","100","0.8","100","0.8","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pt -","- C12.5 H12 Fe N10 O0.25 Pt -","- C100 H96 Fe8 N80 O2 Pt8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1159","0.0979","","","0.1933","0.2026","","","","","","1.086","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559157","14.5857","0.0006","7.365","0.0004","15.9543","0.0008","90","","90","","90","","1713.87","0.14","260","2","259.97","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pt -","- C12 H10 Fe N10 Pt -","- C48 H40 Fe4 N40 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0854","0.052","","","0.1297","0.1557","","","","","","1.19","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559158","21.454","0.003","7.1986","0.0008","14.7221","0.0016","90","","131.494","0.003","90","","1703","0.4","180.01","","180.01","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Fe N10 O Pd -","- C12 H12 Fe N10 O Pd -","- C48 H48 Fe4 N40 O4 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0887","0.0564","","","0.1276","0.1593","","","","","","1.054","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559159","14.9105","0.0014","32.0213","0.0019","7.161","0.0004","90","","90","","90","","3419","0.4","100","0.14","100","0.14","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pd -","- C12.5 H12 Fe N10 O0.375 Pd -","- C100 H96 Fe8 N80 O3 Pd8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1465","0.1088","","","0.2488","0.2765","","","","","","1.043","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559160","14.8483","0.0015","7.1717","0.0007","15.88","0.003","90","","92.699","0.011","90","","1689.1","0.4","99.5","0.7","99.5","0.7","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12.8 H10 Fe N10 O0.4 Pt -","- C12.8 H10 Fe N10 O0.4 Pt -","- C51.2 H40 Fe4 N40 O1.6 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1277","0.1183","","","0.28","0.2875","","","","","","1.196","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559161","14.1282","0.0006","7.1968","0.0003","15.746","0.0007","90","","90","","90","","1601.02","0.12","120","1","120","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pt -","- C12 H10 Fe N10 Pt -","- C48 H40 Fe4 N40 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0708","0.047","","","0.1059","0.1169","","","","","","1.124","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559162","14.9798","0.0016","7.3662","0.0006","16.181","0.002","90","","91.922","0.009","90","","1784.5","0.3","260","0.1","260","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12.8 H10 Fe N10 O0.4 Pt -","- C12.8 H10 Fe N10 O0.4 Pt -","- C51.2 H40 Fe4 N40 O1.6 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.0793","0.0693","","","0.1773","0.187","","","","","","1.092","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559163","14.9943","0.0008","32.6263","0.0019","7.3615","0.0003","90","","90","","90","","3601.3","0.3","260","0.1","260","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H11.75 Fe N10 O0.5 Pt -","- C12.5 H11.75 Fe N10 O0.25 Pt -","- C100 H94 Fe8 N80 O2 Pt8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.125","0.0869","","","0.1624","0.1846","","","","","","1.058","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559164","21.488","0.003","7.1993","0.0008","14.6712","0.0016","90","","131.584","0.003","90","","1697.6","0.4","187","2","186.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H11.6 Fe N10 O0.8 Pt -","- C12 H11.6 Fe N10 O0.8 Pt -","- C48 H46.4 Fe4 N40 O3.2 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0935","0.0737","","","0.1674","0.1783","","","","","","1.142","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559165","15.0184","0.0012","32.5156","0.0018","7.3514","0.0004","90","","90","","90","","3589.9","0.4","260","0.2","260","0.2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pd -","- C12.5 H12 Fe N10 O0.25 Pd -","- C100 H96 Fe8 N80 O2 Pd8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1491","0.0816","","","0.2037","0.2498","","","","","","1.051","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559169","7.5919","0.0002","32.0914","0.0006","21.403","0.0005","90","","90","","90","","5214.5","0.2","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O2 Si -","- C26 H28 N2 O2 Si -","- C208 H224 N16 O16 Si8 -","8","2","","Numasawa, Koji; Hanaoka, Kenjiro; Ikeno, Takayuki; Echizen, Honami; Ishikawa, Tomoe; Morimoto, Masakazu; Komatsu, Toru; Ueno, Tasuku; Ikegaya, Yuji; Nagano, Tetsuo; Urano, Yasuteru","A cytosolically localized far-red to near-infrared rhodamine-based fluorescent probe for calcium ions.","The Analyst","2020","145","23","7736","7740","10.1039/d0an01739f","","","1.54178","","","0.0598","0.0591","","","0.1614","0.1621","","","","","","1.084","","","","has coordinates","259599","2020-12-06","13:06:44",""
"1559170","8.6514","0.0001","16.4017","0.0002","8.7158","0.0001","90","","115.259","0.002","90","","1118.5","0.03","173","0.1","173","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl5 N O2 Pd S -","- C17 H20 Cl5 N O2 Pd S -","- C34 H40 Cl10 N2 O4 Pd2 S2 -","2","1","","Wang, Yu-Jie; Yuan, Chen-Hui; Chu, De-Zhao; Jiao, Lei","Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step","Chemical Science","2020","","","","","10.1039/D0SC02246B","","x-ray","1.54184","CuKα","","0.0211","0.0211","","","0.0541","0.0541","","","","","","1.065","","","","has coordinates","256691","2020-10-21","18:00:00",""
"1559171","10.4499","0.0004","11.5254","0.0004","15.955","0.0005","92.906","0.003","104.074","0.003","111.149","0.003","1717.91","0.12","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37 Cl5 N P Pd -","- C36 H37 Cl5 N P Pd -","- C72 H74 Cl10 N2 P2 Pd2 -","2","1","","Wang, Yu-Jie; Yuan, Chen-Hui; Chu, De-Zhao; Jiao, Lei","Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step","Chemical Science","2020","","","","","10.1039/D0SC02246B","","x-ray","1.54184","CuKα","","0.0442","0.0376","","","0.1082","0.1136","","","","","","1.08","","","","has coordinates","256691","2020-10-21","18:00:00",""
"1559172","10.834","0.007","11.01","0.007","13.357","0.009","71.977","0.017","84.217","0.017","64.762","0.017","1369.6","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","2-NO2radical","2-NO2radical","","- C31 H38 N5 O4 -","- C31 H38 N5 O4 -","- C62 H76 N10 O8 -","2","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","0.71073","MoKα","","0.0929","0.0528","","","0.1223","0.1487","","","","","","1.022","","","","has coordinates","256692","2020-10-21","18:00:00",""
"1559173","20.1829","0.0005","10.7314","0.0003","25.5707","0.0007","90","","90","","90","","5538.4","0.3","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Hradical","2-Hradical","","- C30.95 H39.55 N4 O2.33 -","- C30.954 H39.5516 N4 O2.3333 -","- C247.632 H316.413 N32 O18.6664 -","8","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","1.34138","GaKα","","0.0906","0.0669","","","0.1402","0.1505","","","","","","1.095","","","","has coordinates,has disorder","256692","2020-10-21","18:00:00",""
"1559174","22.423","0.0007","11.1591","0.0004","26.6457","0.0011","90","","113.726","0.001","90","","6103.8","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-NO2cation","2-NO2cation","","- C31 H39 B F4 N5 O4 -","- C31 H38 B F4 N5 O4 -","- C248 H304 B8 F32 N40 O32 -","8","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","1.34138","GaKα","","0.0427","0.0405","","","0.1094","0.1114","","","","","","0.965","","","","has coordinates","256692","2020-10-21","18:00:00",""
"1559175","11.511","0.0003","12.4254","0.0003","13.1831","0.0003","85.106","0.0018","78.778","0.002","64.945","0.003","1675.47","0.08","100.01","0.1","100","","","","","","","","","7","P -1","-P 1","2","","2-Hcation","","- C32 H41 B Cl2 F4 N4 O2 -","- C32 H41 B Cl2 F4 N4 O2 -","- C64 H82 B2 Cl4 F8 N8 O4 -","2","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","0.71073","MoKα","","0.0507","0.0459","","","0.1033","0.106","","","","","","1.0699","","","","has coordinates,has disorder","256692","2020-10-21","18:00:00",""
"1559176","14.2611","0.0007","37.3119","0.0018","14.5988","0.0007","90","","115.426","0.001","90","","7015.7","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H55 B2 F8 N11 Rh2 -","- C68 H55 B2 F8 N11 Rh2 -","- C272 H220 B8 F32 N44 Rh8 -","4","1","","Huang, Jie; Gallucci, Judith C.; Turro, Claudia","Panchromatic dirhodium photocatalysts for dihydrogen generation with red light","Chemical Science","2020","11","36","9775","9783","10.1039/D0SC03114C","","x-ray","0.71073","MoKα","","0.0628","0.0564","","","0.1113","0.1135","","","","","","1.283","","","","has coordinates","256693","2020-10-21","18:00:00",""
"1559177","14.5487","0.0003","15.4322","0.0003","28.751","0.0006","90","","101.544","0.007","90","","6324.6","0.3","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 B Cl3 F3 N2 O3 S -","- C32 H31 B Cl3 F3 N2 O3 S -","- C256 H248 B8 Cl24 F24 N16 O24 S8 -","8","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0604","0.0457","","","0.1131","0.121","","","","","","1.018","","","","has coordinates","259623","2020-12-06","14:51:16",""
"1559178","9.9951","0.0002","10.6777","0.0003","14.0199","0.0003","68.127","0.005","85.063","0.006","88.677","0.006","1383.34","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 B F3 N2 O3 S -","- C31 H30 B F3 N2 O3 S -","- C62 H60 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0588","0.0469","","","0.1483","0.1561","","","","","","1.215","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559179","9.76723","0.00018","10.8636","0.0002","29.3189","0.0006","86.89","0.006","86.035","0.006","85.589","0.006","3090.56","0.11","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H27 B Cl3 F3 N2 O3 S3 -","- C28 H27 B Cl3 F3 N2 O3 S3 -","- C112 H108 B4 Cl12 F12 N8 O12 S12 -","4","2","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","1.54187","CuKα","","0.0802","0.0696","","","0.2128","0.2204","","","","","","1.113","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559180","30.1054","0.0006","10.64028","0.00019","10.64427","0.00019","90","","90","","90","","3409.68","0.11","173","","173","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H28 B Cl6 F3 N2 O5 S -","- C29 H28 B Cl6 F3 N2 O5 S -","- C116 H112 B4 Cl24 F12 N8 O20 S4 -","4","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","1.54187","CuKα","","0.0609","0.0589","","","0.1515","0.1548","","","","","","1.036","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559181","11.0952","0.0004","11.5436","0.0004","14.1018","0.0004","112.209","0.008","108.743","0.008","94.906","0.007","1538.71","0.18","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B F3 N2 O3 S -","- C35 H30 B F3 N2 O3 S -","- C70 H60 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0667","0.044","","","0.1299","0.1419","","","","","","0.999","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559186","6.7867","0.0011","14.848","0.002","13.118","0.002","90","","101.182","0.002","90","","1296.8","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C68 H48 F4 N4 O4 -","4","1","","Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng","A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets","The Analyst","2020","","","","","10.1039/D0AN01847C","","","0.71073","MoKα","","0.0684","0.0389","","","0.092","0.1067","","","","","","1.017","","","","has coordinates","256746","2020-10-21","18:00:00",""
"1559187","11.151","0.002","12.493","0.003","15.327","0.003","104.622","0.002","101.56","0.002","114.181","0.002","1769.6","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22.5 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","","Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng","A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets","The Analyst","2020","","","","","10.1039/D0AN01847C","","","0.71073","MoKα","","0.0732","0.0566","","","0.158","0.1757","","","","","","1.044","","","","has coordinates","256746","2020-10-21","18:00:00",""
"1559188","32.861","0.006","8.4446","0.0015","11.602","0.002","90","","90","","90","","3219.5","1","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","2","","Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng","A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets","The Analyst","2020","","","","","10.1039/D0AN01847C","","","0.71073","MoKα","","0.1269","0.0676","","","0.2023","0.2165","","","","","","1.259","","","","has coordinates","282214","2023-04-03","16:35:42",""
"1559189","15.89","0.008","15.89","0.008","14.121","0.006","90","","90","","90","","3565","3","170","2","170","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C17 H20 N4 O3 Pd -","- C17 H20 N4 O3 Pd -","- C136 H160 N32 O24 Pd8 -","8","1","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.025","0.0225","","","0.0498","0.051","","","","","","1.083","","","","has coordinates","256749","2020-10-21","18:00:00",""
"1559190","8.907","0.006","10.254","0.009","11.143","0.009","68.74","0.04","87.11","0.04","66.43","0.04","864","1.3","170","2","170","","","","","","","","","4","P -1","-P 1","2","SP34Cl","","","- C21 H19 Cl N4 -","- C21 H19 Cl N4 -","- C42 H38 Cl2 N8 -","2","1","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.0487","0.045","","","0.1142","0.1185","","","","","","1.07","","","","has coordinates","256749","2020-10-21","18:00:00",""
"1559191","20.0376","0.0007","20.0376","0.0007","23.8666","0.0007","90","","90","","90","","9582.6","0.6","170","2","170","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C60 H60 Cl4 N16 Pd4 -","- C60 H60 Cl4 N16 Pd4 -","- C240 H240 Cl16 N64 Pd16 -","4","0.25","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.0666","0.0463","","","0.1243","0.1468","","","","","","1.068","","","","has coordinates","256749","2020-10-21","18:00:00",""
"1559192","9.4235","0.0003","9.4517","0.0003","11.8728","0.0004","81.662","0.001","82.012","0.001","79.093","0.001","1020.62","0.06","170","2","170","","","","","","","","","4","P -1","-P 1","2","SP24OMe","","","- C23 H24 N4 O -","- C23 H24 N4 O -","- C46 H48 N8 O2 -","2","1","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.0448","0.0407","","","0.1064","0.1103","","","","","","1.029","","","","has coordinates,has disorder","256749","2020-10-21","18:00:00",""
"1559193","9.6922","0.0009","38.687","0.004","13.5664","0.0017","90","","104.749","0.009","90","","4919.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Ir N O2 P -","- C25 H41 Ir N O2 P -","- C200 H328 Ir8 N8 O16 P8 -","8","2","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0662","0.0511","","","0.1242","0.1318","","","","","","1.024","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559194","11.7045","0.0005","14.2405","0.0006","14.5938","0.0006","72.905","0.002","75.656","0.002","88.106","0.002","2250.44","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H66 Cl4 Ir2 N2 O4 P2 -","- C37 H66 Cl4 Ir2 N2 O4 P2 -","- C74 H132 Cl8 Ir4 N4 O8 P4 -","2","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.05","0.0451","","","0.1245","0.1282","","","","","","1.11","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559195","13.6475","0.0005","8.789","0.0003","19.5773","0.0007","90","","99.5079","0.0012","90","","2316","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl Ir N O4 P -","- C20 H36 Cl Ir N O4 P -","- C80 H144 Cl4 Ir4 N4 O16 P4 -","4","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0214","0.0214","","0.0557","0.0557","0.0557","","","","","","1.1849","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559196","21.5143","0.0008","11.8302","0.0004","26.8208","0.0011","90","","90","","90","","6826.4","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Cl Ir N O7 P -","- C32 H52 Cl Ir N O7 P -","- C256 H416 Cl8 Ir8 N8 O56 P8 -","8","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0243","0.0241","","","0.0542","0.0543","","","","","","1.246","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559197","20.5364","0.0007","25.2316","0.0006","7.01","0.0002","90","","115.214","0.004","90","","3286.3","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H27 Cl3 N2 O8 -","- C39 H27 Cl3 N2 O8 -","- C156 H108 Cl12 N8 O32 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0525","0.0514","","","0.1331","0.1342","","","","","","1.043","","","","has coordinates,has disorder","256767","2020-10-21","18:00:00",""
"1559198","22.7722","0.0009","21.0367","0.0012","6.7533","0.0003","90","","90","","90","","3235.2","0.3","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C20 H14 O5 -","- C20 H14 O5 -","- C160 H112 O40 -","8","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","","1.54184","CuKα","","0.0901","0.0609","","","0.1687","0.1896","","","","","","1.059","","","","has coordinates","256768","2020-10-21","18:00:00",""
"1559199","7.0562","0.0001","20.5785","0.0001","24.1665","0.0003","90","","90","","90","","3509.12","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O14 S2 -","- C40 H36 O14 S2 -","- C160 H144 O56 S8 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0438","0.0412","","","0.1048","0.1062","","","","","","1.079","","","","has coordinates,has disorder","256769","2020-10-21","18:00:00",""
"1559200","10.75529","0.00018","11.25315","0.00016","23.4783","0.0004","90","","96.5224","0.0015","90","","2823.21","0.08","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C152 H104 N8 O40 -","8","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0678","0.0507","","","0.1373","0.1494","","","","","","1.039","","","","has coordinates","256771","2020-10-21","18:00:00",""
"1559201","5.0126","0.0002","9.6467","0.0004","14.7488","0.0003","80.099","0.003","84.102","0.002","82.308","0.003","693.91","0.04","100","0.3","100","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0664","0.0595","","","0.1653","0.1711","","","","","","1.045","","","","has coordinates","256772","2020-10-21","18:00:00",""
"1559202","9.4014","0.0003","9.5711","0.0003","19.3229","0.0005","90","","102.198","0.003","90","","1699.45","0.09","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0551","0.0478","","","0.1342","0.14","","","","","","1.075","","","","has coordinates","256773","2020-10-21","18:00:00",""
"1559203","17.1407","0.0004","5.8301","0.0001","16.0134","0.0003","90","","113.648","0.003","90","","1465.87","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O6 -","- C19 H12 O6 -","- C76 H48 O24 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0526","0.0466","","","0.1328","0.1374","","","","","","1.11","","","","has coordinates","256774","2020-10-21","18:00:00",""
"1559204","6.3952","0.0003","9.0538","0.0004","10.7157","0.0005","90","","100.069","0.003","90","","610.89","0.05","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C28 H22 N2 O12 -","2","1","","Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua","Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00523","","","1.54178","CuKα","","0.0308","0.03","","","0.0831","0.0839","","","","","","1.061","","","","has coordinates","256775","2020-10-21","18:00:00",""
"1559205","6.8769","0.0002","11.506","0.0004","18.7242","0.0007","90","","90","","90","","1481.56","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua","Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00523","","","1.54178","CuKα","","0.0247","0.0245","","","0.0667","0.0671","","","","","","1.02","","","","has coordinates","256776","2020-10-21","18:00:00",""
"1559206","4.7121","0.0001","9.8742","0.0002","17.9278","0.0003","90","","90","","90","","834.15","0.03","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 F3 O -","- C9 H9 F3 O -","- C36 H36 F12 O4 -","4","1","","Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Rabten, Wangchuk; Andersson, Pher G.","Asymmetric synthesis of 1,2-fluorohydrin: iridium catalyzed hydrogenation of fluorinated allylic alcohol","Chemical Science","2020","","","","","10.1039/D0SC04032K","","x-ray","0.71073","MoKα","","0.0247","0.0244","","","0.067","0.0674","","","","","","1.068","","","","has coordinates,has disorder","256782","2020-10-21","18:00:00",""
"1559207","11.2778","0.0004","22.0014","0.0007","17.4636","0.0005","90","","99.651","0.002","90","","4271.9","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Br2 N2 Ni -","- C46 H40 Br2 N2 Ni -","- C184 H160 Br8 N8 Ni4 -","4","1","","Wang, Xiaohua; Dong, Bo; Yang, Qi; Liu, Heng; Zhang, Chunyu; Zhang, Xuequan","α-Diimine nickel complexes bearing axially bulky terphenyl and equatorially bulky dibenzobarrelene groups: synthesis, characterization and olefin polymerization studies","Polymer Chemistry","2020","11","42","6783","6793","10.1039/D0PY01152E","","","1.54178","CuKα","","0.0674","0.0559","","","0.1924","0.207","","","","","","0.909","","","","has coordinates","258990","2020-11-06","13:21:44",""
"1559208","14.785","0.002","18.646","0.003","17.519","0.002","90","","107.516","0.003","90","","4605.7","1.1","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 Br2 F12 N2 Ni -","- C44 H24 Br2 F12 N2 Ni -","- C176 H96 Br8 F48 N8 Ni4 -","4","1","","Wang, Xiaohua; Dong, Bo; Yang, Qi; Liu, Heng; Zhang, Chunyu; Zhang, Xuequan","α-Diimine nickel complexes bearing axially bulky terphenyl and equatorially bulky dibenzobarrelene groups: synthesis, characterization and olefin polymerization studies","Polymer Chemistry","2020","11","42","6783","6793","10.1039/D0PY01152E","","","0.71073","MoKα","","0.1138","0.0729","","","0.1956","0.2168","","","","","","1.027","","","","has coordinates","258990","2020-11-06","13:21:45",""
"1559209","9.8291","0.0008","10.0499","0.0008","11.0308","0.0009","98.825","0.007","90.9","0.007","117.747","0.006","948.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","1","0.5","IM4010","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; Al-Douh, Mohammed Hadi; Glidewell, Christopher","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2020","5","9","x201278","","10.1107/S241431462001278X","","","0.71073","MoKα","","0.0994","0.0673","","","0.1495","0.1641","","","","","","0.961","","","","has coordinates,has Fobs","256799","2020-10-21","18:00:00",""
"1559210","8.2694","0.0003","21.1783","0.0008","10.705","0.0004","90","","111.117","0.001","90","","1748.89","0.11","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","PK4031","Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R.","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","IUCrData","2020","5","9","x201276","","10.1107/S2414314620012766","","","0.71073","MoKα","","0.0482","0.0365","","","0.0838","0.0897","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","256800","2020-10-21","18:00:00",""
"1559211","20.6543","0.0003","8.365","0.0001","17.5215","0.0003","90","","97.371","0.002","90","","3002.23","0.08","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","","- C26 H48 N4 Si3 -","- C26 H48 N4 Si3 -","- C104 H192 N16 Si12 -","4","1","IS4044","Mizuhata, Yoshiyuki; Iwai, Kento; Tokitoh, Norihiro","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","IUCrData","2020","5","9","x201299","","10.1107/S2414314620012997","","","0.71073","MoKα","","0.0397","0.0325","","","0.0817","0.0863","","","","","","1.038","","","","has coordinates,has Fobs","256801","2020-10-21","18:00:00",""
"1559212","46.281","0.013","10.16","0.003","31.262","0.008","90","","128.04","0.03","90","","11577","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C233 H374 Cl10 N8 O18 -","- C233 H374 Cl10 N8 O18 -","- C466 H748 Cl20 N16 O36 -","2","0.25","","Trybuła, Danuta; Marszałek-Harych, Aleksandra; Gazińska, Małgorzata; Berski, Sławomir; Jędrzkiewicz, Dawid; Ejfler, Jolanta","N-Activated 1,3-Benzoxazine Monomer as a Key Agent in Polybenzoxazine Synthesis","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02036","","","0.71073","MoKα","","0.2082","0.0902","","","0.1085","0.1439","","","","","","0.995","","","","has coordinates,has disorder","256810","2020-10-21","18:00:00",""
"1559213","5.923","0.002","14.601","0.005","15.874","0.006","97.16","0.03","95.32","0.03","99.12","0.03","1336","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 Cl2 N2 O3 -","- C58 H90 Cl2 N2 O3 -","- C58 H90 Cl2 N2 O3 -","1","0.5","","Trybuła, Danuta; Marszałek-Harych, Aleksandra; Gazińska, Małgorzata; Berski, Sławomir; Jędrzkiewicz, Dawid; Ejfler, Jolanta","N-Activated 1,3-Benzoxazine Monomer as a Key Agent in Polybenzoxazine Synthesis","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02036","","","0.71073","MoKα","","0.2463","0.0956","","","0.162","0.2373","","","","","","0.962","","","","has coordinates,has disorder","256810","2020-10-21","18:00:00",""
"1559214","8.9486","0.0005","9.5948","0.0004","12.8823","0.0006","82.687","0.004","71.563","0.004","87.665","0.004","1040.77","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Cl2 N O3 -","- C21 H23 Cl2 N O3 -","- C42 H46 Cl4 N2 O6 -","2","1","","Song, Liangliang; Zhang, Xiaoyong; Tang, Xiao; Van Meervelt, Luc; Van der Eycken, Johan; Harvey, Jeremy; Van der Eycken, Erik V.","Ruthenium-catalyzed cascade C-H activation/annulation of N-alkoxybenzamides: reaction development and mechanistic insight","Chemical Science","2020","","","","","10.1039/D0SC04434B","","x-ray","0.71073","MoKα","","0.0866","0.065","","","0.1713","0.1897","","","","","","1.049","","","","has coordinates","256813","2020-10-21","18:00:00",""
"1559215","8.0221","0.0002","11.806","0.0003","13.2172","0.0003","90","","102.032","0.002","90","","1224.29","0.05","179.97","0.18","179.97","0.18","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Zhang, Zhenxing; Zhang, Lei; Zhang, Xianhao; Yang, Jianxin; Yin, Yunxing; Jiang, Yangye; Zeng, Cheng-Chu; Lu, Gang; Yang, Yang; Mo, Fanyang","Anodic Oxidation Triggered Divergent 1,2- and 1,4-Group Transfer Reactions of β-Hydroxycarboxylic Acids Enabled by Electrochemical Regulation","Chemical Science","2020","","","","","10.1039/D0SC02386H","","x-ray","0.71073","MoKα","","0.0403","0.0374","","","0.1015","0.1033","","","","","","1.04","","","","has coordinates","256814","2020-10-21","18:00:00",""
"1559216","10.5509","0.0013","15.2802","0.0019","16.524","0.002","90","","90","","90","","2664","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 N2 O5 -","- C31 H30 N2 O5 -","- C124 H120 N8 O20 -","4","1","","Zhong, Ziwei; Xiao, Zhijie; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming","Catalytic asymmetric synthesis of 3,2'-pyrrolinyl spirooxindoles via conjugate addition/Schmidt-type rearrangement of vinyl azides and (E)-alkenyloxindoles","Chemical Science","2020","","","","","10.1039/D0SC03776A","","","1.54178","CuKα","","0.0336","0.0332","","","0.088","0.0887","","","","","","1.066","","","","has coordinates","256815","2020-10-21","18:00:00",""
"1559217","8.7795","0.0012","8.7795","0.0012","8.1964","0.0016","90","","90","","120","","547.13","0.15","153","2","153.15","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C I3 Pb -","- C I3 Pb -","- C2 I6 Pb2 -","2","0.166667","","Yang, Ning; Zhu, Cheng; Chen, Yihua; Zai, Huachao; Wang, Chenyue; Wang, Xi; Wang, Hao; Ma, Sai; Gao, Ziyan; Wang, Xueyun; Hong, Jiawang; Bai, Yang; Zhou, Huanping; Cui, Bin-Bin; Chen, Qi","An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation","Energy & Environmental Science","2020","13","11","4344","4352","10.1039/D0EE01736A","","","0.71073","MoKα","","0.0974","0.0954","","","0.2868","0.2902","","","","","","1.251","","","","has coordinates","259603","2020-12-06","14:25:06",""
"1559218","27.0597","0.0016","27.0597","0.0016","8.5587","0.0006","90","","90","","120","","5427.3","0.6","293","2","293","2","","","","","","","","5","P 3","P 3","143","kaliophilite","","","- Al27 K24.67 Na2.33 O108 Si27 -","- Al27 K24.6685 Na2.3315 O108 Si27 -","- Al54 K49.337 Na4.663 O216 Si54 -","2","0.666667","","Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel","The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem","IUCrJ","2020","7","6","","","10.1107/S2052252520012270","","","0.71073","MoKα","","0.0898","0.0768","","","0.1733","0.1822","","","","","","1.021","","","","has coordinates","256824","2020-10-21","18:00:00",""
"1559228","7.577","0.0006","7.6838","0.0006","10.2038","0.0008","101.843","0.006","90.893","0.006","104.642","0.006","561.11","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","","- C11 H17 Br O2 -","- C11 H17 Br O2 -","- C22 H34 Br2 O4 -","2","1","BT4098","Schollmeyer, Dieter; Heidrich, Maximilian; Detert, Heiner","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","IUCrData","2020","5","9","","","10.1107/S2414314620013024","","","0.71073","MoKα","","0.0371","0.0337","","","0.0851","0.0871","","","","","","1.147","","","","has coordinates,has Fobs","256882","2020-10-21","18:00:00",""
"1559229","7.655","0.0014","15.329","0.003","18.486","0.004","90","","92.088","0.007","90","","2167.8","0.7","98","","98","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C72 H52 Cl8 F12 N16 O12 S4 Zn4 -","4","1","VM4046","Adrian, Rafael A.; Arman, Hadi D.","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","IUCrData","2020","5","9","","","10.1107/S2414314620012924","","","0.71075","MoKα","","0.0298","0.027","","","0.0736","0.0751","","","","","","1.053","","","","has coordinates,has Fobs","256883","2020-10-21","18:00:00",""
"1559234","12.0519","0.0003","15.622","0.0004","32.384","0.0009","90","","90","","90","","6097.1","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 B N4 O4 S -","- C26 H29 B N4 O4 S -","- C208 H232 B8 N32 O32 S8 -","8","2","","Palvai, Sandeep; Bhangu, Jasmine; Akgun, Burcin; Moody, Christopher T.; Hall, Dennis G.; Brudno, Yevgeny","<i>In Vivo</i> Targeting Using Arylboronate/Nopoldiol Click Conjugation.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00453","","","1.54178","CuKα","","0.0399","0.0343","","","0.0852","0.0878","","","","","","1.015","","","","has coordinates","256894","2020-10-21","18:00:00",""
"1559235","11.40835","0.00019","13.7459","0.0003","7.12221","0.00012","90","","98.8139","0.0015","90","","1103.7","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Al Cl S -","- C9 H12 Al Cl S -","- C36 H48 Al4 Cl4 S4 -","4","1","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","x-ray","1.54184","CuKα","","0.0592","0.0557","","","0.1533","0.1581","","","","","","1.135","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559236","10.7446","0.0002","13.1338","0.0003","7.1627","0.0002","90","","96.576","0.001","90","","1004.13","0.04","173","","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Al S -","- C9 H13 Al S -","- C36 H52 Al4 S4 -","4","1","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","","1.54178","CuKα","","0.031","0.0292","","","0.0763","0.0779","","","","","","1.073","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559237","9.3362","0.0006","7.5154","0.0006","13.7022","0.0008","90","","105.557","0.005","90","","926.2","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 Al2 S2 -","- C14 H30 Al2 S2 -","- C28 H60 Al4 S4 -","2","0.5","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","","1.54178","CuKα","","0.0601","0.0456","","","0.1168","0.1248","","","","","","1.029","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559238","8.7495","0.0005","9.7201","0.0005","9.7633","0.0007","93.858","0.005","114.425","0.007","109.404","0.005","692.53","0.09","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br2 F -","- C15 H11 Br2 F -","- C30 H22 Br4 F2 -","2","1","","Liu, Zhong; Tu, Xian-Shuang; Guo, Le-Tao; Wang, Xiao-Chen","Aluminum‒Catalyzed Tunable Halodefluorination of Trifluoromethyl- and Difluoroalkyl-Substituted Olefins","Chemical Science","2020","","","","","10.1039/D0SC03883K","","x-ray","0.71073","MoKα","","0.049","0.0287","","","0.068","0.0741","","","","","","1.017","","","","has coordinates","256905","2020-10-21","18:00:00",""
"1559239","13.0257","0.0007","13.3355","0.0007","18.0392","0.0009","105.723","0.005","108.005","0.005","100.048","0.004","2752","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H11 Cl3 -","- C15 H11 Cl3 -","- C120 H88 Cl24 -","8","4","","Liu, Zhong; Tu, Xian-Shuang; Guo, Le-Tao; Wang, Xiao-Chen","Aluminum–Catalyzed Tunable Halodefluorination of Trifluoromethyl- and Difluoroalkyl-Substituted Olefins","Chemical Science","2020","","","","","10.1039/D0SC03883K","","","0.71073","MoKα","","0.1175","0.0986","","","0.2926","0.3124","","","","","","1.081","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559240","9.1926","0.0006","18.6959","0.0012","18.8899","0.0012","93.315","0.002","103.878","0.0019","98.222","0.002","3105","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Co O4 P -","- C18 H32 Co O4 P -","- C108 H192 Co6 O24 P6 -","6","3","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0437","0.0352","","","0.0867","0.0936","","","","","","1.016","","","","has coordinates,has disorder","260596","2021-01-07","04:17:32",""
"1559241","8.808","0.0009","11.2727","0.0011","11.4608","0.0011","87.2767","0.0016","86.0751","0.0016","81.5105","0.0016","1122.03","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 Co F18 O4 P -","- C15 H8 Co F18 O4 P -","- C30 H16 Co2 F36 O8 P2 -","2","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.029","0.0273","","","0.0675","0.0691","","","","","","1.043","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559242","9.342","0.0004","12.6826","0.0006","22.4709","0.001","90","","93.041","0.0014","90","","2658.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co O6 P -","- C27 H40 Co O6 P -","- C108 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0335","0.0304","","","0.075","0.0766","","","","","","1.092","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559243","10.925","0.0002","12.6105","0.0002","20.1341","0.0003","90","","104.561","0.0005","90","","2684.77","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Co O6 P -","- C24 H40 Co O6 P -","- C96 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0296","0.0258","","","0.0678","0.0705","","","","","","1.023","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559244","17.748","0.002","8.4442","0.0011","16.239","0.002","90","","91.117","0.002","90","","2433.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Co N2 O6 P -","- C21 H34 Co N2 O6 P -","- C84 H136 Co4 N8 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0347","0.0275","","","0.0699","0.0737","","","","","","1.028","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559245","10.7864","0.0006","11.5313","0.0007","22.3359","0.0013","90","","90","","90","","2778.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Co N O5 P -","- C33 H29 Co N O5 P -","- C132 H116 Co4 N4 O20 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0268","0.0247","","","0.0599","0.0612","","","","","","1.052","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559246","9.7348","0.0005","13.5132","0.0007","14.3175","0.0009","67.708","0.006","77.216","0.005","89.13","0.004","1694.54","0.18","297.91","0.1","297.91","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 F6 N4 O6 S2 -","- C26 H44 F6 N4 O6 S2 -","- C52 H88 F12 N8 O12 S4 -","2","1","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.1557","0.0834","","","0.2056","0.2327","","","","","","1.04","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559247","8.4471","0.0005","8.8406","0.0006","10.0062","0.0007","96.01","0.006","105.1","0.006","104.691","0.005","686.09","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H42 N4 -","- C28 H42 N4 -","- C28 H42 N4 -","1","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0917","0.0723","","","0.2174","0.2363","","","","","","1.072","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559248","10.8244","0.0013","9.4809","0.0018","11.803","0.0014","90","","92.827","0.011","90","","1209.8","0.3","240.01","0.1","240.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 N4 -","- C24 H44 N4 -","- C48 H88 N8 -","2","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.1376","0.1025","","","0.2537","0.2803","","","","","","1.002","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559249","13.8834","0.0007","9.6798","0.0005","29.2643","0.0014","90","","100.514","0.005","90","","3866.8","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 F6 N4 O6 S2 -","- C32 H48 F6 N4 O6 S2 -","- C128 H192 F24 N16 O24 S8 -","4","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0834","0.0656","","","0.1952","0.2073","","","","","","1.08","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559250","6.6157","0.0005","22.4602","0.0017","10.2356","0.0008","90","","93.229","0.007","90","","1518.5","0.2","197.19","0.1","197.19","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N4 -","- C34 H46 N4 -","- C68 H92 N8 -","2","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.084","0.0601","","","0.1645","0.1934","","","","","","1.193","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559251","8.2696","0.0004","12.384","0.0007","27.8702","0.0013","90","","90","0.004","90","","2854.2","0.3","299.83","0.1","299.83","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 -","- C30 H48 N4 -","- C120 H192 N16 -","4","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0797","0.0558","","","0.1408","0.1535","","","","","","1.026","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559252","8.2064","0.0003","8.6379","0.0003","18.5201","0.0007","86.324","0.003","89.745","0.003","69.232","0.003","1224.75","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 F6 N4 O6 S2 -","- C38 H52 F6 N4 O6 S2 -","- C38 H52 F6 N4 O6 S2 -","1","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0834","0.0644","","","0.1887","0.2047","","","","","","1.08","","","","has coordinates,has disorder","256967","2020-10-21","18:00:00",""
"1559253","15.117","0.0008","9.2664","0.0005","11.9686","0.0007","90","","108.222","0.006","90","","1592.49","0.16","240","0.1","240","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 N4 -","- C36 H52 N4 -","- C72 H104 N8 -","2","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0837","0.0564","","","0.1513","0.1625","","","","","","1.062","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559254","7.8003","0.0003","10.8755","0.0004","15.0688","0.0005","70.989","0.001","88.162","0.001","70.886","0.001","1137.98","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu N8 O8 -","- C16 H18 Cu N8 O8 -","- C32 H36 Cu2 N16 O16 -","2","1","","Chevalier, Aline; Osypenko, Artem; Lehn, Jean-Marie; Meyer, Daniel","Phase transfer of metal cations by induced dynamic carrier agents: biphasic extraction based on dynamic covalent chemistry","Chemical Science","2020","","","","","10.1039/D0SC04098C","","","0.71073","MoKα","","0.0584","0.0455","","","0.115","0.1216","","","","","","1.057","","","","has coordinates","256968","2020-10-21","18:00:00",""
"1559255","8.415","0.0003","13.2916","0.0005","16.6694","0.0005","90","","100.322","0.001","90","","1834.28","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cu N7 O5 -","- C16 H17 Cu N7 O5 -","- C64 H68 Cu4 N28 O20 -","4","1","","Chevalier, Aline; Osypenko, Artem; Lehn, Jean-Marie; Meyer, Daniel","Phase transfer of metal cations by induced dynamic carrier agents: biphasic extraction based on dynamic covalent chemistry","Chemical Science","2020","","","","","10.1039/D0SC04098C","","","0.71073","MoKα","","0.0413","0.0294","","","0.0665","0.0725","","","","","","1.034","","","","has coordinates","256968","2020-10-21","18:00:00",""
"1559256","9.369","0.0004","8.7013","0.0005","12.1951","0.0006","90","","112.512","0.003","90","","918.42","0.08","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H16 Cl Cu2 N6 O2 -","- C16 H16 Cl Cu2 N6 O2 -","- C32 H32 Cl2 Cu4 N12 O4 -","2","0.5","","Chevalier, Aline; Osypenko, Artem; Lehn, Jean-Marie; Meyer, Daniel","Phase transfer of metal cations by induced dynamic carrier agents: biphasic extraction based on dynamic covalent chemistry","Chemical Science","2020","","","","","10.1039/D0SC04098C","","","1.54178","CuKα","","0.0795","0.0526","","","0.1344","0.1498","","","","","","1.038","","","","has coordinates","256968","2020-10-21","18:00:00",""
"1559261","14.6657","0.0004","9.2134","0.0003","27.2283","0.0019","90","","105.599","0.007","90","","3543.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C152 H176 O56 -","8","4","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.1015","0.0561","","","0.1321","0.1618","","","","","","0.948","","","","has coordinates","258715","2020-11-04","01:28:14",""
"1559262","8.0071","0.0003","10.1293","0.0004","20.8919","0.0009","84.188","0.004","80.126","0.004","89.579","0.003","1660.7","0.12","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C66 H100 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0997","0.0616","","","0.1437","0.1601","","","","","","1.012","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559263","6.9816","0.0002","7.0672","0.0016","7.8911","0.0018","81.9415","0.0019","73.77","0.002","62.844","0.003","332.59","0.11","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C15 H18 O6 -","1","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0341","0.0325","","","0.0862","0.087","","","","","","1.063","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559264","8.1822","0.0003","11.6976","0.0004","20.5756","0.0014","90","","90","","90","","1969.33","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0443","0.0357","","","0.0844","0.0929","","","","","","1.121","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559265","7.9046","0.0003","10.2052","0.0004","17.7713","0.0013","96.518","0.007","91.665","0.007","90.773","0.006","1423.5","0.13","203","2","203","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0599","0.0505","","","0.1246","0.1519","","","","","","1.108","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559266","6.9381","0.0001","12.35","0.0003","23.4283","0.0016","90","","90","","90","","2007.47","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0398","0.0324","","","0.0787","0.0878","","","","","","1.097","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559267","9.6322","0.0003","10.6501","0.0004","14.5182","0.001","90","","100.881","0.007","90","","1462.56","0.13","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O10 -","- C30 H46 O10 -","- C60 H92 O20 -","2","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.151","0.0871","","","0.1969","0.2646","","","","","","1.107","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559268","9.987","0.006","15.646","0.01","18.337","0.011","90","","98.457","0.007","90","","2834","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 B Ir O2 P2 -","- C28 H40 B Ir O2 P2 -","- C112 H160 B4 Ir4 O8 P8 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0379","0.0325","","","0.0896","0.0952","","","","","","0.966","","","","has coordinates","257194","2020-10-21","18:00:00",""
"1559269","16.077","0.01","18.242","0.011","18.253","0.011","90","","90","","90","","5353","6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 B Ir P2 -","- C28 H44 B Ir P2 -","- C224 H352 B8 Ir8 P16 -","8","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0345","0.0218","","","0.0449","0.0486","","","","","","1.011","","","","has coordinates","257194","2020-10-21","18:00:00",""
"1559270","18.4602","0.0007","18.1913","0.0008","16.0356","0.0006","90","","90","","90","","5385","0.4","110","","110","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H77.78 B2 Ir2 O2 P4 -","- C54 H77.775 B2 Ir2 O2 P4 -","- C216 H311.1 B8 Ir8 O8 P16 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0388","0.0339","","","0.0651","0.067","","","","","","1.106","","","","has coordinates,has disorder","257194","2020-10-21","18:00:00",""
"1559272","9.47","0.003","15.53","0.004","7.34","0.002","90","","92.147","0.009","90","","1078.7","0.5","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Br4 -","- C10 H4 Br4 -","- C40 H16 Br16 -","4","1","","HOSSAIN, Md Awlad; HIRABAYASHI, Kazunori; NISHINAGA, Tohru; SHIMIZU, Toshio; SUGIURA, Ken-ichi","Crystal Structure Refinement of 1,4,5,8-Tetrabromonaphthalene: A Twisted Chiral Naphthalene Induced by Steric Repulsion","X-ray Structure Analysis Online","2020","36","0","35","37","10.2116/xraystruct.36.35","","","0.71075","MoKα","","0.0332","0.0249","","","0.0555","0.0572","","","","","","0.715","","","","has coordinates","258160","2020-10-21","18:00:00",""
"1559273","10.2053","0.0018","33.277","0.006","8.8733","0.0015","90","","113.904","0.003","90","","2754.9","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N7 O4 Ru -","- C30 H34 N7 O4 Ru -","- C120 H136 N28 O16 Ru4 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Tris[2-(2-imidazolinyl)phenolato]ruthenium(III)","X-ray Structure Analysis Online","2020","36","0","33","34","10.2116/xraystruct.36.33","","","0.71073","MoKα","","0.1168","0.0711","","","0.135","0.1487","","","","","","1.027","","","","has coordinates","258161","2020-10-21","18:00:00",""
"1559274","26.8903","0.0012","26.8903","0.0012","26.8903","0.0012","90","","90","","90","","19444.1","1.5","100","2","99.99","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-Me~2~","","","- C96 O40 Zr6 -","- C96 O40 Zr6 -","- C384 O160 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Lillerud, Karl","Twinning in Zr-Based Metal-Organic Framework Crystals","Chemistry","2020","2","3","777","786","10.3390/chemistry2030050","","x-ray","0.71073","MoKα","","0.0531","0.0479","","","0.1686","0.1743","","","","","","1.127","","","","has coordinates","258172","2020-10-21","18:00:00",""
"1559275","19.6105","0.0006","15.8275","0.0005","20.3903","0.0006","90","","90","","90","","6328.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N9 O6 -","- C29 H31 Co N9 O6 -","- C232 H248 Co8 N72 O48 -","8","1","","Mondal, Amit Kumar; Mondal, Arpan; Konar, Sanjit","Slow Magnetic Relaxation in a One-Dimensional Coordination Polymer Constructed from Hepta-Coordinate Cobalt(II) Nodes","Magnetochemistry","2020","6","4","45","","10.3390/magnetochemistry6040045","","","0.71073","MoKα","","0.0812","0.0607","","","0.1813","0.197","","","","","","1.095","","","","has coordinates","258173","2020-10-21","18:00:00",""
"1559276","7.8666","0.0009","10.2719","0.0013","11.8789","0.0015","87.557","0.009","77.371","0.008","73.908","0.007","899.8","0.2","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H13 Cl -","- C10 H13 Cl -","- C40 H52 Cl4 -","4","2","","Aitken, R. Alan; Slawin, Alexandra M. Z.","2,4,6-Trimethylbenzyl Chloride (α2-Chloroisodurene)","Molbank","2020","2020","3","M1156","","10.3390/M1156","","","0.71075","MoKα","","0.0304","0.029","","","0.089","0.0901","","","","","","1.063","","","","has coordinates","258174","2020-10-21","18:00:00",""
"1559277","49.281","0.02","8.517","0.003","11.787","0.004","90","","100.41","0.005","90","","4866","3","566","2","566.3","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N O2 -","- C28 H34 N O2 -","- C224 H272 N8 O16 -","8","1","","Ren, Shuyue; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Song, Junke; Yu, Haoying; Wang, Jingrong; Lv, Tingting; Sun, Lan; Lu, Yang; Du, Guanhua","A Novel Co-Crystal of Bexarotene and Ligustrazine Improves Pharmacokinetics and Tissue Distribution of Bexarotene in SD Rats.","Pharmaceutics","2020","12","10","906","","10.3390/pharmaceutics12100906","","","1.54178","CuKα","","0.0804","0.0621","","","0.1693","0.1887","","","","","","0.961","","","","has coordinates","258175","2020-10-21","18:00:00",""
"1559278","13.583","0.0005","15.4136","0.0005","19.6284","0.0014","90","","90","","90","","4109.5","0.4","235","","235.15","","","","","","","","Isaria farinosa","4","P 21 21 21","P 2ac 2ab","19","Paecilosetin C","Compound 5","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","2","","Brel, Orianne; Touré, Seindé; Levasseur, Marceau; Lechat, Christian; Pellissier, Léonie; Wolfender, Jean-Luc; Van-Elslande, Elsa; Litaudon, Marc; Dusfour, Isabelle; Stien, Didier; Eparvier, Véronique","Paecilosetin Derivatives as Potent Antimicrobial Agents from <i>Isaria farinosa</i>.","Journal of natural products","2020","83","10","2915","2922","10.1021/acs.jnatprod.0c00444","","x-ray","1.54187","CuKα","","0.1401","0.048","","","0.076","0.1131","","","","","","1.044","","","","has coordinates","258714","2020-11-04","01:27:57",""
"1559279","35.7359","0.0009","12.1275","0.0002","27.9938","0.0007","90","","112.354","0.002","90","","11220.4","0.5","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C464 H424 Cl24 Cu8 F48 N16 O40 P24 -","8","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","","0.71073","MoKα","","0.0607","0.0432","","","0.1157","0.1218","","","","","","0.938","","","","has coordinates,has disorder","259600","2020-12-06","13:07:17",""
"1559280","11.4434","0.0001","20.2661","0.0002","27.9804","0.0004","90","","99.805","0.001","90","","6394.24","0.13","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H40 Cu F18 N2 O P3 -","- C57 H40 Cu F18 N2 O P3 -","- C228 H160 Cu4 F72 N8 O4 P12 -","4","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","x-ray","1.54184","CuKα","","0.0798","0.0786","","","0.1611","0.1615","","","","","","1.173","","","","has coordinates","259600","2020-12-06","13:07:18",""
"1559281","20.0292","0.0016","18.4196","0.0014","22.4625","0.0016","90","","90","","90","","8287.1","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H48 F5 N5 Ni -","- C47 H48 F5 N5 Ni -","- C376 H384 F40 N40 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0968","0.05","","","0.124","0.1541","","","","","","1.035","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559282","13.8929","0.0005","10.8012","0.0004","27.4228","0.0009","90","","91.771","0.002","90","","4113.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 F3 N4 Ni -","- C48 H50 F3 N4 Ni -","- C192 H200 F12 N16 Ni4 -","4","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0527","0.037","","","0.0883","0.0957","","","","","","1.02","","","","has coordinates,has disorder","258209","2020-10-21","18:00:00",""
"1559283","20.0814","0.0016","18.4603","0.0014","22.7528","0.0018","90","","90","","90","","8434.7","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H49 F5 N4 Ni -","- C48 H49 F5 N4 Ni -","- C384 H392 F40 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0724","0.0463","","","0.1023","0.1166","","","","","","1.039","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559284","17.3579","0.0003","13.3131","0.0002","19.0795","0.0003","90","","105.933","0.002","90","","4239.65","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H48 F5 N4 Ni -","- C48 H48 F5 N4 Ni -","- C192 H192 F20 N16 Ni4 -","4","0.5","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","x-ray","1.54184","CuKα","","0.043","0.04","","","0.1067","0.1096","","","","","","1.083","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559285","21.976","0.003","13.106","0.0015","17.395","0.003","90","","122.824","0.003","90","","4210.2","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H49 F4 N4 Ni -","- C48 H49 F4 N4 Ni -","- C192 H196 F16 N16 Ni4 -","4","0.5","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0533","0.044","","","0.115","0.1214","","","","","","1.04","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559286","15.9816","0.0012","31.3","0.002","15.8502","0.0012","90","","90","","90","","7928.7","1","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 B F4 N4 Ni -","- C42 H48 B F4 N4 Ni -","- C336 H384 B8 F32 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0759","0.0528","","","0.1166","0.1267","","","","","","1.1","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559287","20.5349","0.001","18.6375","0.0009","22.7188","0.0012","90","","90","","90","","8694.9","0.8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 F6 N4 Ni -","- C48 H48 F6 N4 Ni -","- C384 H384 F48 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0815","0.0567","","","0.1233","0.1358","","","","","","1.09","","","","has coordinates,has disorder","258209","2020-10-21","18:00:00",""
"1559288","17.054","0.002","18.722","0.003","22.837","0.003","90","","90","","90","","7291.5","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 F2 N4 Ni -","- C42 H48 F2 N4 Ni -","- C336 H384 F16 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0891","0.0576","","","0.1478","0.1766","","","","","","1.051","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559289","57.6292","0.0015","16.977","0.0005","48.8318","0.0013","90","","115.332","0.001","90","","43182","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C230 H264 Al6 Mo90 N46 O255 -","- C205.5 H120 Al7.6 Mo91.583 N43.5 O218.42 -","- C822 H480 Al30.4 Mo366.332 N174 O873.68 -","4","1","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","1.54178","CuKα","","0.0968","0.0935","","","0.3028","0.3061","","","","","","2.607","","","","has coordinates","258885","2020-11-06","12:38:28",""
"1559290","42.3973","0.0018","42.3973","0.0018","42.3973","0.0018","90","","90","","90","","76210","6","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H82 Mo66 N12 O213 V11 -","- C60 H60 Mo66 N12 O213 V11 -","- C480 H480 Mo528 N96 O1704 V88 -","8","0.0416667","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","0.71073","MoKα","","0.0831","0.0735","","","0.2385","0.2504","","","","","","2.251","","","","has coordinates","258885","2020-11-06","12:38:29",""
"1559291","42.593","0.002","42.593","0.002","42.593","0.002","90","","90","","90","","77271","6","240","2","240","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H70 Ge9 Mo68 N12 O209 -","- C60 H60 Ge9 Mo68 N12 O209 -","- C480 H480 Ge72 Mo544 N96 O1672 -","8","0.0416667","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","0.71073","MoKα","","0.0977","0.0727","","","0.1906","0.2035","","","","","","1.451","","","","has coordinates","258885","2020-11-06","12:38:29",""
"1559292","6.3429","0.0009","6.9256","0.0011","13.53","0.002","90","","99.769","0.012","90","","585.73","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias","Insight into the synthesis of N-methylated polypeptides","Polymer Chemistry","2020","11","43","6919","6927","10.1039/D0PY01055C","","","0.71073","MoKα","","0.175","0.117","","","0.2821","0.3278","","","","","","1.145","","","","has coordinates","259626","2020-12-06","14:54:23",""
"1559293","7.9782","0.001","5.9102","0.0005","9.3714","0.0013","90","","100.168","0.011","90","","434.95","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C14 H22 N2 O6 S2 -","2","1","","Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias","Insight into the synthesis of N-methylated polypeptides","Polymer Chemistry","2020","11","43","6919","6927","10.1039/D0PY01055C","","","0.71073","MoKα","","0.0991","0.0756","","","0.1762","0.1951","","","","","","1.058","","","","has coordinates","259626","2020-12-06","14:54:23",""
"1559294","17.9121","0.0006","22.9333","0.0008","22.1479","0.0011","90","","90","","90","","9098","0.6","123","","123","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C44 H32 F12 N4 P2 -","- C44 H32 F12 N4 P2 -","- C352 H256 F96 N32 P16 -","8","0.5","","Kodama, Takuya; Kubo, Maiko; Shinji, Wataru; Ohkubo, Kei; Tobisu, Mamoru","Phenylene-bridged bis(benzimidazolium) (BBIm2+): a dicationic organic photoredox catalyst","Chemical Science","2020","","","","","10.1039/D0SC03958F","","x-ray","0.71073","MoKα","","0.1396","0.1005","","","0.246","0.2714","","","","","","1.0321","","","","has coordinates","258241","2020-10-21","18:00:00",""
"1559295","10.0517","0.0003","11.6821","0.0006","12.7352","0.0007","90","","90","","90","","1495.43","0.12","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","","Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N","The Simplest Diels-Alder Reactions Are Not Endo-Selective","Chemical Science","2020","","","","","10.1039/D0SC04553E","","","0.71073","MoKα","","0.0599","0.044","","0.1028","0.0961","0.1028","","","","","","1.0478","","","","has coordinates","258242","2020-10-21","18:00:00",""
"1559296","7.711","0.0002","8.0661","0.0002","12.5023","0.0003","90","","90","","90","","777.61","0.03","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","","Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N","The Simplest Diels-Alder Reactions Are Not Endo-Selective","Chemical Science","2020","","","","","10.1039/D0SC04553E","","","0.71073","MoKα","","0.0443","0.0393","","0.1023","0.0996","0.1023","","","","","","1.0447","","","","has coordinates","258242","2020-10-21","18:00:00",""
"1559297","13.4664","0.0002","14.7987","0.0002","19.627","0.0003","90","","91.27","0.001","90","","3910.41","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H122 As2 Fe2 N4 -","- C84 H122 As2 Fe2 N4 -","- C168 H244 As4 Fe4 N8 -","2","0.5","","Beltrán-Suito, Rodrigo; Menezes, Prashanth W.; Dau, Holger; Zebger, Ingo; Laun, Konstantin; Zaharieva, Ivelina; Driess, Matthias; mebs, stephan; Hausmann, Jan Niklas; Forstner, Viktoria; Schmidt, Johannes","A Soft Molecular 2Fe 2As Precursor Approach to Nanostructured FeAs For Efficient Electrocatalytic Water Oxidation","Chemical Science","2020","","","","","10.1039/D0SC04384B","","","1.54184","CuKα","","0.0455","0.0364","","","0.0929","0.1001","","","","","","1.033","","","","has coordinates,has disorder","258243","2020-10-21","18:00:00",""
"1559298","8.021","0.0002","10.0682","0.0002","29.3914","0.0007","90","","90","","90","","2373.56","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","0.71073","MoKα","","0.0678","0.0547","","","0.1346","0.141","","","","","","1.059","","","","has coordinates,has disorder","258245","2020-10-21","18:00:00",""
"1559299","11.3164","0.0003","6.9373","0.0001","17.384","0.0004","90","","102.274","0.002","90","","1333.54","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O10 -","- C28 H29 N O10 -","- C56 H58 N2 O20 -","2","1","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","0.71073","MoKα","","0.0411","0.0339","","","0.0709","0.0739","","","","","","1.031","","","","has coordinates","258245","2020-10-21","18:00:00",""
"1559300","11.617","0.002","12.88","0.003","27.194","0.005","90","","90","","90","","4069","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C176 H224 O48 -","8","2","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","1.54178","CuKα","","0.0541","0.0539","","","0.1383","0.1386","","","","","","1.048","","","","has coordinates","258245","2020-10-21","18:00:00",""
"1559301","12.5519","0.0009","23.6646","0.0018","16.9746","0.0012","90","","94.02","0.002","90","","5029.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Cy2NNN)RuCl2(CO)","","- C21.5 H32 Cl2 N3 O2.5 Ru -","- C21.5 H30 Cl2 N3 O2.5 Ru -","- C172 H240 Cl16 N24 O20 Ru8 -","8","2","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0989","0.0672","","","0.1315","0.1572","","","","","","0.925","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559302","9.2304","0.0005","10.8098","0.0006","18.2395","0.0011","90","","96.278","0.002","90","","1809","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(iPr2NNN)RuCl2(CO)","","- C14 H21 Cl2 N3 O2 Ru -","- C14 H21 Cl2 N3 O2 Ru -","- C56 H84 Cl8 N12 O8 Ru4 -","4","1","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0455","0.0376","","","0.0872","0.0939","","","","","","1.042","","","","has coordinates","260595","2021-01-07","04:17:16",""
"1559303","48.916","0.003","48.916","0.003","13.7593","0.001","90","","90","","90","","32923","4","103","2","103","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C87 H95 B2 Cl F10 O4 S4 -","- C81 H90 B2 F10 O4 S4 -","- C1296 H1440 B32 F160 O64 S64 -","16","1","","Li, Panpan; Liang, Quanbin; Hong, Eugene Yau-Hin; Chan, Chin-Yiu; Cheng, Yat-Hin; Leung, Ming-Yi; Chan, Mei-Yee; Low, Kam-Hung; Wu, Hongbin; Yam, Vivian Wing-Wah","Boron(iii) β-diketonate-based small molecules for functional non-fullerene polymer solar cells and organic resistive memory devices","Chemical Science","2020","","","","","10.1039/D0SC04047A","","","1.34138","GaKα","","0.1567","0.0979","","","0.2642","0.3243","","","","","","1.125","","","","has coordinates,has disorder","258261","2020-10-21","18:00:00",""
"1559304","5.8853","0.0002","7.6219","0.0002","16.1377","0.0004","90","","97.424","0.003","90","","717.82","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0458","0.0439","","0.1175","0.1151","0.1175","","","","","","1.0016","","","","has coordinates","258262","2020-10-21","18:00:00",""
"1559305","6.6615","0.0002","9.1823","0.0002","22.2795","0.0006","90","","90","","90","","1362.79","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Br O3 -","- C13 H21 Br O3 -","- C52 H84 Br4 O12 -","4","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0331","0.0326","","0.0923","0.0921","0.0923","","","","","","1.0686","","","","has coordinates","258262","2020-10-21","18:00:00",""
"1559306","8.3606","0.0003","13.1527","0.0007","14.3775","0.001","90","","90","","90","","1581.01","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0592","0.0431","","0.1267","0.103","0.1267","","","","","","1.0121","","","","has coordinates,has disorder","258262","2020-10-21","18:00:00",""
"1559307","5.9422","0.0002","7.602","0.0002","14.7513","0.0004","90","","101.005","0.002","90","","654.1","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C26 H44 O8 -","2","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0586","0.0575","","0.1537","0.1495","0.1537","","","","","","1.0015","","","","has coordinates,has disorder","258262","2020-10-21","18:00:00",""
"1559308","17.7851","0.0005","17.7697","0.0005","22.5973","0.0006","90","","105.588","0.001","90","","6878.9","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZJY393","","","- C66 H92 B N9 O9 Zn -","- C66 H92 B N9 O9 Zn -","- C264 H368 B4 N36 O36 Zn4 -","4","1","","Kirk, Martin L.; Dangi, Ranjana; Habel-Rodriguez, Diana; Yang, Jing; Shultz, David A.; Zhang, Jinyuan","Transferrable property relationships between magnetic exchange coupling and molecular conductance","Chemical Science","2020","","","","","10.1039/D0SC04350H","","","0.71073","MoKα","","0.0565","0.0483","","","0.1384","0.1468","","","","","","1.033","","","","has coordinates","258263","2020-10-21","18:00:00",""
"1559309","17.5685","0.0015","17.859","0.0015","22.7631","0.0018","90","","105.077","0.003","90","","6896.2","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PyN","","","- C73 H100 B N9 O4 Zn -","- C73 H100 B N9 O4 Zn -","- C292 H400 B4 N36 O16 Zn4 -","4","1","","Kirk, Martin L.; Dangi, Ranjana; Habel-Rodriguez, Diana; Yang, Jing; Shultz, David A.; Zhang, Jinyuan","Transferrable property relationships between magnetic exchange coupling and molecular conductance","Chemical Science","2020","","","","","10.1039/D0SC04350H","","","0.71073","MoKα","","0.1103","0.0701","","","0.1581","0.1797","","","","","","1.053","","","","has coordinates","258263","2020-10-21","18:00:00",""
"1559310","10.5956","0.0004","11.0155","0.0004","17.0375","0.0006","90","","90","","90","","1988.55","0.13","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54178","CuKα","","0.0378","0.0362","","","0.0892","0.0909","","","","","","1.045","","","","has coordinates","258273","2020-10-21","18:00:00",""
"1559311","10.3067","0.0002","10.8729","0.0002","17.3336","0.0004","90","","90","","90","","1942.47","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54178","CuKα","","0.0312","0.0303","","","0.0759","0.0767","","","","","","1.056","","","","has coordinates","258274","2020-10-21","18:00:00",""
"1559312","9.4133","0.0002","12.7259","0.0003","16.595","0.0004","90","","90","","90","","1987.96","0.08","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54184","CuKα","","0.0575","0.056","","","0.1422","0.1437","","","","","","1.023","","","","has coordinates","258275","2020-10-21","18:00:00",""
"1559313","10.2716","0.0002","12.1391","0.0002","17.1059","0.0003","90","","90","","90","","2132.9","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C80 H112 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54184","CuKα","","0.0534","0.0517","","","0.1315","0.1338","","","","","","1.067","","","","has coordinates","258276","2020-10-21","18:00:00",""
"1559314","22.292","0.005","14.181","0.005","22.91","0.005","90","0.005","117.461","0.005","90","0.005","6426","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(BDI)Nb(NtBu)(μ-S)]2","bis(μ2-sulfido)-bis(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V)","","- C66 H100 N6 Nb2 S2 -","- C66 H100 N6 Nb2 S2 -","- C264 H400 N24 Nb8 S8 -","4","0.5","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71069","MoKα","","0.0244","0.0228","","","0.0586","0.0598","","","","","","1.045","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559315","11.6646","0.0008","12.6365","0.0007","17.2467","0.001","81.664","0.002","85.819","0.003","68.744","0.002","2343.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(BDI)Nb(NAr)(O)(DMAP)","(2,6-diisopropylphenyl)imino-oxido-4-dimethylaminopyridine-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) benzene solvate","","- C51 H71 N5 Nb O -","- C51 H71 N5 Nb O -","- C102 H142 N10 Nb2 O2 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0312","0.0288","","","0.0716","0.0732","","","","","","1.065","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559316","18.1386","0.0006","13.7454","0.0005","19.8912","0.0007","90","","106.288","0.001","90","","4760.3","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","(BDI)Nb(NAr)(N(tBu)CO2)","(N-tert-butylcarbamidato-N,O)-(2,6-diisopropylphenyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) diethyl ether solvate","","- C50 H77 N4 Nb O3 -","- C50 H77 N4 Nb O3 -","- C200 H308 N16 Nb4 O12 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0347","0.0325","","","0.077","0.0784","","","","","","1.048","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559317","13.322","0.005","12.754","0.005","21.266","0.005","90","0.005","91.766","0.005","90","0.005","3612","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(BDI)NbH(NHtBu)(NtBu)","hydrido-(tert-butyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C37 H61 N4 Nb -","- C37 H61 N4 Nb -","- C148 H244 N16 Nb4 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0694","0.066","","","0.1485","0.15","","","","","","1.09","","","","has coordinates,has disorder","258285","2020-10-21","18:00:00",""
"1559318","10.6503","0.0007","24.6381","0.0015","16.5787","0.0011","90","","97.111","0.003","90","","4316.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(BDI)Nb(OC(H)O)(N[SiH2nBu]tBu)(NtBu)","Formato-(N-(tert-butyl)-1-phenylsilyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C42 H71 N4 Nb O2 Si -","- C42 H71 N4 Nb O2 Si -","- C168 H284 N16 Nb4 O8 Si4 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0396","0.0336","","","0.0948","0.0995","","","","","","1.119","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559319","12.535","0.0005","17.446","0.0008","20.5667","0.0008","90","","96.552","0.002","90","","4468.3","0.3","100","2","99.99","","","","","","","","","6","P 1 n 1","P -2yac","7","(BDI)Nb(OC(H)O)(N[BO2C6H12]tBu)(NtBu)","Formato-(N-(tert-butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-amino)-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C44 H72 B N4 Nb O4 -","- C44 H72 B N4 Nb O4 -","- C176 H288 B4 N16 Nb4 O16 -","4","2","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0519","0.0384","","","0.0778","0.0847","","","","","","1.031","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559320","19.517","0.002","18.7959","0.0018","22.58","0.003","90","","90","","90","","8283.2","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(BDI)Nb(NtBu)(NHtBu)(CCtBu)","(3,3-diemethylbut-1-ynylyl)-(tert-butyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C43 H69 N4 Nb -","- C43 H69 N4 Nb -","- C344 H552 N32 Nb8 -","8","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0559","0.0447","","","0.0918","0.097","","","","","","1.051","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559321","17.1406","0.0016","25.1","0.003","22.772","0.003","90","","111.348","0.005","90","","9125","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(BDI)Nb(NtBu)(μ-O2CN(tBu)CO2)]2","bis(μ2-(tert-butyl)iminodicarboxylato)-bis(tert-butyl)imino-bis(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V) toluene solvate","","- C85 H126 N8 Nb2 O8 -","- C85 H126 N8 Nb2 O8 -","- C340 H504 N32 Nb8 O32 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0901","0.0494","","","0.1038","0.1179","","","","","","1.022","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559322","9.897","0.002","11.357","0.002","21.303","0.004","90.045","0.006","101.926","0.005","113.572","0.006","2138","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","(BDI)NbH(N[BO2C6H12]tBu)(NtBu)","hydrido-(N-(tert-butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-amino)-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C43 H72 B N4 Nb O2 -","- C43 H72 B N4 Nb O2 -","- C86 H144 B2 N8 Nb2 O4 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0845","0.0758","","","0.2054","0.219","","","","","","1.052","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559323","10.6684","0.0003","12.8523","0.0004","21.1721","0.0007","101.451","0.002","103.695","0.001","103.1","0.001","2647.7","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(BDI)NbH(N[SiH2Ph]tBu)(NtBu)","hydrido-(N-(tert-butyl)-1-phenylsilyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) hexamethyldisiloxane solvate","","- C49 H85 N4 Nb O Si3 -","- C49 H85 N4 Nb O Si3 -","- C98 H170 N8 Nb2 O2 Si6 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0771","0.0476","","","0.088","0.0995","","","","","","1.026","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559324","22.2228","0.0019","24.338","0.002","24.561","0.002","90","","91.576","0.003","90","","13279","1.9","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(BDI)Nb(NAr)(N(tBu)CO2B(C6F5)3)","(tris(pentafluorophenyl)borate-N-tert-butylcarbamidato-N,O)-(2,6-diisopropylphenyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) diethyl ether solvate","","- C68 H77 B F15 N4 Nb O3 -","- C68 H77 B F15 N4 Nb O3 -","- C544 H616 B8 F120 N32 Nb8 O24 -","8","2","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.1239","0.0688","","","0.1694","0.1923","","","","","","0.969","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559325","13.3294","0.0012","15.6578","0.0014","24.934","0.002","76.581","0.004","81.666","0.004","83.559","0.004","4991.7","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","[(BDI)Nb(NAr)(μ-CO3)]2","bis(μ2-carbonato-O,O?:O??)-bis(2,6-diisopropylphenyl)imino-bis(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V) hexamethydisiloxane solvate","","- C96 H152 N6 Nb2 O8 Si4 -","- C96 H152 N6 Nb2 O8 Si4 -","- C192 H304 N12 Nb4 O16 Si8 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0849","0.0603","","","0.1587","0.1698","","","","","","1.002","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559326","12.629","0.002","21.336","0.004","19.715","0.004","90","","92.431","0.004","90","","5307.5","1.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(BDI)Nb(OCHNtBu)(O[SiMe2Ph])(NAr)","(2,6-diisopropylphenyl)imino-(tert-butyliminomethoxy)-dimethylphenylsilanolato-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C54 H79 N4 Nb O2 Si -","- C54 H79 N4 Nb O2 Si -","- C216 H316 N16 Nb4 O8 Si4 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0576","0.0453","","","0.1023","0.1082","","","","","","1.043","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559327","13.4066","0.0004","13.5108","0.0004","14.4569","0.0004","101.715","0.001","96.702","0.002","90.848","0.002","2544.57","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","(κ1-BDI)Nb(NtBu)(NHtBu)(SCPh3)","(tert-butyl)amino-(tert-butyl)imino-(triphenylmethylthiolato)-(N-(4-((2,6-diisopropylphenyl)imino)pent-2-en-2-yl)-2,6-diisopropylanilido)-niobium(V)","","- C56 H75 N4 Nb S -","- C56 H75 N4 Nb S -","- C112 H150 N8 Nb2 S2 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0416","0.0329","","","0.0753","0.0799","","","","","","1.055","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559328","24.1485","0.0011","15.8759","0.0007","24.2007","0.0011","90","","101.813","0.002","90","","9081.5","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(BDI)Nb(NAr)(N(tBu)C(CPh2)O)","(N-tert-butylamino-2,2-diphenylethenolato-N,O)-(2,6-diisopropylphenyl)imino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C51 H69 N4 Nb O -","- C51 H69 N4 Nb O -","- C408 H552 N32 Nb8 O8 -","8","2","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0531","0.0395","","","0.1044","0.1145","","","","","","1.052","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559329","17.6394","0.0012","20.8107","0.0013","25.0878","0.0015","90","","100.667","0.001","90","","9050.3","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(κ1-BDI)Nb(Py)(NAr)-(μ-O)2-(NAr)Nb(BDI)","bis(μ2-oxido)-bis(2,6-diisopropylphenyl)imino-(N-(4-((2,6-diisopropylphenyl)imino)pent-2-en-2-yl)-2,6-diisopropylanilido)-pyridine-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V) diethyl ether solvate","","- C91 H131 N7 Nb2 O3 -","- C91 H131 N7 Nb2 O3 -","- C364 H524 N28 Nb8 O12 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0639","0.0445","","","0.113","0.1237","","","","","","1.069","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559330","21.1222","0.0009","15.1915","0.0007","13.8822","0.0006","90","","99.791","0.001","90","","4389.6","0.3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl4 N8 O12 Re4 S4 -","- C30 H16 Cl4 N8 O12 Re4 S4 -","- C120 H64 Cl16 N32 O48 Re16 S16 -","4","1","","Amemiya, Erika; Loo, Aaron; Shlian, Daniel G.; Parkin, Gerard","Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound","Chemical Science","2020","","","","","10.1039/D0SC04596A","","","0.71073","MoKα","","0.056","0.0343","","","0.0673","0.0762","","","","","","1.014","","","","has coordinates,has disorder","258286","2020-10-21","18:00:00",""
"1559331","21.1224","0.0009","15.1913","0.0007","13.8819","0.0006","90","","99.7881","0.0007","90","","4389.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H16 Cd4 Cl8 O12 -","- C38 H16 Cd4 Cl8 O12 -","- C152 H64 Cd16 Cl32 O48 -","4","1","","Amemiya, Erika; Loo, Aaron; Shlian, Daniel G.; Parkin, Gerard","Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound","Chemical Science","2020","","","","","10.1039/D0SC04596A","","","0.71073","MoKα","","0.0902","0.0678","","","0.1947","0.2167","","","","","","1.028","","","","has coordinates,has disorder","258286","2020-10-21","18:00:00",""
"1559332","7.413","0.0008","9.2858","0.0007","10.1238","0.001","90","","102.841","0.01","90","","679.45","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyridine-4-carboxamidoxime <i>N</i>-oxide","(<i>Z</i>)-4-(<i>N</i>'-Hydroxycarbamimidoyl)pyridine <i>N</i>-oxide","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","BH4056","Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E.","Pyridine-4-carboxamidoxime <i>N</i>-oxide","IUCrData","2020","5","10","x201335","","10.1107/S2414314620013358","","x-ray","0.71073","MoKα","","0.0553","0.0392","","","0.0922","0.1009","","","","","","1.042","","","","has coordinates,has Fobs","258303","2020-10-21","18:00:00",""
"1559333","24.7018","0.0006","6.3093","0.0001","13.2103","0.0003","90","","118.05","0.0008","90","","1817.01","0.07","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(Dimethylamino)benzohydrazide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","HB4366","Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","4-(Dimethylamino)benzohydrazide","IUCrData","2020","5","10","x201310","","10.1107/S2414314620013103","","","1.54178","CuKα","","0.0365","0.0363","","","0.098","0.0982","","","","","","1.067","","","","has coordinates,has Fobs","258304","2020-10-21","18:00:00",""
"1559334","19.8956","0.0001","18.1458","0.0002","19.4211","0.0001","90","","91.388","0.001","90","","7009.38","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H63 B F24 N2 -","- C78 H63 B F24 N2 -","- C312 H252 B4 F96 N8 -","4","0.5","","Bot, Marek; Gorbachev, Vladimir M.; Tsybizova, Alexandra; Chen, Peter","Bond Dissociation Energies in the Gas Phase for Large Molecular Ions by Threshold Collision-Induced Dissociation Experiments: a Benchmarking Study.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c05712","","x-ray","1.54184","CuKα","","0.0397","0.0366","","","0.0987","0.101","","","","","","1.061","","","","has coordinates,has disorder","258318","2020-10-21","18:00:00",""
"1559335","9.8142","0.0004","9.8142","0.0004","54.0271","0.0012","90","","90","","90","","5203.8","0.3","120","","120","","","","","","","","","5","P 43","P 4cw","78","","","","- C59 H77 N2 Na O7 -","- C59 H77 N2 Na O7 -","- C236 H308 N8 Na4 O28 -","4","1","","Gruszka, Weronika; Lykkeberg, Anna; Nichol, Gary S.; Shaver, Michael P.; Buchard, Antoine; Garden, Jennifer A.","Combining alkali metals and zinc to harness heterometallic cooperativity in cyclic ester ring-opening polymerisation","Chemical Science","2020","","","","","10.1039/D0SC04705H","","x-ray","1.54184","CuKα","","0.0928","0.069","","","0.1656","0.176","","","","","","0.972","","","","has coordinates","258319","2020-10-21","18:00:00",""
"1559336","11.614","0.002","11.913","0.002","14.995","0.003","90.34","0.03","100.67","0.03","114.2","0.03","1851.9","0.8","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 Fe2 N3 O12 S2 -","- C33 H33 Fe2 N3 O12 S2 -","- C66 H66 Fe4 N6 O24 S4 -","2","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","0.8","synchrotron","","0.0618","0.0575","","","0.1508","0.155","","","","","","1.038","","","","has coordinates,has disorder","258320","2020-10-21","18:00:00",""
"1559337","42.379","0.009","22.277","0.005","31.801","0.006","90","","98.36","0.03","90","","29704","11","130","2","130","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","q3pn2afe","","- C107 H105 Cl9 Fe2 N19 O23 S2 -","- C107 H105 Cl9 Fe2 N19 O23 S2 -","- C856 H840 Cl72 Fe16 N152 O184 S16 -","8","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","1.54178","CuKα","","0.1747","0.1284","","","0.3409","0.3765","","","","","","1.132","","","","has coordinates","258320","2020-10-21","18:00:00",""
"1559338","17.496","0.004","21.656","0.004","33.846","0.007","97.71","0.03","104.52","0.03","97.62","0.03","12116","5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C195 H198 Cl Fe2 N30 O35 S2 -","- C195 H198 Cl Fe2 N30 O35 S2 -","- C390 H396 Cl2 Fe4 N60 O70 S4 -","2","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","1.54178","CuKα","","0.1555","0.089","","","0.2277","0.2566","","","","","","0.873","","","","has coordinates","258320","2020-10-21","18:00:00",""
"1559339","17.679","0.004","22.049","0.004","25.574","0.005","72.8","0.03","73.1","0.03","79.74","0.03","9065","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H150 Cl3 Fe2 N24 O29 S2 -","- C148 H150 Cl3 Fe2 N24 O29 S2 -","- C296 H300 Cl6 Fe4 N48 O58 S4 -","2","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","0.81","synchrotron","","0.1384","0.1129","","","0.3401","0.3608","","","","","","1.367","","","","has coordinates,has disorder","258320","2020-10-21","18:00:00",""
"1559340","26.6118","0.0013","29.0835","0.0013","36.1175","0.0012","83.259","0.003","82.984","0.003","68.182","0.004","25678","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H206 Cl6 Fe2 N30 O37 S2 -","- C200 H206 Cl6 Fe2 N30 O37 S2 -","- C800 H824 Cl24 Fe8 N120 O148 S8 -","4","2","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","1.54178","CuKα","","0.2194","0.117","","","0.226","0.2564","","","","","","1.088","","","","has coordinates","258320","2020-10-21","18:00:00",""
"1559341","9.2468","0.0004","15.2962","0.0005","6.6028","0.0002","90","","95.037","0.001","90","","930.3","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Bagrov, Vladimir V.; Tavtorkin, Alexander N.; Komarov, Pavel D.; Churakov, Andrei V.; Ivchenko, Pavel V.","Substituted glycolides from natural sources: preparation, alcoholysis and polymerization","Polymer Chemistry","2020","11","43","6890","6902","10.1039/D0PY01297A","","","0.71073","MoKα","","0.0497","0.0408","","","0.0889","0.0932","","","","","","1.061","","","","has coordinates","259627","2020-12-06","14:54:29",""
"1559342","4.9504","0.0007","18.053","0.002","19.902","0.003","90","","92.566","0.003","90","","1776.8","0.4","295.68","","295.68","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei","Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications","Materials Horizons","2020","7","12","3298","3304","10.1039/D0MH01252A","","","0.71073","MoKα","","0.068","0.0518","","","0.1166","0.1296","","","","","","1.096","","","","has coordinates","260829","2021-01-07","07:16:39",""
"1559343","16.125","0.012","5.437","0.004","22.259","0.017","90","","110.185","0.015","90","","1832","2","299","2","298.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O -","- C25 H16 N2 O -","- C100 H64 N8 O4 -","4","1","","Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei","Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications","Materials Horizons","2020","7","12","3298","3304","10.1039/D0MH01252A","","","0.71073","MoKα","","0.1459","0.0903","","","0.2255","0.2675","","","","","","1.05","","","","has coordinates","260829","2021-01-07","07:16:39",""
"1559346","13.4349","0.0007","10.9885","0.0006","16.24","0.0008","90","","99.696","0.002","90","","2363.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl N2 O Pt -","- C27 H27 Cl N2 O Pt -","- C108 H108 Cl4 N8 O4 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0136","0.0119","","","0.0283","0.0288","","","","","","1.084","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559347","10.2035","0.0013","11.6074","0.0013","11.9285","0.0014","66.77","0.004","69.911","0.004","86.434","0.004","1214.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl F2 N2 Pt -","- C30 H23 Cl F2 N2 Pt -","- C60 H46 Cl2 F4 N4 Pt2 -","2","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0236","0.02","","","0.0461","0.0477","","","","","","1.062","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559348","15.86","0.0007","15.199","0.0007","11.1926","0.0005","90","","94.632","0.002","90","","2689.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O4 Pt -","- C30 H27 Cl N2 O4 Pt -","- C120 H108 Cl4 N8 O16 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0239","0.0202","","","0.0476","0.0489","","","","","","1.047","","","","has coordinates,has disorder","258351","2020-10-21","18:00:00",""
"1559349","11.991","0.006","16.041","0.008","13.873","0.007","90","","106.484","0.018","90","","2559","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl N2 Pt -","- C32 H27 Cl N2 Pt -","- C128 H108 Cl4 N8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.015","0.0133","","","0.0313","0.0318","","","","","","1.085","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559350","13.989","0.003","14.57","0.003","14.971","0.003","66.227","0.006","63.842","0.006","67.391","0.006","2425.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 B Cl3 N3 Pt -","- C57 H49 B Cl3 N3 Pt -","- C114 H98 B2 Cl6 N6 Pt2 -","2","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0214","0.0202","","","0.051","0.0516","","","","","","1.065","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559351","16.5931","0.0012","10.5622","0.0008","15.6839","0.0012","90","","91.297","0.003","90","","2748.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl3 N2 O2 Pt -","- C29 H27 Cl3 N2 O2 Pt -","- C116 H108 Cl12 N8 O8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0379","0.0263","","","0.0581","0.0622","","","","","","1.046","","","","has coordinates,has disorder","258351","2020-10-21","18:00:00",""
"1559352","11.728","0.0015","14.9916","0.0019","16.163","0.002","90","","102.038","0.004","90","","2779.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl3 F2 N2 Pt -","- C31 H25 Cl3 F2 N2 Pt -","- C124 H100 Cl12 F8 N8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0194","0.0167","","","0.0422","0.0432","","","","","","1.003","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559353","11.8828","0.0007","16.0961","0.0009","13.7671","0.0007","90","","106.456","0.002","90","","2525.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl N2 Pt -","- C32 H27 Cl N2 Pt -","- C128 H108 Cl4 N8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0232","0.0182","","","0.0408","0.0422","","","","","","1.056","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559354","12.1001","0.0019","13.3139","0.0018","13.4869","0.0012","62.471","0.009","63.694","0.007","87.388","0.011","1692.2","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","","- C15 H10 Cl N5 O6 Zn -","- C15 H10 Cl N5 O6 Zn -","- C60 H40 Cl4 N20 O24 Zn4 -","4","2","","Adrian, Rafael A.; Canales, Daniela; Arman, Hadi D.","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","IUCrData","2020","5","10","x201344","","10.1107/S2414314620013449","","","0.71073","MoKα","","0.0481","0.0427","","","0.104","0.1092","","","","","","1.014","","","","has coordinates,has Fobs","258363","2020-10-21","18:00:00",""
"1559355","21.4965","0.0013","8.105","0.0004","24.4598","0.0014","90","","107.47","0.002","90","","4065","0.4","100","2","99.69","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 N16 O20 S2 -","- C30 H32 N16 O20 S2 -","- C120 H128 N64 O80 S8 -","4","0.5","","Paul, Suparna; Das, Riyanka; Seth, Madhupa; Hirani, Harish; Murmu, Naresh Chandra; Banerjee, Priyabrata","A Urea-Functionalized Chemoreceptor for Expeditious Chromogenic Recognition of Toxic Industrial Pollutants Cu2+ and CN‒ from Real Water Sources and Biofluids: Diagnosis of Wilson’s disease from Human Urine","Industrial & Engineering Chemistry Research","2020","","","","","10.1021/acs.iecr.0c02695","","","0.71073","MoKα","","0.0709","0.0535","","","0.1249","0.1394","","","","","","1.029","","","","has coordinates,has disorder","258387","2020-10-21","18:00:00",""
"1559356","5.6906","0.0002","7.5658","0.0003","30.679","0.003","90","","90","","90","","1320.85","0.15","108.2","0.1","108.2","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C48 H72 O32 -","4","1","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0836","0.0855","","","","","","1.052","","","","has coordinates","258713","2020-11-04","01:27:40",""
"1559357","7.8647","0.0005","9.2285","0.0004","36.996","0.003","90","","90","","90","","2685.1","0.3","108.35","0.1","108.35","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C96 H144 O64 -","8","2","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0466","0.0434","","","0.1105","0.1131","","","","","","1.101","","","","has coordinates","258713","2020-11-04","01:27:41",""
"1559358","14.5132","0.0006","21.9543","0.0009","12.9943","0.0006","90","","94.23","0.004","90","","4129.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Cl2 O2 -","- C55 H40 Cl2 O2 -","- C220 H160 Cl8 O8 -","4","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.069","0.048","","","0.1278","0.1397","","","","","","1.063","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559359","11.6467","0.0003","13.896","0.0004","16.8565","0.0004","92.613","0.002","102.408","0.002","104.007","0.002","2571.41","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H58 Cl2 Si2 -","- C65 H58 Cl2 Si2 -","- C130 H116 Cl4 Si4 -","2","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.0568","0.0464","","","0.1257","0.1329","","","","","","1.064","","","","has coordinates","267074","2021-07-05","16:51:36",""
"1559364","7.7352","0.0018","10.022","0.002","10.902","0.003","75.534","0.004","83.91","0.004","71.785","0.003","777","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C40 H34 N6 -","2","1","","Yu, Tian-Yang; Xu, Wenhua; Lu, Hong; Wei, Hao","Cobalt-Catalyzed Intramolecular Decarbonylative Coupling of Acylindoles and Diarylketones through the Cleavage of C−C Bonds","Chemical Science","2020","","","","","10.1039/D0SC04326E","","","0.71073","MoKα","","0.0515","0.0417","","","0.1342","0.145","","","","","","0.867","","","","has coordinates","258435","2020-10-21","18:00:00",""
"1559365","19.212","0.0005","15.4949","0.0005","20.0978","0.0005","90","","90","","90","","5982.9","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H25 F6 N3 O8 -","- C30 H25 F6 N3 O8 -","- C240 H200 F48 N24 O64 -","8","1","","Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing","Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes","Chemical Science","2020","","","","","10.1039/D0SC04007J","","","0.71073","MoKα","","0.093","0.0561","","","0.1358","0.1645","","","","","","1.029","","","","has coordinates,has disorder","258436","2020-10-21","18:00:00",""
"1559366","9.7686","0.0007","14.2286","0.001","15.2461","0.0011","65.847","0.002","89.484","0.002","80.357","0.002","1902.1","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C76 H104 N8 O20 -","4","2","","Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing","Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes","Chemical Science","2020","","","","","10.1039/D0SC04007J","","","0.71073","MoKα","","0.1282","0.071","","","0.1372","0.1623","","","","","","1.094","","","","has coordinates","258436","2020-10-21","18:00:00",""
"1559367","9.6092","0.0004","24.7359","0.001","9.7874","0.0004","90","","116.35","0.002","90","","2084.68","0.15","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 -","- C29 H24 -","- C116 H96 -","4","1","","Wang, Yidong; Zhu, Jin; Guo, Rui; Lindberg, Haley; Wang, Yiming","Iron-Catalyzed α-C‒H functionalization of π-Bonds: Cross-Dehydrogenative Coupling and Mechanistic Insights","Chemical Science","2020","","","","","10.1039/D0SC05091A","","","1.54178","CuKα","","0.0453","0.0366","","","0.1054","0.1116","","","","","","1.093","","","","has coordinates","258437","2020-10-21","18:00:00",""
"1559368","17.0265","0.001","14.1187","0.0008","8.989","0.0005","90","","118.511","0.002","90","","1898.82","0.19","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Wang, Yidong; Zhu, Jin; Guo, Rui; Lindberg, Haley; Wang, Yiming","Iron-Catalyzed α-C‒H functionalization of π-Bonds: Cross-Dehydrogenative Coupling and Mechanistic Insights","Chemical Science","2020","","","","","10.1039/D0SC05091A","","","1.54178","CuKα","","0.0258","0.0257","","","0.0771","0.0773","","","","","","1.074","","","","has coordinates","258437","2020-10-21","18:00:00",""
"1559369","14.464","0.006","13","0.005","10.236","0.004","90","","97.227","0.01","90","","1909.4","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O3 P -","- C24 H19 O3 P -","- C96 H76 O12 P4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0818","0.0548","","","0.1326","0.1457","","","","","","1.037","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559370","6.2565","0.001","9.4325","0.001","16.395","0.002","90","","96.178","0.004","90","","961.9","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H21 O3 P -","- C24 H21 O3 P -","- C48 H42 O6 P2 -","2","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0263","0.0252","","","0.0678","0.0685","","","","","","1.025","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559371","8.145","0.003","13.268","0.004","10.374","0.003","90","","108.85","0.01","90","","1061","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O3 P -","- C12 H11 O3 P -","- C48 H44 O12 P4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0442","0.0344","","","0.0836","0.0886","","","","","","1.031","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559372","14.668","0.005","13.512","0.004","10.815","0.003","90","","92.316","0.009","90","","2141.7","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 O3 P -","- C26 H23 O3 P -","- C104 H92 O12 P4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0753","0.0456","","","0.0968","0.1073","","","","","","1.021","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559373","12.6855","0.001","11.4436","0.0009","15.6122","0.0011","90","","108.696","0.003","90","","2146.8","0.3","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 O2 P Si -","- C22 H25 O2 P Si -","- C88 H100 O8 P4 Si4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.1005","0.0641","","","0.1556","0.1819","","","","","","1.014","","","","has coordinates,has disorder","258438","2020-10-21","18:00:00",""
"1559374","13.3351","0.0004","16.6987","0.0004","17.3392","0.0003","88.307","0.002","76.712","0.002","82.866","0.002","3728.61","0.16","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1041","0.0889","","","0.274","0.2882","","","","","","1.049","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559375","13.6375","0.0006","15.398","0.0005","19.4824","0.0006","105.241","0.003","94.313","0.004","99.33","0.003","3865.1","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1814","0.0961","","","0.2539","0.3134","","","","","","0.986","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559376","14.699","0.002","17.173","0.003","17.727","0.002","65.789","0.014","65.996","0.013","72.836","0.014","3683.8","1","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.3262","0.1302","","","0.322","0.4378","","","","","","0.963","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559377","14.6444","0.0012","15.9434","0.0016","17.986","0.0011","106.356","0.007","113.691","0.007","95.799","0.008","3578.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.2605","0.2023","","","0.5001","0.5666","","","","","","1.275","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559378","22.5044","0.0008","8.2479","0.0003","16.3708","0.0006","90","","126.325","0.0011","90","","2448.15","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-bromo-2-isopropylphenol hemi-1,4-diazabicyclo[2.2.2]octane cocrystal","","- C12 H17 Br N O -","- C12 H17 Br N O -","- C96 H136 Br8 N8 O8 -","8","1","","Peng, Feng; Humphrey, Guy R.; Maloney, Kevin M.; Lehnherr, Dan; Weisel, Mark; Lévesque, Francois; Naber, John R.; Brunskill, Andrew P. J.; Larpent, Patrick; Zhang, Si-Wei; Lee, Alfred Y.; Arvary, Rebecca A.; Lee, Claire H.; Bishara, Daniel; Narsimhan, Karthik; Sirota, Eric; Whittington, Michael","Development of a Green and Sustainable Manufacturing Process for Gefapixant Citrate (MK-7264) Part 2: Development of a Robust Process for Phenol Synthesis","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00241","","","1.54178","CuKα","","0.0218","0.0209","","","0.0534","0.054","","","","","","1.063","","","","has coordinates","258455","2020-10-21","18:00:00",""
"1559379","34.0993","0.0015","34.2455","0.0015","23.9647","0.0011","90","","113.073","0.002","90","","25746","2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C428 H552 Cu24 N24 O144 -","- C264 H184 Cu24 N4 O144 -","- C528 H368 Cu48 N8 O288 -","2","0.25","","Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D.","Porous metal-organic alloys based on soluble coordination cages","Chemical Science","2020","","","","","10.1039/D0SC04941G","","","1.54178","CuKα","","0.1244","0.087","","","0.2348","0.295","","","","","","1.033","","","","has coordinates","258481","2020-10-21","18:00:00",""
"1559380","38.162","0.002","30.3222","0.0017","28.8145","0.0017","90","","110.311","0.003","90","","31270","3","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C504 H744 Cu24 N24 O144 -","- C224 H116 Cu24 N4 O144 -","- C448 H232 Cu48 N8 O288 -","2","0.25","","Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D.","Porous metal-organic alloys based on soluble coordination cages","Chemical Science","2020","","","","","10.1039/D0SC04941G","","","1.54178","CuKα","","0.1074","0.0816","","","0.2454","0.2855","","","","","","1.03","","","","has coordinates","258481","2020-10-21","18:00:00",""
"1559381","38.1865","0.0015","30.1168","0.0012","26.1698","0.0011","90","","106.633","0.003","90","","28837","2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C432 H616 Cu24 N8 O144 -","- C254 H168 Cu24 N8 O144 -","- C508 H336 Cu48 N16 O288 -","2","0.25","","Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D.","Porous metal-organic alloys based on soluble coordination cages","Chemical Science","2020","","","","","10.1039/D0SC04941G","","","1.54178","CuKα","","0.1381","0.098","","","0.2821","0.3341","","","","","","1.156","","","","has coordinates,has disorder","258481","2020-10-21","18:00:00",""
"1559382","6.01908","0.00011","7.87883","0.00016","45.2168","0.0012","91.9646","0.0019","92.9466","0.0018","90.3409","0.0016","2140.17","0.08","296","","296","","","","","","","","","3","P -1","-P 1","2","","2-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","1.54187","CuKα","","0.0854","0.0638","","","0.1652","0.1766","","","","","","1.092","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559383","6.1144","0.0003","7.948","0.0005","44.66","0.002","87.923","0.005","89.367","0.004","89.762","0.005","2168.8","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","9-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","1.54187","CuKα","","0.1414","0.0763","","","0.1905","0.2374","","","","","","0.951","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559384","6.0576","0.0003","8.0009","0.0004","44.519","0.003","87.629","0.005","88.944","0.004","89.75","0.004","2155.4","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","3-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","0.71075","MoKα","","0.233","0.1215","","","0.3241","0.3749","","","","","","1.048","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559385","6.00978","0.00014","7.87052","0.00018","45.2747","0.0012","91.737","0.002","92.907","0.002","90.217","0.0018","2137.73","0.09","296","","296","","","","","","","","","3","P -1","-P 1","2","","8-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","0.71073","MoKα","","0.1755","0.0648","","","0.1179","0.1583","","","","","","0.98","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559386","12.586","0.0002","15.1416","0.0002","13.4977","0.0002","90","","97.253","0.001","90","","2551.7","0.07","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F4 N -","- C32 H24 B F4 N -","- C128 H96 B4 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0515","0.0416","","","0.1063","0.1105","","","","","","1.026","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559387","11.07767","0.0002","21.641","0.0004","13.7711","0.0003","90","","101.839","0.0018","90","","3231.15","0.11","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 B Cl6 F4 N -","- C33 H22 B Cl6 F4 N -","- C132 H88 B4 Cl24 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0848","0.0695","","","0.183","0.1947","","","","","","1.074","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559388","8.5484","0.0005","11.4387","0.0006","13.608","0.0009","103.553","0.005","90.551","0.005","98.266","0.005","1278.84","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N P -","- C31 H22 F6 N P -","- C62 H44 F12 N2 P2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0492","0.0362","","","0.0939","0.1006","","","","","","1.024","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559389","8.4537","0.0006","11.0248","0.0009","13.8145","0.001","108.087","0.007","95.552","0.006","99.64","0.006","1191.32","0.17","100.01","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 B F4 N -","- C31 H22 B F4 N -","- C62 H44 B2 F8 N2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0491","0.0365","","","0.0898","0.0957","","","","","","1.007","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559390","15.62776","0.00016","16.52398","0.00016","18.67576","0.00019","90","","90","","90","","4822.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 B F4 N -","- C32 H22 B F4 N -","- C256 H176 B8 F32 N8 -","8","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0471","0.0402","","","0.1102","0.1153","","","","","","1.02","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559391","6.3136","0.0002","11.6138","0.0005","12.633","0.0005","90","","95.292","0.003","90","","922.36","0.06","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","BT4099","Kotha, Sambasivarao; Ansari, Saima; Cheekatla, Subba Rao","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","IUCrData","2020","5","10","x201380","","10.1107/S2414314620013802","","","0.71073","MoKα","","0.0551","0.0477","","","0.1075","0.1106","","","","","","1.096","","","","has coordinates,has Fobs","258520","2020-10-21","05:24:37",""
"1559392","24.8883","0.0007","7.2668","0.0003","34.9364","0.0013","90","","90","","90","","6318.5","0.4","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O2 Si -","- C38 H34 N2 O2 Si -","- C304 H272 N16 O16 Si8 -","8","1","","Guo, Jinna; Feng, Weiqiang; Du, Peiyao; Zhang, Ruizhong; Liu, Jia; Liu, Yu; Wang, Zhiming; Lu, Xiaoquan","Aggregation-Induced Electrochemiluminescence of Tetraphenylbenzosilole Derivatives in an Aqueous Phase System for Ultrasensitive Detection of Hexavalent Chromium.","Analytical chemistry","2020","92","21","14838","14845","10.1021/acs.analchem.0c03709","","","0.71073","MoKα","","0.0805","0.0623","","","0.175","0.1898","","","","","","1.061","","","","has coordinates","258705","2020-11-04","01:18:52",""
"1559395","8.42344","0.00005","13.02017","0.00008","15.78803","0.0001","90","","92.1346","0.0006","90","","1730.34","0.018","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","2","","Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00873","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0719","0.072","","","","","","1.067","","","","has coordinates","258564","2020-10-22","23:24:51",""
"1559396","8.4465","0.0002","13.0493","0.0004","15.8066","0.0005","90","","91.564","0.001","90","","1741.57","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","2","","Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00873","","","1.54178","CuKα","","0.0283","0.0282","","","0.0721","0.0722","","","","","","1.043","","","","has coordinates","258565","2020-10-22","23:25:17",""
"1559397","5.5043","0.0007","5.5043","0.0007","13.548","0.0001","90","","90","","120","","355.48","0.06","","","298","","","","100","","","","","5","R 3 c :H","R 3 -2""c","161","(Bi0.488Na0.512)(Ti0.975Nb0.025)O3","","","- Bi0.488 Na0.512 Nb0.025 O3 Ti0.975 -","- Bi0.469 Na0.508 Nb0.023 O2.97 Ti0.977 -","- Bi2.814 Na3.048 Nb0.138 O17.82 Ti5.862 -","6","0.333333","","Idemoto, Y.; Fujishiro, N.; Kitamura, N.","Ferroelectric and piezoelectric properties, and crystal structures of (Bi,Na)(Ti,M)O3 (M = Nb, Ta)","Journal of the Ceramic Society of Japan","2020","128","","766","771","10.2109/jcersj2.20060","","","","","","","","","","","","","","","","","","","","","has coordinates","258571","2020-10-23","02:46:47",""
"1559398","7.7819","0.0004","10.0468","0.0005","23.6401","0.0013","90","","90","","90","","1848.26","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.0793","0.0504","","","0.1136","0.1268","","","","","","1.029","","","","has coordinates","258575","2020-10-23","04:59:49",""
"1559399","7.7442","0.0006","10.0968","0.0008","23.675","0.0019","90","","90","","90","","1851.2","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28.74 O5 -","- C21 H28.74 O5 -","- C84 H114.96 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.1886","0.0747","","","0.123","0.1611","","","","","","0.981","","","","has coordinates","258575","2020-10-23","04:59:56",""
"1559400","7.7308","0.0007","10.1237","0.0009","23.694","0.002","90","","90","","90","","1854.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.27 O5 -","- C21 H29.26 O5 -","- C84 H117.04 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.2847","0.0715","","","0.1271","0.1907","","","","","","0.967","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559401","7.6953","0.0009","10.1268","0.0011","23.619","0.003","90","","90","","90","","1840.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.48 O5 -","- C21 H29.48 O5 -","- C84 H117.92 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.118","0.1038","","","0.3033","0.315","","","","","","1.048","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559402","10.1439","0.0014","12.4255","0.0016","30.496","0.005","90","","90","","90","","3843.8","1","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C168 H240 O40 -","8","2","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","1.54178","CuKα","","0.4719","0.098","","","0.2175","0.3915","","","","","","0.828","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559407","6.5499","0.0003","7.6232","0.0003","25.6211","0.0011","90","","96.216","0.001","90","","1271.77","0.09","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-5-nitrobenzaldehyde(2'-hydroxy-5'-methylphenyl)imine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","HB4367","Böhme, Uwe; Fels, Sabine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","IUCrData","2020","5","10","x201384","","10.1107/S241431462001384X","","","0.71073","MoKα","","0.0637","0.0412","","","0.099","0.1141","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","258592","2020-10-24","04:23:18",""
"1559408","25.006","0.002","5.0337","0.0006","8.5646","0.0006","90","","90","","90","","1078.05","0.17","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework","IUCrData","2020","5","10","x201391","","10.1107/S2414314620013917","","","0.71073","MoKα","","0.0743","0.0503","","","0.1204","0.1352","","","","","","0.908","","","","has coordinates,has Fobs","258593","2020-10-24","04:23:41",""
"1559409","14.872","0.0007","7.8414","0.0005","35.3848","0.0017","90","","92.297","0.004","90","","4123.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","4","","Zhang, Wei-Yang; Zhong, Yue; Yu, Yang; Shi, Dan-Feng; Huang, Hui-Yun; Tang, Xiao-Long; Wang, Yong-Heng; Chen, Guo-Dong; Zhang, Hui-Ping; Liu, Chen-Li; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","4-Hydroxy Pyridones from Heterologous Expression and Cultivation of the Native Host.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00675","","x-ray","1.54184","CuKα","","0.1051","0.0667","","","0.158","0.1912","","","","","","0.985","","","","has coordinates","258596","2020-10-24","23:04:25",""
"1559410","7.22366","0.00016","16.5577","0.0004","20.6478","0.0005","90","","90","","90","","2469.63","0.1","180.9","","180.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O7 -","- C28 H27 N3 O7 -","- C112 H108 N12 O28 -","4","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.0402","0.0356","","","0.0914","0.0967","","","","","","1.07","","","","has coordinates","258604","2020-10-27","00:08:57",""
"1559411","10.6126","0.0003","11.4102","0.0004","13.3071","0.0005","95.819","0.003","112.387","0.003","111.273","0.003","1333.67","0.1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N4 O5.5 -","- C32 H26 N4 O5.5 -","- C64 H52 N8 O11 -","2","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.055","0.0493","","","0.1312","0.1381","","","","","","1.034","","","","has coordinates","258605","2020-10-27","00:09:20",""
"1559412","24.2245","0.0015","24.2245","0.0015","12.4413","0.0006","90","","90","","120","","6322.8","0.6","100","0.1","100","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C31 H28 N4 O5 -","- C31 H28 N4 O5 -","- C279 H252 N36 O45 -","9","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","x-ray","1.54184","CuKα","","0.0969","0.0793","","","0.196","0.2143","","","","","","1.069","","","","has coordinates","258606","2020-10-27","00:09:44",""
"1559413","15.4258","0.0005","8.2007","0.0002","20.1539","0.0006","90","","98.481","0.003","90","","2521.64","0.13","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 N4 O6 -","- C29 H28 N4 O6 -","- C116 H112 N16 O24 -","4","2","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.0591","0.0502","","","0.1234","0.1335","","","","","","1.046","","","","has coordinates","258607","2020-10-27","00:10:08",""
"1559414","9.05425","0.00019","14.2458","0.0003","22.2227","0.0004","90","","90","","90","","2866.4","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H29 N5 O5 -","- C37 H29 N5 O5 -","- C148 H116 N20 O20 -","4","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","x-ray","1.54184","CuKα","","0.0583","0.0525","","","0.1375","0.1403","","","","","","1.042","","","","has coordinates","258608","2020-10-27","00:10:35",""
"1559415","14.814","0.003","7.972","0.0016","10.798","0.002","90","0","100.7","0.03","90","0","1253","0.4","25","2","25","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sila-ibuprofen","","","- C12 H18 O2 Si -","- C12 H18 O2 Si -","- C48 H72 O8 Si4 -","4","1","","Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens","Sila-Ibuprofen.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00813","","x-ray","0.3761","synchrotron","","","0.0267","","","0.0189","","","","","","","1.58973","","","","has coordinates,has disorder","258609","2020-10-27","00:11:36",""
"1559416","14.465","0.003","7.815","0.0016","10.435","0.002","90","0","99.66","0.03","90","0","1162.9","0.4","25","2","25","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ibuprofen","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens","Sila-Ibuprofen.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00813","","x-ray","0.3761","synchrotron","","","0.0216","","","0.0144","","","","","","","1.341","","","","has coordinates,has disorder","258610","2020-10-27","00:12:27",""
"1559417","17.7519","0.0011","30.485","0.0011","17.7526","0.0008","90","","91.061","0.001","90","","9605.5","0.8","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Al2.95 Cr0.59 -","- Al2.95407 Cr0.586161 -","- Al514.008 Cr101.992 -","174","21.75","WM4139","Geng, Xu; Wen, Bin; Fan, Changzeng","Crystal structure of Al2.95Cr0.59, a phase closely related to the η-phase in the binary Al‒Cr system","IUCrData","2020","5","10","","","10.1107/S2414314620014121","","","0.71073","MoKα","","0.0851","0.0444","","","0.0712","0.0809","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","258621","2020-10-28","05:34:13",""
"1559418","11.275","0.0003","14.6945","0.0005","24.4728","0.0007","90","","90","","90","","4054.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 Cl2 N4 O6 -","- C43 H50 Cl2 N4 O6 -","- C172 H200 Cl8 N16 O24 -","4","1","","Yi, Wen-Fang; Ding, Xiao; Chen, Yuan-Zhi; Adelakun, Tiwalade A.; Zhang, Yu; Hao, Xiao-Jiang","Tabernaesines A-I, Cytotoxic Aspidosperma-Aspidosperma-Type Bisindole Alkaloids from <i>Tabernaemontana pachysiphon</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00768","","","1.54178","CuKα","","0.0975","0.0968","","","0.2739","0.2747","","","","","","1.092","","","","has coordinates","258638","2020-10-30","00:16:31",""
"1559419","6.8597","0.0004","8.1506","0.0005","9.6464","0.0006","113.283","0.001","103.766","0.001","91.103","0.001","477.29","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C20 H34 O4 -","1","0.5","","Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu","Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules","The Journal of Physical Chemistry B","2020","","","","","10.1021/acs.jpcb.0c07760","","","0.71073","MoKα","","0.0361","0.0339","","","0.0927","0.0946","","","","","","1.018","","","","has coordinates","258642","2020-10-30","00:29:11",""
"1559420","6.8022","0.0005","9.2501","0.0007","15.7435","0.0012","73.83","0.001","83.495","0.001","69.502","0.001","891.03","0.12","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C36 H60 O6 -","2","1","","Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu","Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules","The Journal of Physical Chemistry B","2020","","","","","10.1021/acs.jpcb.0c07760","","","0.71073","MoKα","","0.0448","0.0368","","","0.0979","0.1041","","","","","","1.001","","","","has coordinates","258643","2020-10-30","00:29:39",""
"1559421","14.7759","0.0003","14.7759","0.0003","29.8577","0.0007","90","","90","","90","","6518.7","0.2","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0411","0.038","","","0.0478","0.0484","","","","2.8","2.8","2.69","","","","has coordinates","258644","2020-10-30","05:35:28",""
"1559422","14.7908","0.0003","14.7908","0.0003","29.8489","0.0007","90","","90","","90","","6530","0.2","119.97","0.19","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0417","0.0387","","","0.0939","0.0953","","","","2.59","2.59","2.5","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559423","14.8076","0.0003","14.8076","0.0003","29.8449","0.0008","90","","90","","90","","6543.9","0.3","140","","140","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0416","0.0386","","","0.0925","0.0946","","","","2.49","2.49","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559424","14.8239","0.0004","14.8239","0.0004","29.8395","0.0008","90","","90","","90","","6557.2","0.3","160.01","0.1","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.042","0.0385","","","0.0928","0.0946","","","","2.46","2.46","2.38","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559425","14.8206","0.0007","14.8206","0.0007","29.8617","0.0014","90","","90","","90","","6559.1","0.5","160","","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.995 Ni O2.99 -","- C320 H240 N47.92 Ni16 O47.84 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.058","0.0499","","","0.1137","0.1176","","","","2.58","2.58","2.43","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559426","14.8394","0.0003","14.8394","0.0003","29.832","0.0008","90","","90","","90","","6569.2","0.3","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0438","0.0399","","","0.0957","0.0983","","","","2.45","2.45","2.36","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559427","14.8477","0.0003","14.8477","0.0003","29.8554","0.0005","90","","90","","90","","6581.7","0.2","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0421","0.0374","","","0.0912","0.0937","","","","2.2","2.2","2.11","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559428","14.8584","0.0003","14.8584","0.0003","29.828","0.0008","90","","90","","90","","6585.2","0.3","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.999 Ni O2.998 -","- C320 H240 N47.984 Ni16 O47.968 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0424","0.0389","","","0.0943","0.0965","","","","2.47","2.47","2.39","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559429","14.8663","0.0003","14.8663","0.0003","29.841","0.0005","90","","90","","90","","6595.1","0.2","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0453","0.0415","","","0.1","0.102","","","","2.56","2.56","2.46","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559430","14.8778","0.0003","14.8778","0.0003","29.8291","0.0006","90","","90","","90","","6602.6","0.2","220","","220","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0395","0.0369","","","0.0906","0.0919","","","","2.5","2.5","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559431","14.893","0.0006","14.893","0.0006","29.829","0.0013","90","","90","","90","","6616.1","0.5","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0992","0.0934","","","0.2251","0.2272","","","","4.76","4.76","4.4","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559432","14.8976","0.0003","14.8976","0.0003","29.8244","0.0006","90","","90","","90","","6619.2","0.2","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0402","0.0375","","","0.0464","0.0472","","","","2.48","2.48","2.39","","","","has coordinates","258644","2020-10-30","05:35:31",""
"1559433","5.7834","0.0002","9.614","0.0004","12.3417","0.0004","90","","102.028","0.002","90","","671.15","0.04","90","0.1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl3 N2 O S -","- C9 H15 Cl3 N2 O S -","- C18 H30 Cl6 N4 O2 S2 -","2","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","","0.71073","MoKα","","0.0196","0.019","","","0.0475","0.0479","","","","","","1.035","","","","has coordinates","258657","2020-10-31","00:16:13",""
"1559434","5.8041","0.0009","9.6514","0.0014","12.3924","0.0018","90","","102.123","0.002","90","","678.71","0.17","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl3 N2 O S -","- C9 H15 Cl3 N2 O S -","- C18 H30 Cl6 N4 O2 S2 -","2","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","","0.71073","MoKα","","0.0201","0.0191","","","0.0465","0.0471","","","","","","1.037","","","","has coordinates","258658","2020-10-31","00:16:31",""
"1559435","9.6181","0.0007","11.8325","0.001","21.1656","0.0016","90","","90","","90","","2408.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl6 N2 O4 -","- C18 H24 Cl6 N2 O4 -","- C72 H96 Cl24 N8 O16 -","4","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","x-ray","0.71073","MoKα","","0.0446","0.0371","","","0.0824","0.0865","","","","","","1.039","","","","has coordinates","258659","2020-10-31","00:16:55",""
"1559436","5.8147","0.0002","10.0058","0.0004","11.3922","0.0005","92.978","0.002","92.413","0.002","91.372","0.002","661.1","0.05","150","2","150","","","","","","","","","3","P -1","-P 1","2","","b-model-Ph","","- C17 H18 O -","- C17 H18 O -","- C34 H36 O2 -","2","1","","Du, Cheng; Chu, Hongling; Xiao, Zefan; Zhong, Liu; Zhou, Yusheng; Qin, Wei; Liang, Guodong; Gao, Haiyang","Alternating Vinylarene‒Carbon Monoxide Copolymers: Simple and Efficient Nonconjugated Luminescent Macromolecules","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01792","","","1.34138","GaKα","","0.0605","0.0516","","","0.1299","0.1359","","","","","","1.07","","","","has coordinates","258661","2020-10-31","00:46:59",""
"1559437","9.9429","0.0005","9.3845","0.0005","20.7845","0.0011","90","","91.55","0.002","90","","1938.67","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","HB4364","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Tiekink, Edward R. T.","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","IUCrData","2020","5","10","x201228","","10.1107/S2414314620012286","","","0.71073","MoKα","","0.0785","0.049","","","0.1213","0.1403","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","258664","2020-10-31","05:46:23",""
"1559438","8.8051","0.0004","14.4941","0.0007","5.2206","0.0002","90","","90","","90","","666.26","0.05","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N-ethyl-N-nitroglycine","N-ethyl-N-nitroglycine","","- C4 H6 N2 O6 -","- C4 H6 N2 O6 -","- C16 H24 N8 O24 -","4","0.5","","Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M.","Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements","Energy & Fuels","2020","","","","","10.1021/acs.energyfuels.0c02910","","x-ray","0.71073","MoKα","","0.0366","0.0297","","","0.0744","0.079","","","","","","1.076","","","","has coordinates","258666","2020-10-31","23:31:06",""
"1559439","5.8695","0.0007","17.401","0.002","18.116","0.002","88.36","0.009","86.992","0.01","84.906","0.01","1839.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","nitraminodiacetic acid bis(2,2,2-trinitroethylester)","nitraminodiacetic acid bis(2,2,2-trinitroethylester)","","- C8 H8 N8 O18 -","- C8 H8 N8 O18 -","- C32 H32 N32 O72 -","4","2","","Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M.","Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements","Energy & Fuels","2020","","","","","10.1021/acs.energyfuels.0c02910","","x-ray","0.71073","MoKα","","0.2014","0.0715","","","0.0948","0.1466","","","","","","0.926","","","","has coordinates","258667","2020-10-31","23:35:47",""
"1559451","18.201","0.003","18.852","0.003","20.713","0.003","90","","114.279","0.005","90","","6478.6","1.8","173","2","173","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C256 H166 B2 Cl24 F45 N4 O8 Pd2 -","2","1","","Zhang, Yuxing; Jian, Zhongbao","Comprehensive Picture of Functionalized Vinyl Monomers in Chain-Walking Polymerization","Macromolecules","2020","53","20","8858","8866","10.1021/acs.macromol.0c01953","","","1.54178","CuKα","","0.0618","0.0606","","","0.1689","0.1717","","","","","","1.026","","","","has coordinates,has disorder","258692","2020-11-04","01:01:25",""
"1559467","11.549","0.006","9.849","0.005","14.25","0.008","90","","91.898","0.007","90","","1620","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 N2 O9 Ru2 S -","- C24 H43 N2 O9 Ru2 S -","- C48 H86 N4 O18 Ru4 S2 -","2","0.5","","HANDA, Makoto; ISHIDA, Hideaki; YOSHIOKA, Daisuke; KUGITA, Fumiaki; HIROMITSU, Ichiro; KASUGA, Kuninobu; MIKURIYA, Masahiro","Crystal Structure of a Lantern-type Diruthenium(II,III) Complex with Axial Thiocyanato and DMF Ligands, [Ru<sub>2</sub>(O<sub>2</sub>CCMe<sub>3</sub>)<sub>4</sub>(NCS)(DMF)]","X-ray Structure Analysis Online","2020","36","0","39","41","10.2116/xraystruct.36.39","","","0.71073","MoKα","","0.059","0.0389","","","0.0857","0.0916","","","","","","1.081","","","","has coordinates,has disorder","258998","2020-11-06","13:29:23",""
"1559468","9.0997","0.0001","14.0995","0.0002","14.9908","0.0002","90","","90","","90","","1923.34","0.04","93.15","","93.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[3-(1,4,7,10-tetraazacyclododecam-1-yl)propan-1-amine]zinc(II)","","- C11 H27 Cl2 N5 O8 Zn -","- C11 H27 Cl2 N5 O8 Zn -","- C44 H108 Cl8 N20 O32 Zn4 -","4","1","","ICHIMARU, Yoshimi; IMAI, Masanori; FUJIOKA, Haruto; HIEDA, Yuhzo; KOIKE, Tohru; KUROSAKI, Hiromasa; KATO, Koichi","Crystal Structure of [3-(1,4,7,10-Tetraazacyclododecan-1-yl)propan-1-amine]zinc(II) Bis(perchlorate), [Zn<sup>II</sup>L](ClO<sub>4</sub>)<sub>2</sub>","X-ray Structure Analysis Online","2020","36","0","43","44","10.2116/xraystruct.36.43","","x-ray","1.54184","CuKa","","0.0218","0.0214","","","0.0535","0.0538","","","","","","1.06","","","","has coordinates","258999","2020-11-06","13:29:47",""
"1559469","15.072","0.002","7.9873","0.0009","6.841","0.0009","90","","90","","90","","823.55","0.18","18","1","18","1","","","","","","","","4","P b c n","-P 2n 2ab","60","bis(dimethylamino)squaraine","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo","Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data","Crystals","2020","10","10","894","","10.3390/cryst10100894","","","0.71073","MoKα","","0.0417","0.0314","","","0.0896","0.0989","","","","","","1.113","","","","has coordinates","259000","2020-11-06","15:09:55",""
"1559470","7.959","0.001","7.154","0.001","17.799","0.002","90","","91.68","0.01","90","","1013","0.2","20","1","20","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(dimethylamino)squaraine dihydrate","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C32 H64 N8 O16 -","4","1","","Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo","Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data","Crystals","2020","10","10","894","","10.3390/cryst10100894","","","0.71073","MoKα","","0.0383","0.0305","","","0.0834","0.0867","","","","","","1.052","","","","has coordinates","259000","2020-11-06","15:09:56",""
"1559471","15.4996","0.0006","23.6435","0.0007","9.0231","0.0002","90","","90","","90","","3306.65","0.18","100","2","100","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Bi6 Br7 -","- Bi6 Br7 -","- Bi48 Br56 -","8","1","","Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N.","Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective","Crystals","2020","10","10","940","","10.3390/cryst10100940","","","0.71073","MoKα","","0.0676","0.0413","","","0.0764","0.0837","","","","","","0.883","","","","has coordinates","259001","2020-11-06","15:10:26",""
"1559472","12.0654","0.0005","11.0666","0.0005","23.955","0.0011","90","","101.376","0.0016","90","","3135.7","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C152 H128 O48 -","8","2","","Shin, Soon Young; Lee, Young Han; Lim, Yoongho; Lee, Ha Jin; Lee, Ji Hye; Yoo, Miri; Ahn, Seunghyun; Koh, Dongsoo","Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one","Crystals","2020","10","10","911","","10.3390/cryst10100911","","","0.71073","MoKα","","0.0666","0.043","","","0.1004","0.1179","","","","","","1.063","","","","has coordinates,has disorder","259002","2020-11-06","15:10:52",""
"1559473","6.7784","0.0002","6.7175","0.0002","8.6991","0.0003","90","","90","","90","","396.1","0.02","248","","248","","","","","","","","","4","P n c 2","P 2 -2bc","30","Diammine_Barium_Borohydride","","","- B2 Ba H14 N2 -","- B2 Ba H14 N2 -","- B4 Ba2 H28 N4 -","2","0.5","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","2.028","2279.3","","","","","","","has coordinates","259003","2020-11-06","16:21:41",""
"1559474","5.08626","0.00008","9.37609","0.00016","12.9631","0.0002","90","","90","","90","","618.2","0.017","368","","368","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Monoammine_barium_borohydride","","","- B2 Ba H11 N -","- B2 Ba H11 N -","- B8 Ba4 H44 N4 -","4","1","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","3.0385","1528.14","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559475","15.8302","0.0005","10.138","0.0003","14.2916","0.0007","90","","114.267","0.001","90","","2090.95","0.14","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Hajib, Sara; Boukhssas, Salaheddine; Aouine, Younas; Alami, Anouar; Faraj, Hassane; Zouihri, Hafid; El Bali, Brahim; Lachkar, Mohammed","4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline","Molbank","2020","2020","4","M1163","","10.3390/M1163","","","0.71073","MoKα","","0.0529","0.0439","","","0.1213","0.1289","","","","","","1.065","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1559476","11.1004","0.0009","11.3611","0.0008","13.2166","0.0009","65.35","0.003","89.871","0.004","81.713","0.003","1495.97","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","2","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0926","0.0576","","","0.1418","0.165","","","","","","1.04","","","","has coordinates,has disorder","259006","2020-11-06","21:31:28",""
"1559477","11.2314","0.0003","11.6094","0.0003","12.1689","0.0003","85.027","0.002","73.439","0.002","78.714","0.002","1490.66","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[rel-(1S,4R,8S)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide 1-vinyl-2-pyrrolidone solvate","","- C30 H37 N3 O9 -","- C30 H37 N3 O9 -","- C60 H74 N6 O18 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0715","0.0482","","","0.1219","0.1385","","","","","","1.017","","","","has coordinates","259007","2020-11-06","21:31:51",""
"1559478","12.1827","0.0003","14.8081","0.0004","18.6214","0.0004","90","","90","","90","","3359.35","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","rac-Methyl 5-(Benzoylamino)-4-ethoxy-2-methylcyclohexa-1,5-diene-1-carboxylate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.094","0.0586","","","0.1431","0.1709","","","","","","1.046","","","","has coordinates","259008","2020-11-06","21:32:15",""
"1559479","9.2483","0.0003","11.4819","0.0003","12.1508","0.0003","112.763","0.002","93.341","0.002","106.199","0.002","1122.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C52 H48 N4 O10 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0768","0.0535","","","0.1356","0.1547","","","","","","1.025","","","","has coordinates","259009","2020-11-06","21:32:36",""
"1559480","25.6982","0.0006","13.3577","0.0002","18.3592","0.0004","90","","127.29","0.001","90","","5013.85","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-[rel-(1S,4R,8S)-6-Benzoyl-8-(cyclohexyloxy)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]benzamide","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C224 H232 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0874","0.0551","","","0.1413","0.1683","","","","","","1.023","","","","has coordinates","259010","2020-11-06","21:32:58",""
"1559481","13.6258","0.0002","15.0585","0.0003","17.0887","0.0003","90","","90","","90","","3506.33","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N-[rel-(1S,4R,8S)-6-Acetyl-8-ethoxy-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-4-yl]benzamide","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0595","0.0442","","","0.1092","0.1206","","","","","","1.05","","","","has coordinates","259011","2020-11-06","21:33:20",""
"1559482","10.1996","0.0004","19.644","0.0011","12.5325","0.0006","90","","113.734","0.003","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[rel-(1S,4R,8R)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C96 H112 N8 O32 -","4","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.1184","0.0573","","","0.1252","0.1572","","","","","","1.038","","","","has coordinates","259012","2020-11-06","21:33:41",""
"1559483","13.2171","0.0002","14.2221","0.0003","17.1809","0.0004","90","","90","","90","","3229.58","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0618","0.0471","","","0.1293","0.1429","","","","","","1.044","","","","has coordinates","259013","2020-11-06","21:34:03",""
"1559484","6.1056","0.0003","10.8114","0.0007","15.5867","0.0009","90","","90","","90","","1028.88","0.1","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","","- C8 H16 N2 Si -","- C8 H16 N2 Si -","- C32 H64 N8 Si4 -","4","1","SJ4215","Böhme, Uwe; Bitto, Florian","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","IUCrData","2020","5","11","x201444","","10.1107/S2414314620014443","","","0.71073","MoKα","","0.0313","0.0296","","","0.0786","0.0802","","","","","","1.091","","","","has coordinates,has Fobs","259032","2020-11-07","05:33:31",""
"1559485","8.8942","0.0001","5.654","0.0001","10.1928","0.0002","90","","115.1","0.001","90","","464.171","0.014","","","298","","","","100","","","","","9","P 1 21/m 1","-P 2yb","11","(Ca1.73Sr0.22)(Al1.99Mn0.68Fe0.37Mg0.01)Si2.99O12(OH)","","Sr-rich piemontite","- Al1.99 Ca1.73 Fe0.37 H Mg0.01 Mn0.68 O13 Si2.99 Sr0.22 -","- Al1.949 Ca1.711 H Mn1.051 O13 Si3 Sr0.289 -","- Al3.898 Ca3.422 H2 Mn2.102 O26 Si6 Sr0.578 -","2","0.5","","Nagashima, M.; Sano, Y.; Kochi, T.; Akasaka, M.; Sano-Furukawa, A.","Crystal chemistry of Sr-rich piemontite from manganese ore deposit of the Tone mine, Nishisonogi Peninsula, Nagasaki, southwest Japan","Journal of Mineralogical and Petrological Sciences","2020","115","","391","406","10.2465/jmps.191122","","","","","","","","","","","","","","","","","","","","","has coordinates","259041","2020-11-07","23:28:23",""
"1559486","8.0735","0.0002","8.0735","0.0002","8.0735","0.0002","90","","90","","90","","526.24","0.02","","","298","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","spinel (Ni0.15Al0.85)(Ni0.425Al0.475Cr0.1)2O4","","","- Al1.8 Cr0.2 Ni O4 -","- Al1.8 Cr0.2 Ni O4 -","- Al14.4 Cr1.6 Ni8 O32 -","8","0.0416667","","Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M.","Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions","Journal of the Ceramic Society of Japan","2020","128","","906","911","10.2109/jcersj2.20101","","","","","","","","","","","","","","","","","","","","","has coordinates","259046","2020-11-09","00:56:35",""
"1559487","8.0722","0.0001","8.0722","0.0001","8.0722","0.0001","90","","90","","90","","525.988","0.011","","","298","","","","100","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","spinel (Cu0.05Ni0.11Al0.84)(Ni0.42Al0.48Cr0.1)2O4","","","- Al1.8 Cr0.2 Cu0.05 Ni0.95 O4 -","- Al1.8 Cr0.2 Cu0.05 Ni0.95 O4 -","- Al14.4 Cr1.6 Cu0.4 Ni7.6 O32 -","8","0.0416667","","Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M.","Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions","Journal of the Ceramic Society of Japan","2020","128","","906","911","10.2109/jcersj2.20101","","","","","","","","","","","","","","","","","","","","","has coordinates","259047","2020-11-09","00:57:50",""
"1559496","14.8274","0.0004","8.1697","0.0001","15.5656","0.0004","90","","114.139","0.002","90","","1720.67","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Kwesiga, George; Kelling, Alexandra; Kersting, Sebastian; Sperlich, Eric; von Nickisch-Rosenegk, Markus; Schmidt, Bernd","Total Syntheses of Prenylated Isoflavones from <i>Erythrina sacleuxii</i> and Their Antibacterial Activity: 5-Deoxy-3'-prenylbiochanin A and Erysubin F.","Journal of natural products","2020","83","11","3445","3453","10.1021/acs.jnatprod.0c00932","","","0.71073","MoKα","","0.043","0.0397","","","0.112","0.1168","","","","","","1.04","","","","has coordinates","259526","2020-12-04","02:25:59",""
"1559497","13.5433","0.0006","14.4891","0.0007","20.497","0.0009","90","","105.986","0.002","90","","3866.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H44 B F2 N3 -","- C47 H44 B F2 N3 -","- C188 H176 B4 F8 N12 -","4","1","","Gangada, Suneel; Ramnagar, Ramya Athira; Sangolkar, Akanksha Ashok; Pawar, Ravinder; Nanubolu, Jagadeesh Babu; Roy, Partha; Giribabu, Lingamallu; Chitta, Raghu","Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in <i>N</i>,<i>N</i>-Bis(4'-<i>tert</i>-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes.","The journal of physical chemistry. A","2020","124","47","9738","9750","10.1021/acs.jpca.0c04789","","","0.71073","MoKα","","0.1014","0.062","","","0.1716","0.1945","","","","","","1.196","","","","has coordinates,has disorder","259529","2020-12-04","02:29:35",""
"1559498","10.4092","0.0003","3.8459","0.0001","13.332","0.0004","90","","106.08","0.001","90","","512.84","0.03","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 Cl4 S2 -","- C8 H2 Cl4 S2 -","- C16 H4 Cl8 S4 -","2","0.5","","Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou","Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers","Macromolecules","2020","53","22","10147","10154","10.1021/acs.macromol.0c02206","","","1.34139","GaKα","","0.0277","0.0275","","","0.0749","0.0752","","","","","","1.108","","","","has coordinates","259532","2020-12-04","02:30:48",""
"1559499","4.5288","0.0016","9.877","0.003","13.772","0.004","90","","95.219","0.013","90","","613.5","0.3","170","2","170.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cl4 S2 -","- C10 H4 Cl4 S2 -","- C20 H8 Cl8 S4 -","2","0.5","","Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou","Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers","Macromolecules","2020","53","22","10147","10154","10.1021/acs.macromol.0c02206","","","1.34139","GaKα","","0.0438","0.0397","","","0.1023","0.1184","","","","","","1.14","","","","has coordinates","259532","2020-12-04","02:30:49",""
"1559506","6.784","0.003","23.336","0.007","29.173","0.011","90","","90","","90","","4618","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 O5.5 -","- C26 H34 O5.5 -","- C208 H272 O44 -","8","2","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.1765","0.0919","","","0.2369","0.3035","","","","","","1.007","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559507","28.0904","0.0007","6.9424","0.0002","11.1265","0.0003","90","","90","","90","","2169.83","0.1","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C104 H128 O20 -","4","1","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.038","0.0354","","","0.0922","0.0944","","","","","","1.04","","","","has coordinates","259527","2020-12-04","02:26:11",""
"1559509","6.32712","0.00004","17.39284","0.00013","21.08445","0.00016","90","","90","","90","","2320.27","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Guo, Yong-Wei; Liu, Xiao-Jing; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Hong, Ming-Jun; Yu, Jian-Chen; Lan, Wen-Jian","l-Tryptophan Induces a Marine-Derived <i>Fusarium</i> sp. to Produce Indole Alkaloids with Activity against the Zika Virus.","Journal of natural products","2020","83","11","3372","3380","10.1021/acs.jnatprod.0c00717","","x-ray","1.54184","CuKα","","0.0308","0.0293","","","0.0752","0.0773","","","","","","1.053","","","","has coordinates","259528","2020-12-04","02:26:17",""
"1559518","8.7029","0.0012","9.346","0.0013","15.91","0.002","91.563","0.006","100.298","0.007","107.29","0.008","1211.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N8 O9 -","- C22 H26 N8 O9 -","- C44 H52 N16 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.0587","0.0464","","","0.1089","0.1153","","","","","","1.042","","","","has coordinates","259155","2020-11-17","00:44:49",""
"1559519","8.716","0.003","11.724","0.004","15.686","0.005","76.374","0.005","85.442","0.006","69.135","0.005","1455.6","0.8","263","2","263","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N8 O9 -","- C25 H30 N8 O9 -","- C50 H60 N16 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.1741","0.0731","","","0.1606","0.1947","","","","","","1.029","","","","has coordinates","259155","2020-11-17","00:44:58",""
"1559520","8.4865","0.0018","11.949","0.003","15.84","0.003","101.872","0.007","94.843","0.007","110.113","0.008","1454.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N9 O9 -","- C25 H31 N9 O9 -","- C50 H62 N18 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.2297","0.0841","","","0.1649","0.2207","","","","","","1.003","","","","has coordinates","259155","2020-11-17","00:44:58",""
"1559521","9.0795","0.0016","11.776","0.002","15.533","0.003","76.462","0.005","85.575","0.006","67.518","0.005","1491.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 N9 O9 -","- C26 H33 N9 O9 -","- C52 H66 N18 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.103","0.0653","","","0.1668","0.19","","","","","","1.029","","","","has coordinates","259155","2020-11-17","00:44:58",""
"1559522","8.792","0.002","11.802","0.003","15.632","0.004","99.371","0.007","94.665","0.007","110.431","0.008","1482.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N8 O9 S -","- C24 H30 N8 O9 S -","- C48 H60 N16 O18 S2 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.1122","0.0828","","","0.2205","0.2444","","","","","","1.034","","","","has coordinates","259155","2020-11-17","00:44:59",""
"1559523","8.8415","0.0018","11.5","0.002","16.199","0.003","104.54","0.007","90.368","0.006","111.782","0.008","1471.4","0.5","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N10 O8 -","- C26 H27 N10 O8 -","- C52 H54 N20 O16 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.1229","0.0751","","","0.1876","0.2153","","","","","","1.029","","","","has coordinates","259155","2020-11-17","00:44:59",""
"1559524","11.713","0.003","15.643","0.003","16.597","0.004","76.759","0.005","73.876","0.005","80.486","0.006","2826.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H29.5 N8.5 O10 -","- C24.5 H29.5 N8.5 O10 -","- C98 H118 N34 O40 -","4","2","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.189","0.0744","","","0.1426","0.1843","","","","","","0.995","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1559525","10.681","0.005","12.768","0.006","13.575","0.006","62.03","0.019","71.22","0.02","74.36","0.03","1532.3","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N9 O10 -","- C28 H34 N9 O10 -","- C56 H68 N18 O20 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.0924","0.0674","","","0.1783","0.2034","","","","","","1.09","","","","has coordinates","259155","2020-11-17","00:45:00",""
"1559529","16.2976","0.0008","6.1294","0.0002","12.2221","0.0006","90","","99.07","0.004","90","","1205.65","0.09","119.98","0.1","119.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Naphthalen-2-yl)methyl]isothiouronium bromide","","- C12 H13 Br N2 S -","- C12 H13 Br N2 S -","- C48 H52 Br4 N8 S4 -","4","1","SJ4217","Eigner, Václav","Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide","IUCrData","2020","5","11","x201511","","10.1107/S2414314620015114","","x-ray","1.54184","CuKα","","0.0424","0.0304","","","0.0757","0.0806","","","","1.26","1.26","1.18","","","","has coordinates,has Fobs","259164","2020-11-18","05:22:42",""
"1559534","6.2593","0.0014","11.449","0.003","12.078","0.003","90","","98.21","0.005","90","","856.7","0.4","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O -","- C20 H30 O -","- C40 H60 O2 -","2","1","","Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales","Phytotoxic Neocassane Diterpenes from <i>Eragrostis plana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00324","","","0.71073","MoKα","","0.0992","0.0839","","","0.2781","0.2904","","","","","","1.189","","","","has coordinates","259181","2020-11-19","00:12:37",""
"1559535","6.4025","0.0004","11.0913","0.0007","23.6652","0.0014","90","","90","","90","","1680.51","0.18","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales","Phytotoxic Neocassane Diterpenes from <i>Eragrostis plana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00324","","","0.71073","MoKα","","0.0548","0.0411","","","0.0941","0.1001","","","","","","1.062","","","","has coordinates","259182","2020-11-19","00:13:00",""
"1559541","25.348","0.002","7.3059","0.0005","19.347","0.001","90","","94.19","0.006","90","","3573.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","TK4065","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","IUCrData","2020","5","11","x201523","","10.1107/S2414314620015230","","","0.71073","MoKα","","0.0804","0.0469","","","0.0987","0.1127","","","","","","1.024","","","","has coordinates,has Fobs","259214","2020-11-21","05:37:01",""
"1559548","16.2421","0.0011","5.0967","0.0004","30.102","0.002","90","","90","","90","","2491.9","0.3","295","2","295.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br F N O -","- C13 H15 Br F N O -","- C104 H120 Br8 F8 N8 O8 -","8","2","","Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T.","Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00444","","x-ray","1.54178","CuKα","","0.0764","0.0758","","","0.1923","0.1928","","","","","","1.102","","","","has coordinates","259240","2020-11-25","00:50:03",""
"1559549","8.4257","0.0011","9.0522","0.0009","22.237","0.002","90","","98.303","0.012","90","","1678.3","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","BT4102","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","IUCrData","2020","5","11","x201464","","10.1107/S2414314620014649","","x-ray","0.71073","MoKα","","0.1286","0.0694","","","0.1261","0.1654","","","","","","1.042","","","","has coordinates,has Fobs","259246","2020-11-25","05:35:58",""
"1559553","12.0049","0.0008","17.7292","0.0012","35.641","0.002","90","","90","","90","","7585.7","0.8","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C39 H42 Br Cl N2 O6 S -","- C39 H42 Br Cl N2 O6 S -","- C312 H336 Br8 Cl8 N16 O48 S8 -","8","1","","St-Pierre, Gabrielle; Cherney, Alan H.; Chen, Wencan; Dong, Xiaofei; Dornan, Peter K.; Griffin, Daniel J.; Houk, K. N.; Lin, Janice B.; Osgood, Stephen; Silva Elipe, Maria V.; Timmons, Heath C.; Xie, Yong; Tedrow, Jason S.; Thiel, Oliver R.; Smith, Austin G.","Accelerated Development of a Scalable Ring-Closing Metathesis to Manufacture AMG 176 Using a Combined High-Throughput Experimentation and Computational Modeling Approach","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00416","","","0.71073","MoKα","","0.0778","0.0451","","","0.0827","0.0944","","","","","","1.005","","","","has coordinates","259254","2020-11-26","00:48:38",""
"1559576","7.86","0.003","10.439","0.004","11.713","0.005","76.236","0.014","73.653","0.013","68.852","0.012","850.1","0.6","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium chloride","<i>N</i>-[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-aminium chloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ4218","Sammeta, Vamshikrishna Reddy; Rasapalli, Sivappa; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The hydrochloride salt of 4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (4-HO-DPT)","IUCrData","2020","5","11","x201546","","10.1107/S2414314620015461","","","0.71073","MoKα","","0.0617","0.0363","","","0.0955","0.1029","","","","","","1.029","","","","has coordinates,has Fobs","259273","2020-11-28","05:32:07",""
"1559577","10.5714","0.0003","18.1828","0.0006","20.589","0.0009","72.838","0.003","89.216","0.003","74.717","0.003","3638.8","0.2","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Au B N2 -","- C41 H50 Au B N2 -","- C164 H200 Au4 B4 N8 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0547","0.0431","","","0.123","0.1313","","","","","","1.054","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559578","11.951","0.0003","12.9306","0.0003","18.7852","0.0006","96.941","0.002","104.913","0.003","104.703","0.002","2658.95","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 Au B N4 -","- C60 H70 Au B N4 -","- C120 H140 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0801","0.045","","","0.0948","0.1037","","","","","","0.988","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559579","14.021","0.0002","17.7771","0.0003","17.7051","0.0003","90","","97.0981","0.0015","90","","4379.22","0.12","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H60 Au B N4 -","- C48 H60 Au B N4 -","- C192 H240 Au4 B4 N16 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0219","0.0195","","","0.042","0.0426","","","","","","1.043","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559580","12.3065","0.0001","17.99","0.0002","20.3257","0.0002","83.34","0.001","79.742","0.001","83.084","0.001","4375.21","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H59 Au B N3 -","- C50 H59 Au B N3 -","- C200 H236 Au4 B4 N12 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.052","0.0317","","","0.0559","0.0595","","","","","","1.001","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559581","11.5634","0.0003","12.8016","0.0004","18.2287","0.0005","86.266","0.002","72.324","0.002","83.521","0.002","2553.22","0.13","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H68 Au B N4 -","- C59 H68 Au B N4 -","- C118 H136 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0382","0.0287","","","0.0561","0.058","","","","","","1.022","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559582","10.7485","0.0002","22.6769","0.0004","19.5737","0.0004","90","","104.387","0.0019","90","","4621.34","0.16","93","2","93","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C204 H244 Au4 B4 Cl4 F4 N8 O4 -","2","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0345","0.0267","","","0.0557","0.0577","","","","","","1.051","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559583","12.3058","0.0004","26.0004","0.0006","16.284","0.0003","90","","100.267","0.002","90","","5126.7","0.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Au B N4 -","- C54 H72 Au B N4 -","- C216 H288 Au4 B4 N16 -","4","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0507","0.0411","","","0.0857","0.0887","","","","","","1.053","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559584","10.7603","0.0004","11.6039","0.0004","19.3138","0.0006","72.527","0.003","85.454","0.003","66.378","0.003","2105.21","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H55 Au B N3 -","- C46 H55 Au B N3 -","- C92 H110 Au2 B2 N6 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.051","0.0329","","","0.0614","0.0651","","","","","","0.968","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559585","11.8822","0.0004","12.58","0.0002","17.5818","0.0005","99.538","0.002","106.748","0.003","103.924","0.002","2363.27","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Au B N2 O -","- C54 H62 Au B N2 O -","- C108 H124 Au2 B2 N4 O2 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0412","0.0336","","","0.0827","0.0857","","","","","","1.057","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559586","13.6039","0.0002","23.0648","0.0003","18.7378","0.0003","90","","105.489","0.002","90","","5665.85","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H78 Au B N4 O -","- C63 H78 Au B N4 O -","- C252 H312 Au4 B4 N16 O4 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0543","0.0344","","","0.0631","0.0675","","","","","","1.014","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559587","18.4407","0.0004","23.6412","0.0005","21.238","0.0005","90","","90","","90","","9258.9","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H60 Au B N2 O -","- C54 H60 Au B N2 O -","- C432 H480 Au8 B8 N16 O8 -","8","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0482","0.0303","","","0.053","0.057","","","","","","1.021","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559588","10.4618","0.0002","11.5106","0.0003","10.467","0.0002","90","","95.605","0.002","90","","1254.43","0.05","290","","290","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0324","0.0247","","","0.0543","0.0571","","","","","","1.026","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559589","12.0682","0.0004","16.9687","0.0004","11.4632","0.0003","90","","94.888","0.004","90","","2338.92","0.11","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","DJV-444-desolv","- C16 H8 Au2 Fe N6 -","- C16 H8 Au2 Fe N6 -","- C64 H32 Au8 Fe4 N24 -","4","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","powder diffraction","","1.5406","CuKα~1~","","1.72335","","","","","","","","2.06458","","","","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559590","10.2342","0.0007","11.269","0.0008","10.2384","0.0007","90","0.006","92.665","0.005","90","0.006","1179.51","0.14","206","","206","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.1618","0.0416","","","0.0487","0.0706","","","","1.55","1.55","1.18","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559591","10.1143","0.0003","11.1281","0.0003","10.1146","0.0004","90","","91.745","0.003","90","","1137.9","0.06","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0587","0.037","","","0.0808","0.0913","","","","","","1.057","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559592","10.3534","0.0003","11.3911","0.0003","10.3639","0.0003","90","","93.954","0.003","90","","1219.37","0.06","250","","250","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0441","0.0287","","","0.0642","0.0707","","","","","","1.061","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559593","14.1982","0.0002","22.6765","0.0003","14.9567","0.0002","90","","90.0258","0.0013","90","","4815.54","0.11","228","","228","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C176 H104 Au16 Fe8 N56 O16 -","8","1","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.048","0.03","","","0.0691","0.0779","","","","","","1.033","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559594","10.115","0.0002","11.1318","0.0002","10.1239","0.0002","90","","91.852","0.002","90","","1139.34","0.04","140","","140","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0349","0.0272","","","0.0625","0.066","","","","","","1.072","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559595","10.4523","0.0005","11.4885","0.0004","10.5004","0.0004","90","","93.379","0.004","90","","1258.71","0.09","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0548","0.0359","","","0.0687","0.0775","","","","","","1.074","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559596","12.6609","0.0005","23.0055","0.0009","12.7568","0.0005","90","","109.44","0.001","90","","3503.8","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H126 Ce2 O6 Si6 -","- C54 H126 Ce2 O6 Si6 -","- C108 H252 Ce4 O12 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0329","0.0256","","","0.0595","0.0631","","","","","","1.039","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559597","10.868","0.0016","16.755","0.002","20.149","0.003","90","","90.235","0.004","90","","3669","0.9","150","","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C84 H216 Ce4 Cl8 N12 O4 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0773","0.0488","","","0.0856","0.0949","","","","","","1.034","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559598","11.4339","0.0009","12.0881","0.001","17.5236","0.0014","83.3194","0.0013","71.7094","0.0012","63.9637","0.0011","2065.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0462","0.0316","","","0.0631","0.0677","","","","","","1.004","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559599","11.859","0.0014","14.7713","0.0018","19.126","0.002","79.676","0.002","76.075","0.002","81.398","0.002","3179.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 Ce2 N8 O9 -","- C68 H84 Ce2 N8 O9 -","- C136 H168 Ce4 N16 O18 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0824","0.0442","","","0.0883","0.1024","","","","","","0.996","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559600","11.7195","0.0004","18.0849","0.0007","21.3488","0.0008","90","","95.3481","0.0015","90","","4505.1","0.3","100.15","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H142 Ce2 N12 O4 -","- C84 H142 Ce2 N12 O4 -","- C168 H284 Ce4 N24 O8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0652","0.0417","","","0.0687","0.0749","","","","","","1.071","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559601","18.228","0.005","17.588","0.004","28.531","0.007","90","","102.369","0.004","90","","8935","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C280 H568 Ce8 Cl8 N8 O40 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0544","0.0459","","","0.12","0.1268","","","","","","1.096","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559602","11.29","0.04","22.03","0.07","17.25","0.07","90","","96.25","0.011","90","","4265","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H140 Ce2 O12 Si4 -","- C72 H140 Ce2 O12 Si4 -","- C144 H280 Ce4 O24 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0723","0.0502","","","0.0878","0.096","","","","","","1.1","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559603","24.8116","0.0011","21.794","0.001","17.4764","0.0008","90","","116.659","0.001","90","","8445.6","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C176 H432 Ce8 Cl8 N32 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0382","0.0289","","","0.0647","0.0688","","","","","","1.037","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559604","20.8578","0.001","24.2951","0.001","11.7354","0.0005","90","","94.4068","0.0011","90","","5929.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H196 Ce2 O28 Si4 -","- C100 H196 Ce2 O28 Si4 -","- C200 H392 Ce4 O56 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1063","0.0539","","","0.0834","0.1005","","","","","","1.064","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559605","24.645","0.006","22.211","0.006","17.381","0.004","90","","116.237","0.003","90","","8534","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H120 Ce2 N6 O2 Si12 -","- C46 H120 Ce2 N6 O2 Si12 -","- C184 H480 Ce8 N24 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1174","0.0625","","","0.1288","0.1511","","","","","","1.09","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559606","12.7863","0.0016","18.594","0.002","18.631","0.002","102.525","0.0019","90.9634","0.0018","93.3308","0.0018","4314.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H103 Ce3 N18 O5 -","- C91 H103 Ce3 N18 O5 -","- C182 H206 Ce6 N36 O10 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0743","0.041","","","0.0671","0.0759","","","","","","0.968","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559607","11.2124","0.001","12.5614","0.0011","34.289","0.003","90","","97.212","0.002","90","","4791.2","0.7","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H158 Ce2 Cl4 O12 Si6 -","- C76 H158 Ce2 Cl4 O12 Si6 -","- C152 H316 Ce4 Cl8 O24 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0708","0.0801","","","","","","1.015","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559608","11.655","0.002","12.402","0.002","17.499","0.003","92.596","0.003","93.946","0.003","114.855","0.003","2282","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0573","0.0452","","","0.0883","0.0934","","","","","","1.027","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559609","13.7919","0.0011","14.0585","0.0012","20.0654","0.0016","71.904","0.002","81.904","0.002","60.636","0.002","3222.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97.07 H204.13 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0327","0.0269","","","0.0649","0.0681","","","","","","1.021","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559610","11.7272","0.0006","20.2947","0.001","21.6422","0.0011","90","","99.99","0.001","90","","5072.7","0.4","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C132 H264 Ce4 Co4 D16 N12 O6 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0605","0.0395","","","0.0776","0.0863","","","","","","1.01","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559611","22.1584","0.0019","41.418","0.004","13.425","0.0012","90","","90","","90","","12320.9","1.9","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C90 H186 Ce2 Cl4 O29 Si6 -","- C90 H186 Ce2 Cl4 O29 Si6 -","- C360 H744 Ce8 Cl16 O116 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0663","0.0527","","","0.1203","0.128","","","","","","1.108","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559612","9.8347","0.0004","12.6226","0.0005","12.8064","0.0006","118.576","0.001","101.423","0.001","94.672","0.001","1339.49","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","1","0.5","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","1.54178","CuKα","","0.0492","0.0464","","","0.1195","0.122","","","","","","1.041","","","","has coordinates,has disorder","267071","2021-07-05","16:51:05",""
"1559613","15.3311","0.0016","23.844","0.003","15.4674","0.0016","90","","95.515","0.003","90","","5628","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H86 N2 O8 -","- C60 H86 N2 O8 -","- C240 H344 N8 O32 -","4","1","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","0.71073","MoKα","","0.086","0.0591","","","0.1454","0.1599","","","","","","1.037","","","","has coordinates,has disorder","267071","2021-07-05","16:51:16",""
"1559615","17.0085","0.0011","9.896","0.0007","10.5439","0.0007","90","","92.8684","0.0019","90","","1772.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Liang, Weida; Cai, Xinpei; Dai, Mingji","Cu-catalyzed hydroxycyclopropanol ring-opening cyclization to tetrahydrofurans and tetrahydropyrans: short total syntheses of hyperiones.","Chemical science","2020","12","4","1311","1316","10.1039/d0sc05556e","","","1.54178","CuKα","","0.0437","0.042","","","0.1221","0.1241","","","","","","1.193","","","","has coordinates,has disorder","267063","2021-07-05","16:48:54",""
"1559616","9.44906","0.00012","9.44906","0.00012","9.44906","0.00012","90","","90","","90","","843.657","0.019","298","","298","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Bi K3 S3 -","- Bi K3 S3 -","- Bi4 K12 S12 -","4","0.333333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","1.54056","CuKα","","0.0635","0.0624","","0.0833","0.0832","","","","1.53","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559617","4.128802","0.000013","4.128802","0.000013","22.09041","0.00012","90","","90","","120","","326.124","0.002","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi K S2 -","- Bi K S2 -","- Bi3 K3 S6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.45777","Synchrotron","","0.0204","0.0204","","0.0249","0.0249","","","","1.23","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559618","4.264423","0.000014","4.264423","0.000014","23.02901","0.00014","90","","90","","120","","362.682","0.003","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","KBiSe2","","- Bi K Se2 -","- Bi K Se2 -","- Bi3 K3 Se6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.41283","Synchrotron","","0.0269","0.0263","","0.0287","0.0287","","","","1.1","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559619","4.7962","0.0004","16.1392","0.0014","15.9437","0.0013","90","","90","","90","","1234.15","0.18","276","2","276","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Chen, Pu; Nan, Jiang; Hu, Yan; Kang, Yifan; Wang, Bo; Ma, Yangmin; Szostak, Michal","Metal-free tandem carbene N-H insertions and C-C bond cleavages.","Chemical science","2020","12","2","803","811","10.1039/d0sc05763k","","","0.71073","MoKα","","0.2812","0.0749","","","0.0988","0.1368","","","","","","0.929","","","","has coordinates","267073","2021-07-05","16:51:28",""
"1559620","12.394","0.0009","14.5843","0.0005","19.472","0.0007","90","","107.233","0.004","90","","3361.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.78229","Synchrotron","","0.1727","0.0779","","","0.1738","0.2467","","","","","","1.052","","","","has coordinates,has disorder","259338","2020-11-30","02:04:43",""
"1559621","12.2772","0.0005","14.5882","0.0006","36.9888","0.0015","90","","91.924","0.007","90","","6621","0.5","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0736","0.0601","","","0.1619","0.1709","","","","","","1.071","","","","has coordinates,has disorder","259338","2020-11-30","02:04:44",""
"1559622","12.3036","0.0005","14.6207","0.0006","19.2792","0.0008","90","","106.497","0.008","90","","3325.3","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0605","0.0584","","","0.1591","0.1616","","","","","","1.046","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559623","12.131","0.011","14.308","0.012","36.28","0.03","90","","91.678","0.007","90","","6294","9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.1721","0.0777","","","0.2186","0.2743","","","","","","0.996","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559624","12.1827","0.0003","14.5714","0.0003","36.9401","0.0009","90","","91.847","0.007","90","","6554.2","0.3","20","2","20","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0376","0.0363","","","0.0896","0.0905","","","","","","1.017","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559625","12.1462","0.0004","14.4267","0.0005","37.4462","0.0013","90","","90","","90","","6561.7","0.4","20","2","20","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.066","0.0567","","","0.1358","0.1424","","","","","","1.052","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559626","12.3769","0.0005","14.622","0.0006","19.3798","0.0008","90","","106.751","0.007","90","","3358.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0561","0.0516","","","0.1397","0.1447","","","","","","1.066","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559627","12.457","0.003","14.737","0.003","19.461","0.004","90","","107.079","0.008","90","","3415.1","1.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0798","0.0597","","","0.1591","0.1726","","","","","","1.049","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559628","13.253","0.003","13.253","0.003","19.0733","0.0018","90","","90","","90","","3350.1","1.1","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","1","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4268","synchrotron","","0.0956","0.0889","","","0.27","0.2797","","","","","","1.102","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559629","12.366","0.0005","14.6509","0.0006","19.3318","0.0009","90","","106.695","0.008","90","","3354.8","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0682","0.0642","","","0.1909","0.1956","","","","","","1.065","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559630","12.3394","0.0016","14.4779","0.0018","37.612","0.005","90","","90","","90","","6719.3","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1438","0.0813","","","0.1947","0.2292","","","","","","1.026","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559631","12.3376","0.0006","14.6395","0.0007","19.3056","0.001","90","","106.583","0.008","90","","3341.9","0.3","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0614","0.0588","","","0.1682","0.1712","","","","","","1.051","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559632","12.301","0.0009","14.4564","0.001","37.499","0.003","90","","90","","90","","6668.4","0.9","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1441","0.09","","","0.2276","0.2656","","","","","","1.035","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559633","12.2172","0.0003","14.5659","0.0004","36.9576","0.001","90","","91.839","0.007","90","","6573.4","0.3","60","2","60","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0508","0.0482","","","0.1188","0.1208","","","","","","1.018","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559634","12.2859","0.0008","14.4505","0.0009","37.464","0.002","90","","90","","90","","6651.3","0.7","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1493","0.0978","","","0.2501","0.2896","","","","","","1.03","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559635","10.14023","0.00008","15.89219","0.0001","18.23835","0.00015","90","","105.522","0.0008","90","","2831.92","0.04","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N4 O5 S -","- C31 H30 N4 O5 S -","- C124 H120 N16 O20 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0438","0.0409","","","0.1056","0.1083","","","","","","1.066","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559636","18.90952","0.00014","10.14583","0.00006","28.4275","0.0002","90","","93.3559","0.0007","90","","5444.54","0.06","180","0.1","180","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C256 H264 N24 O16 S8 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0372","0.0348","","","0.0905","0.0926","","","","","","1.071","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559637","10.9678","0.0003","15.3212","0.0004","17.9064","0.0005","111.225","0.003","98.183","0.003","98.485","0.003","2710.92","0.15","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C128 H132 N12 O8 S4 -","4","2","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.048","0.0381","","","0.0989","0.1064","","","","","","1.034","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559638","18.50216","0.00012","21.27952","0.00014","10.92519","0.00007","90","","90","","90","","4301.43","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C208 H200 N24 O16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0289","0.028","","","0.0713","0.072","","","","","","1.048","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559639","21.3021","0.001","7.7181","0.0004","23.5444","0.0012","90","","90","","90","","3871","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0881","0.0549","","","0.1293","0.1547","","","","","","1.027","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559640","9.2787","0.0005","14.567","0.0009","28.3208","0.0018","90","","96.297","0.002","90","","3804.8","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H33 Cl2 N O -","- C52 H33 Cl2 N O -","- C208 H132 Cl8 N4 O4 -","4","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","","0.71073","MoKα","","0.1699","0.0875","","","0.2025","0.2503","","","","","","1.018","","","","has coordinates","267064","2021-07-05","16:49:03",""
"1559641","12.0934","0.0006","13.1272","0.0007","13.4509","0.0007","118.019","0.001","90.255","0.002","105.741","0.002","1792.4","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H33 N O -","- C51 H33 N O -","- C102 H66 N2 O2 -","2","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","x-ray","0.71073","MoKα","","0.0649","0.0454","","","0.1109","0.1225","","","","","","1.027","","","","has coordinates","267064","2021-07-05","16:49:04",""
"1559642","10.01048","0.00019","13.6732","0.0003","17.5596","0.0003","73.5259","0.0018","85.7741","0.0015","69.1588","0.0018","2153.01","0.08","239.9","0.2","239.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0405","0.0328","","","0.0784","0.0836","","","","","","1.047","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559643","13.5851","0.0009","18.7551","0.0009","19.6424","0.0008","64.608","0.003","71.048","0.004","71.168","0.004","4176.3","0.4","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0854","0.0759","","","0.2188","0.2358","","","","","","1.172","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559644","9.99242","0.00016","13.64829","0.00017","17.4977","0.0003","73.5796","0.0013","85.7654","0.0013","69.0385","0.0013","2136.52","0.06","210","0.14","210","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.035","0.0298","","","0.0719","0.0757","","","","","","1.037","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559645","9.9614","0.0018","13.577","0.003","17.271","0.003","103.019","0.008","94.103","0.008","111.28","0.007","2090.2","0.7","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0993","0.0482","","","0.1017","0.1156","","","","","","1.035","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559646","9.9719","0.0003","13.5419","0.0004","17.0957","0.0005","76.716","0.002","85.858","0.002","110.386","0.002","2076.54","0.11","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0717","0.0689","","","0.1862","0.19","","","","","","1.109","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559647","9.9677","0.0004","13.5502","0.0005","17.0822","0.0005","76.876","0.002","85.729","0.002","110.376","0.002","2076.34","0.13","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0571","0.0523","","","0.1358","0.14","","","","","","1.133","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559648","9.9726","0.0003","13.6198","0.0004","17.4815","0.0005","73.5194","0.0017","85.7393","0.0018","69.1085","0.0018","2126.23","0.11","240","1","240","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0566","0.05","","","0.1285","0.1336","","","","","","1.12","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559649","9.9402","0.0013","13.5461","0.0019","17.384","0.002","73.959","0.006","85.95","0.005","68.735","0.005","2095.3","0.5","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0803","0.046","","","0.0999","0.1114","","","","","","1.035","","","","has coordinates,has disorder","267097","2021-07-05","16:58:32",""
"1559650","10.008","0.004","13.653","0.007","17.13","0.006","76.955","0.014","85.823","0.012","110.551","0.014","2105.2","1.6","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.1224","0.0632","","","0.1379","0.1659","","","","","","0.931","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559651","13.5877","0.0003","18.7535","0.0005","19.6264","0.0005","64.662","0.002","71.098","0.002","71.086","0.002","4174.4","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.075","0.0627","","","0.1761","0.1884","","","","","","1.114","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559652","9.9953","0.0003","13.6057","0.0002","17.1602","0.0003","76.844","0.0016","85.77","0.002","110.502","0.003","2098.13","0.09","94.9","0.2","94.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.066","0.0461","","","0.0931","0.1072","","","","","","1.048","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559653","13.63358","0.00018","18.8075","0.0002","19.6686","0.0002","64.7142","0.0013","71.0809","0.0012","71.0628","0.0012","4210.47","0.1","120","0.14","120","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0473","0.0384","","","0.1026","0.1125","","","","","","1.045","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559654","13.1243","0.0003","15.2075","0.0003","16.3433","0.0003","90","","90","","90","","3261.92","0.12","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 N O3 Si -","- C31 H53 N O3 Si -","- C124 H212 N4 O12 Si4 -","4","1","","Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji","Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines.","Chemical science","2020","12","4","1445","1450","10.1039/d0sc05269h","","","0.71073","MoKα","","0.0295","0.0275","","","0.0667","0.068","","","","","","1.04","","","","has coordinates","267060","2021-07-05","16:48:26",""
"1559655","8.047","0.006","11.508","0.007","14.43","0.009","90","","90.23","0.04","90","","1336.3","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Gollapelli, Krishna Kumar; Patil, Vaibhav B.; Vinaykumar, Allam; Chegondi, Rambabu","Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones <i>via</i> highly <i>exo</i>-selective Huisgen-type [3 + 2] cycloaddition.","Chemical science","2020","12","4","1544","1550","10.1039/d0sc05543c","","","0.71073","MoKα","","0.0693","0.0484","","","0.1124","0.1241","","","","","","1.052","","","","has coordinates","267061","2021-07-05","16:48:31",""
"1559656","10.081","0.004","24.946","0.008","11.246","0.004","90","","107.46","0.01","90","","2697.8","1.7","300","2","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","1RT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","0.5","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.0592","0.0456","","","0.1112","0.1201","","","","","","1.048","","","","has coordinates,has disorder","267096","2021-07-05","16:58:13",""
"1559657","9.592","0.014","11.701","0.019","26.2","0.04","90.03","0.07","91.86","0.04","112.38","0.07","2717","7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","1LT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","1","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.1557","0.1088","","","0.2531","0.2777","","","","","","1.087","","","","has coordinates","267096","2021-07-05","16:58:13",""
"1559664","12.0065","0.0003","12.0065","0.0003","23.9165","0.0007","90","","90","","90","","3447.71","0.16","150","2","150","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- In Li3 P2 -","- In Li3 P2 -","- In32 Li96 P64 -","32","1","","Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F","Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>.","Chemical science","2020","12","4","1278","1285","10.1039/d0sc05851c","","","0.71073","MoKα","","0.0212","0.0143","","","0.0302","0.0316","","","","","","1.023","","","","has coordinates","267067","2021-07-05","16:50:22",""
"1559665","14.029","0.002","9.9593","0.0019","20.562","0.003","90","","92.648","0.004","90","","2869.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 B11 P -","- C26 H30 B11 P -","- C104 H120 B44 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1142","0.0636","","","0.1547","0.1891","","","","","","1.021","","","","has coordinates","267058","2021-07-05","16:46:25",""
"1559666","14.553","0.003","14.829","0.003","15.99","0.003","69.051","0.004","79.173","0.004","70.065","0.004","3021","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 B11 N3 P -","- C62 H75 B11 N3 P -","- C124 H150 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1799","0.0874","","","0.1997","0.2546","","","","","","0.973","","","","has coordinates","267058","2021-07-05","16:46:34",""
"1559667","11.524","0.003","14.772","0.004","20.643","0.006","77.743","0.005","77.242","0.005","71.242","0.005","3207.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 B11 N3 P -","- C58 H67 B11 N3 P -","- C116 H134 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1573","0.0834","","","0.2171","0.2503","","","","","","0.842","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559668","11.512","0.0013","22.661","0.003","14.8847","0.0017","90","","95.426","0.003","90","","3865.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B11 N P -","- C36 H41 B11 N P -","- C144 H164 B44 N4 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.11","0.0666","","","0.1595","0.1769","","","","","","0.893","","","","has coordinates","267058","2021-07-05","16:46:48",""
"1559669","13.061","0.002","13.363","0.003","17.006","0.003","91.902","0.003","112.387","0.003","107.918","0.003","2572.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H65 B11 N O2 P -","- C54 H65 B11 N O2 P -","- C108 H130 B22 N2 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1132","0.0694","","","0.1709","0.2048","","","","","","1.016","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559670","15.0697","0.0018","14.0752","0.0018","29.446","0.004","90","","98.86","0.003","90","","6171.2","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 B11 N3 P -","- C56 H63 B11 N3 P -","- C224 H252 B44 N12 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.2351","0.0822","","","0.1756","0.2483","","","","","","0.917","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559671","12.189","0.006","21.845","0.011","22.102","0.011","90","","102.623","0.009","90","","5743","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 B11 N O2 P -","- C51 H55 B11 N O2 P -","- C204 H220 B44 N4 O8 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1552","0.0934","","","0.2261","0.2548","","","","","","0.902","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559672","14.84","0.002","15.233","0.002","17.153","0.002","78.44","0.003","77.68","0.003","74.344","0.003","3605.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H91 B11 N3 O2 P -","- C78 H91 B11 N3 O2 P -","- C156 H182 B22 N6 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1698","0.0801","","","0.1759","0.2231","","","","","","0.99","","","","has coordinates,has disorder","267058","2021-07-05","16:46:50",""
"1559673","5.0451","0.0001","13.6147","0.0003","15.6358","0.0003","90","","93.956","0.002","90","","1071.43","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0573","0.0561","","","0.165","0.1667","","","","","","1.071","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559674","8.6415","0.0001","14.2584","0.0003","9.2288","0.0002","90","","97.831","0.002","90","","1126.51","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0379","0.035","","","0.0951","0.0971","","","","","","1.064","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559675","10.184","0.0003","11.0563","0.0003","14.3733","0.0003","69.266","0.002","87.583","0.002","89.765","0.002","1512.13","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C84 H60 N4 O8 -","4","2","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.039","0.0366","","","0.0924","0.0941","","","","","","1.038","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559689","12.151","0.007","13.362","0.008","16.11","0.01","111.747","0.01","92.86","0.01","113.294","0.009","2172","2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56.67 Cu F2 N6 O13.34 -","- C38 H56.6666 Cu F2 N6 O13.3333 -","- C76 H113.333 Cu2 F4 N12 O26.6666 -","2","1","","Guo, Rui-Feng; Yan, Hou-Tian; Liu, Rui-Xue; Li, Hong-Chang; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Structural characterization and pharmacological assessment <i>in vitro</i>/<i>in vivo</i> of a new copper(II)-based derivative of enrofloxacin.","Metallomics : integrated biometal science","2020","12","12","2145","2160","10.1039/d0mt00155d","","","0.71073","MoKα","","0.1047","0.0576","","","0.1573","0.1893","","","","","","0.989","","","","has coordinates","260800","2021-01-07","06:43:45",""
"1559690","9.1549","0.0001","17.1711","0.0001","21.808","0.0001","90","","90","","90","","3428.21","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O11 -","- C37 H50 O11 -","- C148 H200 O44 -","4","1","","Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen","Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01151","","x-ray","1.54184","CuKα","","0.0319","0.0314","","","0.082","0.0826","","","","","","1.05","","","","has coordinates","259417","2020-12-02","00:11:44",""
"1559691","13.757","0.0001","15.5959","0.0001","16.8013","0.0002","90","","90","","90","","3604.77","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H50 O12 -","- C39 H50 O12 -","- C156 H200 O48 -","4","1","","Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen","Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01151","","x-ray","1.54184","CuKα","","0.0347","0.0327","","","0.091","0.0925","","","","","","1.052","","","","has coordinates","259418","2020-12-02","00:12:07",""
"1559692","31.36","0.005","5.4501","0.0008","14.626","0.002","90","","94.939","0.009","90","","2490.5","0.6","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C58 H58 N4 O8 -","- C58 H58 N4 O8 -","- C116 H116 N8 O16 -","2","0.5","","Yang, Yue; Gong, Qi; Wang, Wei; Mao, Ying-Le; Wang, Xiao-Rong; Yao, Sheng; Zhang, Hai-Yan; Tang, Chunping; Ye, Yang","Neuroprotective and Anti-inflammatory Ditetrahydrofuran-Containing Diarylheptanoids from <i>Tacca chantrieri</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00901","","","1.54178","CuKα","","0.0332","0.0312","","","0.0777","0.0791","","","","","","1.039","","","","has coordinates","259419","2020-12-02","00:12:37",""
"1559693","9.3405","0.0008","10.8596","0.0009","18.9774","0.0017","75.724","0.001","82.338","0.002","86.529","0.003","1848.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H42 Br2 N2 Ni -","- C41 H42 Br2 N2 Ni -","- C82 H84 Br4 N4 Ni2 -","2","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.0736","0.0416","","","0.0859","0.091","","","","","","1.068","","","","has coordinates","259465","2020-12-02","06:07:20",""
"1559694","12.93","0.0011","14.8499","0.0013","15.1301","0.0014","105.57","0.003","113.86","0.005","103.22","0.003","2364.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H61 Cl N2 Pd -","- C50 H61 Cl N2 Pd -","- C100 H122 Cl2 N4 Pd2 -","2","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.0754","0.059","","","0.1715","0.1827","","","","","","1.097","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559695","9.23","0.0009","22.71","0.002","18.1601","0.0017","90","","91.2","0.002","90","","3805.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 Cl F4 N2 Pd -","- C42 H41 Cl F4 N2 Pd -","- C168 H164 Cl4 F16 N8 Pd4 -","4","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.1684","0.0671","","","0.0925","0.1104","","","","","","0.988","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559696","17.2731","0.0015","12.489","0.0011","21.4769","0.0019","90","","127.871","0.005","90","","3657.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H45 Cl N2 Pd -","- C42 H45 Cl N2 Pd -","- C168 H180 Cl4 N8 Pd4 -","4","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.108","0.0573","","","0.1051","0.1179","","","","","","1.028","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559697","6.8808","0.0002","11.0218","0.0003","7.1787","0.0002","90","","94.454","0.003","90","","542.78","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S2 -","- C12 H6 N2 S2 -","- C24 H12 N4 S4 -","2","0.5","","Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui","Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors","Polymer Chemistry","2020","11","46","7340","7348","10.1039/D0PY01399D","","x-ray","0.71073","MoKα","","0.0279","0.0261","","","0.0787","0.0798","","","","","","1.067","","","","has coordinates","260828","2021-01-07","07:14:43",""
"1559698","3.8298","0.0001","10.427","0.0002","13.8707","0.0002","90","","95.296","0.001","90","","551.54","0.02","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S2 -","- C12 H6 N2 S2 -","- C24 H12 N4 S4 -","2","0.5","","Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui","Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors","Polymer Chemistry","2020","11","46","7340","7348","10.1039/D0PY01399D","","x-ray","1.54184","CuKα","","0.0384","0.0362","","","0.0978","0.0997","","","","","","1.127","","","","has coordinates","260828","2021-01-07","07:14:43",""
"1559699","19.9382","0.0003","18.4554","0.0003","44.8986","0.0009","90","","92.964","0.002","90","","16499.1","0.5","225","2","225","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C243 H236 Ga32 N32 Na4 Nd4 O139 -","- C243 H236 Ga32 N32 Na4 Nd4 O139 -","- C486 H472 Ga64 N64 Na8 Nd8 O278 -","2","0.5","","Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.","Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure.","The journal of physical chemistry. A","2020","124","50","10550","10564","10.1021/acs.jpca.0c08819","","","1.54178","CuKα","","0.1176","0.1084","","","0.3255","0.3343","","","","","","1.16","","","","has coordinates,has disorder","260434","2021-01-04","03:21:32",""
"1559700","20.3089","0.0008","14.9227","0.0007","24.4008","0.001","90","","90.684","0.006","90","","7394.5","0.5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl4 N2 Pt -","- C40 H36 Cl4 N2 Pt -","- C320 H288 Cl32 N16 Pt8 -","8","1","","Sotani, Taichi; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis of Platinum-Containing Conjugated Polymers Bearing Optically Active Amide Groups: A Mechanistic Study of Chiral Aggregation","Macromolecules","2020","53","24","11077","11088","10.1021/acs.macromol.0c00911","","","0.710747","MoKα","","0.0547","0.0425","","","0.0829","0.0866","","","","","","1.0536","","","","has coordinates","260435","2021-01-04","03:22:42",""
"1559701","9.8094","0.0003","20.7167","0.0007","9.6437","0.0003","90","","93.556","0.001","90","","1956","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 S -","- C23 H19 N3 S -","- C92 H76 N12 S4 -","4","1","","Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan","X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line.","Analytical methods : advancing methods and applications","2020","12","45","5485","5495","10.1039/d0ay01090a","","","0.71073","MoKα","","0.0737","0.0534","","","0.1392","0.1561","","","","","","1.031","","","","has coordinates","259536","2020-12-04","06:07:28",""
"1559702","22.18","0.003","5.9098","0.0007","16.938","0.002","90","","94.383","0.004","90","","2213.7","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N3 O -","- C29 H23 N3 O -","- C116 H92 N12 O4 -","4","1","","Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan","X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line.","Analytical methods : advancing methods and applications","2020","12","45","5485","5495","10.1039/d0ay01090a","","","0.71073","MoKα","","0.1556","0.0913","","","0.1494","0.173","","","","","","1.138","","","","has coordinates","259536","2020-12-04","06:07:29",""
"1559703","9.2554","0.0003","11.5721","0.0004","31.9214","0.001","90","","90","","90","","3418.92","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","","- C42 H37 N O2 -","- C42 H37 N O2 -","- C168 H148 N4 O8 -","4","1","SJ4216","Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R.","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","IUCrData","2020","5","12","x201576","","10.1107/S241431462001576X","","x-ray","0.71073","MoKα","","0.0973","0.0524","","","0.0976","0.1122","","","","","","1.007","","","","has coordinates,has Fobs","259558","2020-12-05","05:47:04",""
"1559704","21.354","0.0016","12.3394","0.001","10.9586","0.0008","90","","101.844","0.006","90","","2826.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 F6 O6 -","- C29 H34 F6 O6 -","- C116 H136 F24 O24 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0975","0.0551","","","0.1111","0.1255","","","","","","0.953","","","","has coordinates","259566","2020-12-05","15:08:58",""
"1559705","6.3781","0.0016","13.826","0.004","15.124","0.004","92.61","0.02","91.07","0.02","96.54","0.02","1323.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 F4 N5 S2 -","- C29 H21 F4 N5 S2 -","- C58 H42 F8 N10 S4 -","2","1","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.1733","0.0559","","","0.1127","0.1487","","","","","","0.846","","","","has coordinates","259566","2020-12-05","15:08:59",""
"1559706","21.89","0.004","9.2771","0.0015","10.6726","0.0014","90","","99.344","0.012","90","","2138.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H10 F6 N4 O2 -","- C23 H10 F6 N4 O2 -","- C92 H40 F24 N16 O8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.127","0.0589","","","0.1048","0.1219","","","","","","0.985","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559707","25.3473","0.0019","11.025","0.0008","10.6805","0.0011","90","","90","","90","","2984.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H34 F6 O4 S2 -","- C29 H34 F6 O4 S2 -","- C116 H136 F24 O16 S8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0482","0.0414","","","0.1106","0.1145","","","","","","1.043","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559708","7.147","0.001","8.3925","0.0012","14.495","0.002","81.952","0.012","87.947","0.012","78.899","0.012","844.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H10 F6 O2 -","- C19 H10 F6 O2 -","- C38 H20 F12 O4 -","2","1","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0644","0.0386","","","0.0882","0.0961","","","","","","0.92","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559709","21.831","0.003","9.0389","0.0008","10.1044","0.0013","90","","101.746","0.01","90","","1952.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C92 H64 N16 O8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1328","0.1425","","","","","","1.045","","","","has coordinates","259566","2020-12-05","15:09:01",""
"1559710","16.0352","0.0004","5.5514","0.0001","17.2061","0.0004","90","","100.324","0.003","90","","1506.85","0.06","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2'Z,3'E)-3'-(Hydroxyimino)-5-methoxy-[2',3-biindolinylidene]-2-one","","- C18 H16 N3 O3.5 -","- C18 H16 N3 O3.5 -","- C72 H64 N12 O14 -","4","1","","NAKAMURA, Niina; ICHIMARU, Yoshimi; KATO, Koichi; SANO, Makoto; KUROSAKI, Hiromasa; HAYASHI, Kazuhiko; MIYAIRI, Shinichi","Crystal Structure of 5-Methoxyindirubin 3′-Oxime","X-ray Structure Analysis Online","2020","36","0","47","48","10.2116/xraystruct.36.47","","x-ray","1.54184","CuKα","","0.0616","0.0524","","","0.1354","0.1411","","","","","","1.055","","","","has coordinates,has disorder","259630","2020-12-06","15:01:01",""
"1559711","13.569","0.0002","14.2212","0.0002","7.5004","0.0001","90","","90","","90","","1447.33","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H17 I O -","- C17 H17 I O -","- C68 H68 I4 O4 -","4","1","","BLANGETTI, Marco; O’SHEA, Donal F.","Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality","X-ray Structure Analysis Online","2020","36","0","45","46","10.2116/xraystruct.36.45","","","1.54184","CuKα","","0.029","0.0281","","","0.0733","0.0741","","","","","","1.052","","","","has coordinates","259631","2020-12-06","15:01:22",""
"1559712","8.5598","0.0014","14.825","0.004","10.853","0.002","90","","108.57","0.013","90","","1305.5","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-iminium [tri-μ~2~-cyanido-κ^6^ C:<i>N</i>-dicuprate(I)]]","","- C9 H14 Cu2 N6 -","- C9 H14 Cu2 N6 -","- C36 H56 Cu8 N24 -","4","1","","Corfield, Peter W. R.; Dayrit, Joseph R.","Poly[1,3-Dimethyltetrahydropyrimidin-2(1H)-iminium [tri-µ2-cyanido-κ6C:N-dicuprate(I)]]","Molbank","2020","2020","4","M1170","","10.3390/M1170","","","0.7107","MoKα","","0.0523","0.0336","","","0.0893","0.0932","","","","","","1.07","","","","has coordinates,has disorder","259632","2020-12-06","21:26:36",""
"1559718","14.931","0.003","8.6942","0.0017","18.187","0.004","90","","107.5","0.03","90","","2251.6","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 Si -","- C24 H36 N2 Si -","- C96 H144 N8 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0514","0.0365","","","0.0867","0.0905","","","","","","0.927","","","","has coordinates","259673","2020-12-09","02:09:53",""
"1559719","11.4292","0.0005","20.8212","0.0011","16.8791","0.0007","90","","97.269","0.003","90","","3984.4","0.3","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H54 N2 Si Zn -","- C37.5 H54 N2 Si Zn -","- C150 H216 N8 Si4 Zn4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.1027","0.0577","","","0.151","0.1689","","","","","","0.954","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559720","8.5961","0.0004","10.5095","0.0003","19.1188","0.0009","90","","99.139","0.004","90","","1705.28","0.12","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H54 N2 Si Zn -","- C36 H54 N2 Si Zn -","- C72 H108 N4 Si2 Zn2 -","2","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0345","0.0293","","","0.0659","0.0671","","","","","","0.986","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559721","11.4019","0.0006","20.6248","0.001","13.6772","0.0009","90","","101.761","0.005","90","","3148.8","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl N2 Rh Si -","- C32 H48 Cl N2 Rh Si -","- C128 H192 Cl4 N8 Rh4 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0385","0.0267","","","0.0675","0.0713","","","","","","1.054","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559722","33.271","0.007","9.5771","0.0019","19.943","0.004","90","","103.05","0.03","90","","6191","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 Cl Ir N2 Si -","- C32 H48 Cl Ir N2 Si -","- C256 H384 Cl8 Ir8 N16 Si8 -","8","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0342","0.0224","","","0.0467","0.0484","","","","","","0.956","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559723","10.2454","0.0007","12.6409","0.0009","15.4096","0.0009","105.459","0.005","107.476","0.005","100.998","0.005","1753.3","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H51 Ca I N2 Si -","- C34 H51 Ca I N2 Si -","- C68 H102 Ca2 I2 N4 Si2 -","2","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0499","0.0328","","","0.0667","0.0689","","","","","","0.938","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559724","8.6931","0.0017","16.799","0.003","16.673","0.003","90","","102.11","0.03","90","","2380.7","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 Si -","- C24 H36 N2 Si -","- C96 H144 N8 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0698","0.0489","","","0.1354","0.1486","","","","","","1.048","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559725","22.3705","0.0017","32.55","0.002","22.5838","0.0017","90","","95.026","0.002","90","","16381","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C250 H258 Mn24 N2 O130 -","- C250 H140 Mn24 N2 O130 -","- C500 H280 Mn48 N4 O260 -","2","0.5","","Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.","Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones","Chemical Science","2020","11","46","12547","12552","10.1039/D0SC05002D","","","0.71073","MoKα","","0.1907","0.1318","","","0.3923","0.4373","","","","","","1.678","","","","has coordinates,has disorder","259674","2020-12-09","02:11:18",""
"1559726","37.471","0.005","39.182","0.005","25.613","0.004","90","","90","","90","","37605","9","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C248 H252 Mn24 N4 O140 -","- C248 H204 Mn24 N4 O140 -","- C992 H816 Mn96 N16 O560 -","4","0.5","","Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.","Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones","Chemical Science","2020","11","46","12547","12552","10.1039/D0SC05002D","","","0.71073","MoKα","","0.1834","0.0858","","","0.2134","0.2766","","","","","","1.013","","","","has coordinates,has disorder","259674","2020-12-09","02:11:18",""
"1559727","13.9627","0.0011","24.4797","0.0019","20.1924","0.0016","90","","109.711","0.004","90","","6497.4","0.9","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 B2 F24 N4 O2 Pt -","- C58 H60 B2 F24 N4 O2 Pt -","- C232 H240 B8 F96 N16 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0572","0.0358","","","0.073","0.0813","","","","","","1.034","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559728","17.784","0.001","19.3314","0.0012","19.4985","0.0012","77.056","0.003","83.793","0.003","71.134","0.003","6177.4","0.7","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C232 H216 B8 F96 N24 Pt4 -","4","2","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.1031","0.06","","","0.1401","0.1624","","","","","","1.039","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559729","12.8046","0.0007","13.6804","0.0007","18.4265","0.001","96.145","0.003","98.035","0.003","91.631","0.003","3174.7","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C116 H108 B4 F48 N12 Pt2 -","2","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0645","0.0438","","","0.0819","0.0888","","","","","","1.044","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559730","13.001","0.0007","26.3167","0.0013","21.0636","0.001","90","","101.229","0.002","90","","7068.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H69 B2 F24 N5 O2 Pt -","- C63 H69 B2 F24 N5 O2 Pt -","- C252 H276 B8 F96 N20 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0773","0.0506","","","0.105","0.1148","","","","","","1.092","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559731","28.129","0.0008","28.129","0.0008","10.2773","0.0004","90","","90","","120","","7042.4","0.4","173","2","173","2","","","","","","","","6","P 61","P 61","169","","","","- C55.17 H44.33 N4 O P Zn -","- C55.1669 H44.3336 N4 O P Zn -","- C331.001 H266.002 N24 O6 P6 Zn6 -","6","1","","Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak","A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers.","Chemical science","2020","12","5","1750","1755","10.1039/d0sc02940h","","","1.54178","CuKα","","0.198","0.088","","","0.2059","0.2611","","","","","","0.957","","","","has coordinates,has disorder","267054","2021-07-05","16:45:31",""
"1559732","9.0142","0.0016","9.975","0.002","11.8175","0.0014","90","","95.44","0.013","90","","1057.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl O2 -","- C25.963 H19 Cl O2 -","- C51.926 H38 Cl2 O4 -","2","1","","Peng, Xiaolin; Xu, Jun; Li, Tingting; Chi, Yonggui Robin; Jin, Zhichao","Chemo-selective cross reaction of two enals via carbene-catalyzed dual activation","Chemical Science","2020","11","46","12533","12539","10.1039/D0SC03297B","","","1.54178","CuKα","","0.0844","0.0655","","","0.154","0.1784","","","","","","1.079","","","","has coordinates,has disorder","259677","2020-12-09","02:14:02",""
"1559733","10.6148","0.0002","5.0773","0.0001","15.8871","0.0003","90","","104.929","0.002","90","","827.33","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 Cl N2 O3 -","- C16 H23 Cl N2 O3 -","- C32 H46 Cl2 N4 O6 -","2","1","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.049","0.0387","","","0.0811","0.085","","","","","","1.01","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559734","4.9505","0.0002","8.582","0.0003","19.942","0.0006","88.027","0.002","85.435","0.002","89.121","0.002","843.98","0.05","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H20 Br Cl N2 O2 -","- C15 H20 Br Cl N2 O2 -","- C30 H40 Br2 Cl2 N4 O4 -","2","2","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.0586","0.0489","","","0.1146","0.1207","","","","","","1.05","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559735","7.0556","0.0003","11.2701","0.0004","21.8311","0.0008","76.95","0.003","80.721","0.003","83.88","0.003","1664.53","0.11","293.1","0.6","293.1","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O4 -","- C39 H35 Cl N2 O4 -","- C78 H70 Cl2 N4 O8 -","2","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0643","0.0573","","","0.1664","0.1771","","","","","","1.021","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559736","11.61201","0.00013","15.7662","0.0002","16.56274","0.00019","90","","96.2696","0.001","90","","3014.13","0.06","294.7","0.6","294.7","0.6","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 N2 -","- C39 H26 N2 -","- C156 H104 N8 -","4","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0577","0.0517","","","0.1487","0.1574","","","","","","1.038","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559738","16.3688","0.0016","32.3268","0.0009","36.999","0.002","90","","97.356","0.007","90","","19417","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C160 H240 Au22 S16 -","- C160 H240 Au22 S16 -","- C640 H960 Au88 S64 -","4","1","","Li, Qinzhen; Yang, Sha; Chen, Tao; Jin, Shan; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Structure determination of a metastable Au<sub>22</sub>(SAdm)<sub>16</sub> nanocluster and its spontaneous transformation into Au<sub>21</sub>(SAdm)<sub>15</sub>.","Nanoscale","2020","12","46","23694","23699","10.1039/d0nr07124b","","","1.54186","CuKα","","0.0889","0.0703","","","0.1838","0.1961","","","","","","0.988","","","","has coordinates","259757","2020-12-10","05:33:45",""
"1559742","13.2976","0.0002","25.7772","0.0002","38.6074","0.0007","90","","90","","90","","13233.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C123.64 H127.46 F9 Lu N9.82 O29 S3 -","- C123.584 H127.376 F9 Lu N9.792 O29 S3 -","- C494.336 H509.504 F36 Lu4 N39.168 O116 S12 -","4","1","","Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Effects of turn-structure on folding and entanglement in artificial molecular overhand knots.","Chemical science","2020","12","5","1826","1833","10.1039/d0sc05897a","","x-ray","0.6889","Synchrotron","","0.1254","0.078","","","0.2195","0.2503","","","","","","1.015","","","","has coordinates,has disorder","267052","2021-07-05","16:45:17",""
"1559743","7.3505","0.0004","9.1897","0.0006","17.0347","0.0011","94.567","0.006","91.046","0.005","113.509","0.006","1050.24","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene 9,10-dicyanoanthracene","","- C32 H18 N2 -","- C32 H18 N2 -","- C64 H36 N4 -","2","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.144","0.0904","","","0.2084","0.2358","","","","","","1.052","","","","has coordinates","267053","2021-07-05","16:45:24",""
"1559744","8.295","0.0005","16.3146","0.0011","21.1379","0.0018","90","","91.514","0.007","90","","2859.6","0.4","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(6H-Benzo[c]chromen-6-one) pyrene","","- C42 H26 O4 -","- C42 H26 O4 -","- C168 H104 O16 -","4","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.1468","0.1143","","","0.3074","0.3306","","","","","","1.079","","","","has coordinates,has disorder","267053","2021-07-05","16:45:24",""
"1559745","11.438","0.002","23.034","0.004","15.788","0.003","90","","95.203","0.003","90","","4142.4","1.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Al0.5 Mo6 N3 O34.25 P4 -","- C18 H27 Al0.5 Mo6 N3 O34.25 P4 -","- C72 H108 Al2 Mo24 N12 O137 P16 -","4","1","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0403","0.0339","","","0.084","0.0878","","","","","","1.079","","","","has coordinates,has disorder","267057","2021-07-05","16:46:04",""
"1559746","48.173","0.005","13.8607","0.0013","47.347","0.005","90","","117.571","0.003","90","","28024","5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H114 Al6 Mo36 N22 O201 P24 -","- C132 H164 Al6 Mo36 N22 O201 P24 -","- C528 H656 Al24 Mo144 N88 O804 P96 -","4","0.5","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0686","0.0594","","","0.1433","0.1485","","","","","","1.117","","","","has coordinates","267057","2021-07-05","16:46:04",""
"1559747","17.4036","0.0007","20.6957","0.0008","24.9538","0.001","103.801","0.002","102.939","0.002","109.687","0.002","7749.8","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","1","0.5","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.0668","0.0568","","","0.1256","0.1344","","","","","","1.048","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559748","18.6937","0.0017","18.0533","0.0016","26.789","0.002","90","","91.191","0.003","90","","9038.9","1.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 B Ce F24 N7 Si6 -","- C64 H94 B Ce F24 N7 Si6 -","- C256 H376 B4 Ce4 F96 N28 Si24 -","4","1","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.086","0.0661","","","0.1652","0.1879","","","","","","1.123","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559749","11.495","0.003","11.697","0.003","11.753","0.003","72.463","0.004","82.359","0.004","71.422","0.003","1427.1","0.6","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","1","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0644","0.05","","","0.1281","0.141","","","","","","1.033","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559750","9.332","0.003","13.337","0.005","15.845","0.006","90","","97.844","0.007","90","","1953.6","1.2","100","2","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cu2 N26 -","- C36 H30 Cu2 N26 -","- C72 H60 Cu4 N52 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0915","0.0471","","","0.0804","0.0923","","","","","","1.012","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559751","8.018","0.004","4.669","0.003","18.877","0.01","90","","101.238","0.01","90","","693.1","0.7","100","2","99.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-amino-4,6-diazido-1,3,5-triazine","","- C3 H2 N10 -","- C3 H2 N10 -","- C12 H8 N40 -","4","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0772","0.0617","","","0.1711","0.1795","","","","","","1.098","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559752","9.58","0.005","13.076","0.008","15.904","0.009","90","","97.636","0.013","90","","1974.6","1.9","100","2","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N26 Zn2 -","- C36 H30 N26 Zn2 -","- C72 H60 N52 Zn4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.1196","0.0548","","","0.0958","0.1148","","","","","","0.988","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559753","11.034","0.004","13.414","0.006","18.758","0.008","91.221","0.006","106.188","0.006","99.178","0.007","2625.8","1.9","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Fe2 N27 O2 -","- C46 H49 Fe2 N27 O2 -","- C92 H98 Fe4 N54 O4 -","2","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.147","0.0685","","","0.1671","0.2186","","","","","","1.014","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559754","11.927","0.002","20.144","0.004","10.56","0.002","90","","98.269","0.004","90","","2510.7","0.8","100","2","100.09","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N26 Ni2 O2 -","- C44 H46 N26 Ni2 O2 -","- C88 H92 N52 Ni4 O4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0809","0.0461","","","0.0932","0.1055","","","","","","1.03","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559755","7.535","0.0018","7.6723","0.0017","9.372","0.002","90.136","0.018","90.773","0.019","118.555","0.017","475.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C16 H16 N8 Se4 -","2","1","BT4104","Detert, Heiner; Schollmeyer, Dieter","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","IUCrData","2020","5","12","x201585","","10.1107/S2414314620015850","","","0.71073","MoKα","","0.0754","0.0649","","","0.1937","0.2166","","","","","","1.116","","","","has coordinates,has Fobs","259834","2020-12-12","06:03:27",""
"1559756","6.0147","0.0002","18.8172","0.0004","20.453","0.0005","90","","90","","90","","2314.87","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","HB4369","Sha, Fanrui; Johnson, Adam R.","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","IUCrData","2020","5","12","x201580","","10.1107/S2414314620015801","","x-ray","0.71073","MoKα","","0.0616","0.0448","","","0.0918","0.0979","","","","","","1.031","","","","has coordinates,has Fobs","259835","2020-12-12","06:04:21",""
"1559757","10.8217","0.0002","11.1644","0.0002","18.2804","0.0005","90","","90","","90","","2208.6","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ircinianin","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","BT4103","Majer, Thomas; Schollmeyer, Dieter; Koch, Pierre; Gross, Harald","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","IUCrData","2020","5","12","x201578","","10.1107/S2414314620015783","","","1.54186","CuKα","","0.033","0.032","","","0.0841","0.0856","","","","","","1.077","","","","has coordinates,has Fobs","259836","2020-12-12","06:04:51",""
"1559758","8.1323","0.0002","8.1695","0.0002","19.3253","0.0004","90","","90.803","0.001","90","","1283.79","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0507","0.0448","","","0.1036","0.1067","","","","","","1.119","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559759","8.0314","0.0002","8.1488","0.0002","19.2027","0.0005","90","","90.5479","0.0017","90","","1256.69","0.05","100","","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0449","0.0378","","","0.0952","0.0998","","","","","","1.049","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559760","13.4226","0.0006","7.6316","0.0004","22.4832","0.0011","90","","90","","90","","2303.09","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0543","0.0413","","","0.0977","0.1046","","","","","","1.047","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559761","7.6118","0.0002","9.3656","0.0003","12.1634","0.0004","93.7306","0.0019","95.39","0.002","108.127","0.0018","816.35","0.04","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N3 O2.5 -","- C18 H26 N3 O2.5 -","- C36 H52 N6 O5 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0557","0.0428","","","0.1072","0.115","","","","","","1.039","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559762","7.1405","0.0003","8.577","0.0004","11.9704","0.0006","73.957","0.003","88.399","0.003","78.976","0.003","691.32","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O2 -","- C15 H21 N3 O2 -","- C30 H42 N6 O4 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0471","0.0395","","","0.0994","0.104","","","","","","1.045","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559763","7.0488","0.0002","8.6329","0.0003","12.6463","0.0005","88.989","0.002","74.751","0.002","77.777","0.002","725.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C34 H42 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0433","0.0378","","","0.0899","0.094","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559764","6.9675","0.0012","8.6877","0.0014","12.0676","0.0019","87.02","0.011","74.121","0.011","77.399","0.012","685.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0735","0.0466","","","0.102","0.114","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559765","22.0392","0.0006","22.0392","0.0006","7.1184","0.0002","90","","90","","120","","2994.36","0.14","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C135 H171 N27 O9 -","9","3","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0623","0.0444","","","0.0831","0.0905","","","","","","1.023","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559766","9.6859","0.0002","8.2156","0.0002","16.9618","0.0003","90","","106.12","0.001","90","","1296.67","0.05","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.053","0.0396","","","0.0968","0.1047","","","","","","1.014","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559767","8.3617","0.0003","13.8207","0.0006","16.0698","0.0006","90","","90","","90","","1857.1","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N6 O4 -","- C18 H26 N6 O4 -","- C72 H104 N24 O16 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0444","0.0355","","","0.0754","0.08","","","","","","1.018","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559768","14.0179","0.0005","13.6325","0.0005","22.7651","0.0007","90","","107.536","0.001","90","","4148.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0348","0.0337","","","0.0884","0.0896","","","","","","1.029","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559769","13.9524","0.0006","14.0942","0.0005","22.7794","0.0008","90","","106.433","0.0015","90","","4296.5","0.3","300","2","300","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0471","0.0372","","","0.0936","0.0993","","","","","","1.047","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559770","6.824","0.0008","14.6816","0.0018","21.469","0.003","90","","95.4","0.004","90","","2141.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1583","0.0572","","","0.1092","0.1405","","","","","","1.009","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559771","14.0444","0.0004","13.7744","0.0004","22.8418","0.0007","90","","107.59","0.001","90","","4212.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0439","0.0412","","","0.1098","0.1134","","","","","","1.025","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559772","19.158","0.0007","6.7794","0.0003","17.4666","0.0006","90","","109.362","0.001","90","","2140.25","0.14","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0585","0.0542","","","0.1407","0.1462","","","","","","1.034","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559773","6.6696","0.0002","14.9431","0.0005","21.3309","0.0007","90","","95.362","0.002","90","","2116.63","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.053","0.0492","","","0.1218","0.1266","","","","","","1.067","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559774","6.7928","0.0004","14.5649","0.0008","21.3902","0.0012","90","","95.7754","0.0016","90","","2105.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1748","0.0596","","","0.1075","0.1391","","","","","","1.017","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559775","6.6763","0.0005","15.0587","0.0011","21.4299","0.0015","90","","94.94","0.002","90","","2146.5","0.3","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1814","0.0542","","","0.0895","0.1229","","","","","","0.988","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559776","6.657","0.0003","14.852","0.0006","21.2537","0.0008","90","","95.721","0.001","90","","2090.88","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0507","0.0474","","","0.1231","0.1276","","","","","","1.066","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559777","19.0865","0.0008","6.767","0.0003","17.3518","0.0007","90","","109.354","0.001","90","","2114.48","0.16","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0391","0.0381","","","0.0991","0.1005","","","","","","1.045","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559778","6.6803","0.0002","15.0128","0.0005","21.3972","0.0007","90","","95.143","0.001","90","","2137.29","0.12","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0652","0.0588","","","0.1355","0.1439","","","","","","1.068","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559779","6.7657","0.0003","14.4934","0.0006","21.3307","0.001","90","","96.1667","0.0013","90","","2079.54","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.0755","0.0613","","","0.143","0.1503","","","","","","1.131","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559780","9.148","0.0004","22.6374","0.001","11.7158","0.0005","90","","105.813","0.002","90","","2334.37","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 -","- C30 H29 N3 -","- C120 H116 N12 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.047","0.0409","","","0.1089","0.1144","","","","","","1.027","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559781","19.1368","0.0008","6.7789","0.0003","17.4066","0.0008","90","","109.373","0.001","90","","2130.24","0.16","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0606","0.0585","","","0.1458","0.1484","","","","","","1.045","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559782","6.6613","0.0003","14.8875","0.0006","21.2797","0.0008","90","","95.554","0.002","90","","2100.4","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0566","0.0526","","","0.1318","0.1376","","","","","","1.063","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559783","19.2225","0.0009","6.7835","0.0003","17.5663","0.0008","90","","109.337","0.002","90","","2161.35","0.17","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0609","0.0572","","","0.1497","0.1549","","","","","","1.049","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559784","19.2767","0.0006","6.7799","0.0002","17.6615","0.0006","90","","109.29","0.001","90","","2178.67","0.12","301","2","301","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0629","0.058","","","0.1585","0.1661","","","","","","1.048","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559785","14.0331","0.0004","13.6998","0.0004","22.8049","0.0007","90","","107.555","0.001","90","","4180.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0372","0.0355","","","0.0945","0.0965","","","","","","1.037","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559786","32.5994","0.0018","32.7694","0.0018","35.206","0.002","104.753","0.003","98.873","0.003","104.933","0.003","34154","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H525 Ce4 Mo126 N21 Na4 O623 -","- C39 H44 Ce4 Mo126 N19.8 Na0.3 O525.336 -","- C78 H88 Ce8 Mo252 N39.6 Na0.6 O1050.67 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1904","0.1058","","","0.2596","0.3433","","","","","","1.014","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559787","34.8531","0.0017","45.172","0.002","20.9243","0.001","90","","90","","90","","32943","3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H521 Ce4 Mo124 N16 Na3 O616 -","- C36 H60 Ce4 Mo124 N16 O512.6 -","- C72 H120 Ce8 Mo248 N32 O1025.2 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0891","0.0593","","","0.1424","0.1622","","","","","","1.028","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559788","34.884","0.005","45.668","0.006","20.929","0.003","90","","90","","90","","33342","8","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H531 Ce4 Mo124 N16 Na3 O617 -","- C36 H60 Ce4 Mo124 N16 O486.4 -","- C72 H120 Ce8 Mo248 N32 O972.8 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0959","0.0686","","","0.1726","0.2051","","","","","","1.093","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559789","32.444","0.003","32.749","0.004","35.233","0.004","104.665","0.006","98.814","0.006","104.742","0.006","34063","7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H535 Ce4 Mo126 N24 Na3 O626 -","- C43.2 H45.6 Ce3.8 Mo125.834 N21 Na0.85 O515.35 -","- C86.4 H91.2 Ce7.6 Mo251.669 N42 Na1.7 O1030.7 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1479","0.0887","","","0.2247","0.2931","","","","","","1.106","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559790","34.6572","0.0014","45.43","0.0018","20.9741","0.0008","90","","90","","90","","33023","2","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C40 H516 Ce4 Mo124 N20 Na2 O610 -","- C32 H52 Ce4 Mo124 N16 O452 -","- C64 H104 Ce8 Mo248 N32 O904 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0336","0.0285","","","0.0678","0.0714","","","","","","1.022","","","","has coordinates","267090","2021-07-05","16:56:20",""
"1559791","38.1062","0.0017","38.2685","0.0016","46.9136","0.0019","90","","90","","90","","68413","5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H535 Ce5 Mo122 N20 Na2 O616 -","- C35 H48 Ce5 Mo122 N17.5 O507.25 -","- C140 H192 Ce20 Mo488 N70 O2029 -","4","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1091","0.0766","","","0.1927","0.2314","","","","","","1.086","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559792","9.10295","0.00012","9.10295","0.00012","9.10295","0.00012","90","","90","","90","","754.304","0.017","100","0.1","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- B6.001 H14.002 N2 -","- B6 H14.0002 N2.00016 -","- B24 H56.0006 N8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0105","0.0095","","","0.0234","0.0236","","","","","","0.9106","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559793","5.45095","0.00005","5.45095","0.00005","5.45095","0.00005","90","","90","","90","","161.963","0.003","100","1","99.97","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ca F2 -","- Ca0.99984 F2.00016 -","- Ca3.99936 F8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.56087","AgKα","","0.0114","0.0114","","","0.0279","0.0279","","","","","","1.0864","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559794","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0196","0.0196","","","0.0332","0.0332","","","","","","1.2147","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559795","16.2023","0.0011","16.2023","0.0011","5.6943","0.0004","90","","90","","120","","1294.57","0.15","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C6.286 H6 O2.57 -","- C6.285 H6 O2.57 -","- C56.565 H54 O23.13 -","9","0.5","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0162","0.0145","","","0.0332","0.0338","","","","","","1.1216","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559796","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.5259","synchrotron","","0.0158","0.0158","","","0.0308","0.0308","","","","","","1.2843","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559797","6.9196","0.0001","14.5749","0.0002","9.7248","0.0001","90","","90.637","0.001","90","","980.71","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F2 N4 -","- C10 H10 F2 N4 -","- C40 H40 F8 N16 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0288","0.0214","","","0.0454","0.0483","","","","","","1.0794","","","","has coordinates,has disorder","267059","2021-07-05","16:48:19",""
"1559798","10.8918","0.0001","13.7619","0.0001","17.0714","0.0002","90","","98.563","0.001","90","","2530.34","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Os P2 -","- C24 H44 Os P2 -","- C96 H176 Os4 P8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0143","0.0119","","","0.0185","0.0189","","","","","","1.0722","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559804","10.8235","0.0017","10.926","0.002","11.4404","0.0013","90","","94.553","0.013","90","","1348.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 Cl3 O2 -","- C26 H37 Cl3 O2 -","- C52 H74 Cl6 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.2008","0.1155","","","0.2549","0.3274","","","","","","1.132","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559805","11.5452","0.0014","6.0471","0.0007","16.751","0.002","90","","105.919","0.003","90","","1124.6","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O2 -","- C25 H38 O2 -","- C50 H76 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.105","0.0562","","","0.0569","0.0773","","","","","","0.967","","","","has coordinates","260432","2021-01-04","03:17:56",""
"1559806","20.7302","0.0008","27.0653","0.0011","8.4653","0.0004","90","","90","","90","","4749.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H40 O3 -","- C25 H40 O3 -","- C200 H320 O24 -","8","2","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.1207","0.063","","","0.1285","0.1516","","","","","","1.033","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559808","6.6263","0.0001","12.3911","0.0002","16.6583","0.0003","90","","90","","90","","1367.77","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0279","","","0.0718","0.0718","","","","","","1.1","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559809","22.252","0.002","6.8553","0.0006","8.7551","0.0008","90","","90","","90","","1335.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.1309","0.0815","","","0.1901","0.2334","","","","","","1.066","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559810","6.3065","0.0003","7.0893","0.0003","32.1064","0.0014","90","","90","","90","","1435.43","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0278","","","0.0763","0.0764","","","","","","1.064","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559812","6.8203","0.0008","8.6934","0.001","15.865","0.002","90","","90","","90","","940.66","0.19","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl α-<i>L</i>-sorboside","","- C8 H16 O6 -","- C8 H16 O6 -","- C32 H64 O24 -","4","1","BV4033","Nagayama, Natsumi; Taniguchi, Norito; Matsumoto, Mao; Takeshita, Kei; Ishii, Tomohiko","Ethyl α-<small>L</small>-sorboside","IUCrData","2020","5","12","x201625","","10.1107/S2414314620016259","","","1.54187","CuKα","","0.0398","0.0366","","","0.0891","0.0904","","","","","","1.073","","","","has coordinates,has Fobs","260019","2020-12-19","06:56:33",""
"1559813","10.4098","0.0005","21.2446","0.0011","21.6607","0.0012","68.899","0.003","86.272","0.003","81.935","0.003","4424.4","0.4","120","2","120","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C192 H192 O84 -","12","6","","Procházková, Eliška; Kucherak, Oleksandr; Stodůlková, Eva; Tošner, Zdeněk; Císařová, Ivana; Flieger, Miroslav; Kolařík, Miroslav; Baszczyňski, Ondřej","NMR Structure Elucidation of Naphthoquinones from Quambalaria cyanescens","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00930","","","1.54178","CuKα","","0.235","0.1091","","","0.2562","0.312","","","","","","1.236","","","","has coordinates","260022","2020-12-20","00:00:54",""
"1559814","6.1281","0.0002","27.1638","0.0005","28.2117","0.0007","90","","91.472","0.002","90","","4694.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 3-(((4S,5R)-2-oxo-4,5-diphenyloxazolidin-3-yl)methyl)pentanoate","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C224 H232 N8 O32 -","8","4","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0692","0.0553","","","0.1294","0.137","","","","","","1.037","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1559815","6.44725","0.00004","10.18619","0.00006","22.76512","0.00012","101.785","0.0005","91.4615","0.0005","98.5773","0.0005","1444.75","0.015","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","","Ethyl 2-((8R,9S,13S,14S,16S,17S)-17-((tert-butyldimethylsilyl)oxy)-3-methoxy- 13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C58 H92 O8 Si2 -","2","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0528","0.0501","","","0.138","0.1512","","","","","","1.081","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559816","6.1518","0.00006","60.5855","0.0006","6.15597","0.00007","90","","106.532","0.0011","90","","2199.54","0.04","90","0.9","90","0.9","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-((R)-5-oxotetrahydrofuran-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0486","0.0455","","","0.1155","0.1192","","","","","","1.035","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559817","11.5844","0.0005","12.7186","0.0005","19.132","0.0007","86.186","0.003","77.9","0.003","80.916","0.003","2720.03","0.19","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C59 H46 B F21 Mg N2 -","- C59 H46 B F21 Mg N2 -","- C118 H92 B2 F42 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0828","0.0535","","","0.1172","0.1324","","","","","","1.057","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559818","18.6127","0.0003","17.9643","0.0002","18.7424","0.0003","90","","102.994","0.0014","90","","6106.32","0.16","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B Br F20 Mg N2 -","- C65 H58 B Br F20 Mg N2 -","- C260 H232 B4 Br4 F80 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0321","0.0298","","","0.0735","0.0751","","","","","","1.026","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559819","18.3734","0.0001","18.0983","0.0001","19.7295","0.0001","90","","98.061","0.001","90","","6495.77","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H63 B F22 Mg N2 -","- C71 H63 B F22 Mg N2 -","- C284 H252 B4 F88 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0352","0.0307","","","0.0773","0.0792","","","","","","1.022","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559820","11.3521","0.0003","15.9191","0.0005","24.738","0.0007","74.924","0.003","85.545","0.002","89.29","0.002","4303.5","0.2","100","0.6","100","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C71 H63 Al2 F57 Mg N2 O6 -","- C71 H63 Al2 F57 Mg N2 O6 -","- C142 H126 Al4 F114 Mg2 N4 O12 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0452","0.04","","","0.1001","0.1046","","","","","","1.024","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559821","12.2177","0.0003","15.9583","0.0005","17.8965","0.0005","102.494","0.003","106.268","0.002","96.734","0.002","3210.89","0.17","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H56 B F23 Mg N2 -","- C71 H56 B F23 Mg N2 -","- C142 H112 B2 F46 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0462","0.0403","","","0.102","0.1069","","","","","","1.052","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559822","18.7237","0.0005","18.0226","0.0004","18.7649","0.0005","90","","102.692","0.003","90","","6177.5","0.3","100.02","0.16","100.02","0.16","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B F20 I Mg N2 -","- C65 H58 B F20 I Mg N2 -","- C260 H232 B4 F80 I4 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0569","0.0388","","","0.0844","0.0927","","","","","","1.021","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559823","15.8604","0.0011","11.0803","0.0008","9.0716","0.0006","90","","109.9","0.002","90","","1499.03","0.18","185","2","185.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0502","0.0393","","","0.1014","0.1105","","","","","","1.073","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559824","8.895","0.0008","12.069","0.001","15.1617","0.0015","103.06","0.003","94.575","0.003","103.138","0.003","1529.2","0.2","180","2","180.01","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.1146","0.0814","","","0.203","0.2294","","","","","","1.046","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559825","17.127","0.0009","8.8196","0.0004","21.3425","0.0012","90","","103.355","0.002","90","","3136.7","0.3","153","2","153.01","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C112 H128 F48 N16 P8 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.093","0.0634","","","0.1539","0.1767","","","","","","1.035","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559826","8.9095","0.0004","41.3302","0.0017","26.6661","0.0011","90","","90","","90","","9819.3","0.7","200","2","200.02","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C104 H100 Ag2 B2 N8 -","- C104 H100 Ag2 B2 N8 -","- C416 H400 Ag8 B8 N32 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0453","0.0361","","","0.087","0.0931","","","","","","1.051","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559827","8.0294","0.0008","19.1408","0.0016","19.9693","0.0018","90","","94.97","0.003","90","","3057.5","0.5","150","2","150.01","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C123 H89 F21 N18 O23 S7 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0988","0.0686","","","0.1876","0.2131","","","","","","1.05","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559828","9.2542","0.0012","15.7442","0.0018","9.9997","0.0013","90","","94.804","0.004","90","","1451.8","0.3","150","2","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N8 -","- C40 H28 N8 -","- C80 H56 N16 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0483","0.038","","","0.0905","0.0977","","","","","","1.058","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559829","6.4661","0.0011","8.1703","0.0013","10.3854","0.0017","69.264","0.005","78.354","0.005","79.8","0.006","499.2","0.14","180","2","179.98","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C28 H18 N4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0638","0.0588","","","0.1394","0.1432","","","","","","1.104","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559830","11.3377","0.0003","6.6047","0.0002","10.713","0.0003","90","","117.072","0.001","90","","714.32","0.04","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 K2 O7 Pr2 -","- B2 K2 O7 Pr2 -","- B8 K8 O28 Pr8 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and characterization of K2Pr2O(BO3)2: structural, spectroscopic and thermogravimetric investigations of a novel potassium praseodymium oxoborate structure-type","SN Applied Sciences","2020","2","4","747","","10.1007/s42452-020-2553-2","","","0.71073","MoKα","","0.0566","0.0318","","","0.0401","0.0438","","","","","","1.043","","","","has coordinates","260041","2020-12-21","16:12:51",""
"1559831","10.4282","0.0003","17.3029","0.0006","13.7515","0.0004","90","","110.286","0.001","90","","2327.39","0.13","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 K3 Lu3 O12 -","- B4 K3 Lu3 O12 -","- B32 K24 Lu24 O96 -","8","2","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)","Journal of Materials Science","2020","56","5","3639","3652","10.1007/s10853-020-05506-5","","","0.71073","MoKα","","0.0493","0.0295","","","0.0353","0.0381","","","","","","1.086","","","","has coordinates","260048","2020-12-21","17:03:17",""
"1559832","10.4601","0.0003","17.355","0.0005","13.7625","0.0004","90","","110.336","0.001","90","","2342.65","0.12","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 K3 O12 Yb3 -","- B4 K3 O12 Yb3 -","- B32 K24 O96 Yb24 -","8","2","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)","Journal of Materials Science","2020","56","5","3639","3652","10.1007/s10853-020-05506-5","","","0.71073","MoKα","","0.0316","0.0224","","","0.0375","0.0395","","","","","","1.131","","","","has coordinates","260049","2020-12-21","17:07:00",""
"1559841","20.8225","0.0005","6.4118","0.0002","17.4976","0.0004","90","","90","","90","","2336.1","0.11","301","2","301","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 Dy7 K3 Li3 O27 -","- B9 Dy7 K3 Li3 O27 -","- B36 Dy28 K12 Li12 O108 -","4","1","","Chen, P.Y.; Wang, Guirong","Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb)","Solid State Sciences","2020","108","","106442","","10.1016/j.solidstatesciences.2020.106442","","","0.71073","MoKα","","0.0152","0.0151","","","0.0367","0.0368","","","","","","1.277","","","","has coordinates","260058","2020-12-21","18:03:53",""
"1559842","20.9218","0.0009","6.442","0.0003","17.5285","0.0008","90","","90","","90","","2362.46","0.18","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 K3 Li3 O27 Tb7 -","- B9 K3 Li3 O27 Tb7 -","- B36 K12 Li12 O108 Tb28 -","4","1","","Chen, P.Y.; Wang, Guirong","Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb)","Solid State Sciences","2020","108","","106442","","10.1016/j.solidstatesciences.2020.106442","","","0.71073","MoKα","","0.0235","0.0195","","","0.0305","0.0313","","","","","","1.069","","","","has coordinates","260059","2020-12-21","18:04:55",""
"1559843","17.708","0.01","9.156","0.005","9.221","0.005","90","","90.16","0.008","90","","1495","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Bi4 Cs4 O30 P8 Sr2 -","- Bi4 Cs4 O30 P8 Sr2 -","- Bi8 Cs8 O60 P16 Sr4 -","2","0.5","","Guo, Shaoxing; Chen, Pengyun; Song, Limei; Guo, Ping; Gao, Jianhua","A new mixed-anion phosphate Cs2Bi2Sr(P2O7)(PO4)2: Synthesis, characterization, structure and its Eu3±activated luminescence","Journal of Solid State Chemistry","2020","288","","121411","","10.1016/j.jssc.2020.121411","","","0.71073","MoKα","","0.0427","0.038","","","0.0866","0.0892","","","","","","1.034","","","","has coordinates","260060","2020-12-21","18:16:06",""
"1559844","9.2496","0.0004","10.5381","0.0004","21.9181","0.0008","90","","90","","90","","2136.43","0.15","100","2","99.86","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 B P -","- C10 H20 B P -","- C80 H160 B8 P8 -","8","1","","Resendiz-Lara, Diego A.; Annibale, Vincent T.; Knights, Alastair W.; Chitnis, Saurabh S.; Manners, Ian","High Molar Mass Poly(alkylphosphinoboranes) via Iron-Catalyzed Dehydropolymerization","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02082","","","0.71073","MoKα","","0.052","0.0387","","","0.099","0.1063","","","","","","1.043","","","","has coordinates","260072","2020-12-22","00:38:14",""
"1559845","21.6511","0.0004","21.3564","0.0004","22.0916","0.0004","90","","90","","90","","10214.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C189 H28 S10 Th2 -","- C189 H28 S10.008 Th2 -","- C756 H112 S40.032 Th8 -","4","0.5","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.0305","0.0289","","","0.0748","0.0761","","","","","","1.06","","","","has coordinates,has disorder","267091","2021-07-05","16:56:32",""
"1559846","11.3037","0.0007","21.8879","0.0012","20.9098","0.0013","90","","101.257","0.003","90","","5073.9","0.5","120","2","119.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H14 S2 U -","- C93 H14 S2 U -","- C372 H56 S8 U4 -","4","1","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.1287","0.0957","","","0.2438","0.2823","","","","","","1.05","","","","has coordinates","267091","2021-07-05","16:56:32",""
"1559847","5.9196","0.0003","7.3562","0.0004","21.1126","0.0012","90","","90","","90","","919.36","0.09","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-<i>O</i>-Isopropylidene-β-D-<i>lyxo</i>-furanose","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","ZQ4044","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","0.71073","MoKα","","0.0566","0.0425","","","0.1004","0.1086","","","","","","1.028","","","","has coordinates,has Fobs","260117","2020-12-23","06:30:04",""
"1559848","5.9216","0.0003","7.3539","0.0004","21.1087","0.0012","90","","90","","90","","919.22","0.09","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","1.54178","CuKα","","0.0775","0.0303","","","0.0757","0.0895","","","","","","1.052","","","","has coordinates","260118","2020-12-23","06:30:24",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","260119","2020-12-23","06:30:58",""
"1559850","16.6461","0.0014","17.2299","0.0016","24.132","0.002","90","","102.636","0.004","90","","6753.7","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 B2 Fe N10 -","- C34.888 H35.888 B2 Fe N10 -","- C279.104 H287.104 B16 Fe8 N80 -","8","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0937","0.0441","","","0.1222","0.1395","","","","","","1.057","","","","has coordinates,has disorder","267085","2021-07-05","16:54:27",""
"1559851","12.5636","0.0009","13.684","0.001","20.5835","0.0017","98.128","0.005","100.359","0.005","115.218","0.005","3053.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H63 B4 Fe2 N20 -","- C65 H63 B4 Fe2 N20 -","- C130 H126 B8 Fe4 N40 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0888","0.0546","","","0.1325","0.1502","","","","","","1.036","","","","has coordinates","267085","2021-07-05","16:54:29",""
"1559852","11.98","0.0002","25.1657","0.0005","14.4893","0.0003","90","","114.204","0.001","90","","3984.3","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 B2 F6 Fe N10 Sb -","- C37 H38 B2 F6 Fe N10 Sb -","- C148 H152 B8 F24 Fe4 N40 Sb4 -","4","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0593","0.0447","","","0.1117","0.1195","","","","","","1.04","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559853","10.252","0.005","12.025","0.005","18.4","0.008","104.192","0.005","92.618","0.005","112.901","0.005","2000.4","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H41 B2 Br Fe N9 -","- C43 H41 B2 Br Fe N9 -","- C86 H82 B4 Br2 Fe2 N18 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.1238","0.0521","","","0.0779","0.0964","","","","","","0.997","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559854","8.245","0.0004","19.3287","0.001","18.0484","0.0009","90","","90","","90","","2876.3","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 F Fe N9 -","- C31 H29 B2 F Fe N9 -","- C124 H116 B8 F4 Fe4 N36 -","4","0.5","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.0657","0.0432","","","0.1125","0.1285","","","","","","1.073","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559855","18.7182","0.0007","24.1607","0.0011","23.662","0.0009","90","","98.957","0.003","90","","10570.5","0.7","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C45 H50 B2 Fe N10 O -","- C45 H50 B2 Fe N10 O -","- C360 H400 B16 Fe8 N80 O8 -","8","2","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0915","0.0677","","","0.1758","0.1953","","","","","","1.029","","","","has coordinates,has disorder","267085","2021-07-05","16:54:38",""
"1559856","9.294","0.0005","15.3277","0.0007","11.7365","0.0005","90","","107.92","0.002","90","","1590.82","0.13","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H50 B2 N2 Ni O2 P2 -","- C30 H49.532 B2 N2 Ni O2 P2 -","- C60 H99.064 B4 N4 Ni2 O4 P4 -","2","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.56087","AgKα","","0.0504","0.0425","","","0.0988","0.1029","","","","","","1.053","","","","has coordinates,has disorder","267094","2021-07-05","16:57:21",""
"1559857","9.273","0.002","18.201","0.004","11.69","0.003","90","","106.121","0.008","90","","1895.4","0.8","208","","208","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B2 N2 O4 -","- C20 H24 B2 N2 O4 -","- C80 H96 B8 N8 O16 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0702","0.0522","","","0.1393","0.1548","","","","","","1.047","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559858","17.5213","0.0007","20.1284","0.0007","12.3444","0.0005","90","","90","","90","","4353.6","0.3","193","","193","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H55 B2 N3 Ni O4 P2 -","- C36 H55 B2 N3 Ni O4 P2 -","- C144 H220 B8 N12 Ni4 O16 P8 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0479","0.0377","","","0.0884","0.0931","","","","","","1.005","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559859","22.532","0.002","11.3598","0.0009","26.302","0.002","90","","104.066","0.004","90","","6530.4","0.9","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 B2 N2 Ni O2 P2 -","- C30 H48 B2 N2 Ni O2 P2 -","- C240 H384 B16 N16 Ni8 O16 P16 -","8","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.065","0.0397","","","0.0807","0.0961","","","","","","1.149","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559860","8.3399","0.0004","27.1397","0.0012","11.0226","0.0005","90","","100.071","0.004","90","","2456.4","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 K O8 -","- C25 H31 K O8 -","- C100 H124 K4 O32 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.1199","0.1134","","","0.3001","0.3068","","","","","","1.045","","","","has coordinates","267050","2021-07-05","16:44:39",""
"1559861","14.2195","0.001","34.538","0.0019","13.8905","0.0009","90","","113.176","0.008","90","","6271.3","0.8","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H81 K2 N2 O14 -","- C66 H81 K2 N2 O14 -","- C264 H324 K8 N8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.151","0.1198","","","0.3097","0.3471","","","","","","1.053","","","","has coordinates","267050","2021-07-05","16:44:50",""
"1559862","14.237","0.0001","18.7126","0.0002","19.1013","0.0002","90","","90","","90","","5088.8","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 K2 O14 -","- C51 H69 K2 O14 -","- C204 H276 K8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.0415","0.0407","","","0.1069","0.1077","","","","","","1.028","","","","has coordinates","267050","2021-07-05","16:44:53",""
"1559865","9.5637","0.0003","9.5637","0.0003","36.3395","0.001","90","","90","","90","","3323.77","0.17","173","2","173.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","(+)-3-naphthoylcamphor","(1<i>R</i>,3<i>S</i>,4<i>R</i>)-1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","1","BV4034","Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.","1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","IUCrData","2020","5","12","x201662","","10.1107/S2414314620016624","","","1.54178","CuKα","","0.0455","0.0424","","","0.108","0.1102","","","","","","1.052","","","","has coordinates,has Fobs","260149","2020-12-25","05:40:25",""
"1559866","19.994","0.008","15.029","0.006","25.36","0.006","90","","94.394","0.01","90","","7598","5","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C130 H56 Cl0 Dy N4 Ni O0 S Sc -","- C130 H56 Dy N4 Ni S Sc -","- C520 H224 Dy4 N16 Ni4 S4 Sc4 -","4","1","","Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis","High blocking temperatures for DyScS endohedral fullerene single-molecule magnets","Chemical Science","2020","11","48","13129","13136","10.1039/D0SC05265E","","","0.71073","MoKα","","0.2615","0.1637","","","0.3514","0.3659","","","","","","1.488","","","","has coordinates,has disorder","260154","2020-12-26","01:40:24",""
"1559867","26.8856","0.0018","17.1624","0.0011","17.8103","0.0012","90","","106.578","0.003","90","","7876.4","0.9","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C256 H106 Dy2 N8 Ni2 S6 Sc2 -","- C256 H106 Dy2.0004 N8 Ni2 S6 Sc2.0004 -","- C512 H212 Dy4.0008 N16 Ni4 S12 Sc4.0008 -","2","0.25","","Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis","High blocking temperatures for DyScS endohedral fullerene single-molecule magnets","Chemical Science","2020","11","48","13129","13136","10.1039/D0SC05265E","","","0.71073","MoKα","","0.1966","0.1636","","","0.3708","0.3882","","","","","","1.647","","","","has coordinates,has disorder","260154","2020-12-26","01:40:25",""
"1559868","20.235","0.004","6.783","0.001","27.996","0.006","90","","90","","90","","3842.6","1.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Keinan-31","Pentakis(t-butylsulfido)corannulene","","- C40 H50 S5 -","- C40 H50 S5 -","- C160 H200 S20 -","4","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.127","0.0791","","","0.2085","0.2449","","","","","","1.155","","","","has coordinates","260155","2020-12-26","01:41:20",""
"1559869","10.37","0.002","21.376","0.004","14.87","0.003","90","","90.74","0.02","90","","3295.9","1.1","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","Keinan-43 polymorph B","Decakis(t-butylsulfido)corannulene","","- C60 H90 S10 -","- C60 H90 S10 -","- C120 H180 S20 -","2","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.2521","0.0968","","","0.2413","0.3063","","","","","","0.872","","","","has coordinates","260155","2020-12-26","01:41:21",""
"1559870","20.793","0.004","20.793","0.004","16.882","0.003","90","","90","","120","","6321","2","240","1","240","1","","","","","","","","4","P 3","P 3","143","Keinan-58 Polymorph A","Decakis(t-butylsulfido)corannulene","","- C60 H94.33 O2.33 S10 -","- C60 H94.33 O2.33 S10 -","- C180 H282.99 O6.99 S30 -","3","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.1836","0.0995","","","0.2371","0.2722","","","","","","1.427","","","","has coordinates","260155","2020-12-26","01:41:22",""
"1559871","13.389","0.0004","13.389","0.0004","13.389","0.0004","90","","90","","90","","2400.18","0.12","","","298","","","","100","","","","","3","P m -3 n","-P 4n 2 3","223","CO2-rich melanophlogite","","CO2-rich melanophlogite","- C8 O108 Si46 -","- C7.7 O92 Si46 -","- C7.7 O92 Si46 -","1","0.0208333","","Kanzaki, M.","CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy","Journal of Mineralogical and Petrological Sciences","2020","115","","471","478","10.2465/jmps.200611","","","","","","","","","","","","","","","","","","","","","has coordinates","260156","2020-12-26","02:05:00",""
"1559872","13.3849","0.0003","13.3849","0.0003","13.3849","0.0003","90","","90","","90","","2397.98","0.09","","","298","","","","100","","","","","3","P m -3 n","-P 4n 2 3","223","CO2-rich melanophlogite treated at 500 C 5 min","","CO2-rich melanophlogite treated at 500 C 5 min","- C8 O108 Si46 -","- C5.876 O92 Si46 -","- C5.876 O92 Si46 -","1","0.0208333","","Kanzaki, M.","CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy : treated at 500 C","Journal of Mineralogical and Petrological Sciences","2020","115","","471","478","10.2465/jmps.200611","","","","","","","","","","","","","","","","","","","","","has coordinates","260157","2020-12-26","02:05:32",""
"1559873","13.3619","0.0004","13.3619","0.0004","13.3619","0.0004","90","","90","","90","","2385.64","0.12","","","298","","","","100","","","","","2","P m -3 n","-P 4n 2 3","223","CO2-rich melanophlogite treated at 1000 C 24H","","CO2-rich melanophlogite treated at 1000 C 24H","- O108 Si46 -","- O92 Si46 -","- O92 Si46 -","1","0.0208333","","Kanzaki, M.","CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy : treated at 1000 C","Journal of Mineralogical and Petrological Sciences","2020","115","","471","478","10.2465/jmps.200611","","","","","","","","","","","","","","","","","","","","","has coordinates","260158","2020-12-26","02:06:02",""
"1559874","11.8889","0.0004","14.4911","0.0005","14.9954","0.0005","90","","104.794","0.002","90","","2497.81","0.15","144","2","144","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cl6 D2 N2 O10 -","- C54 H42 Cl6 D2 N2 O10 -","- C108 H84 Cl12 D4 N4 O20 -","2","0.5","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.0968","0.0869","","","0.2166","0.222","","","","","","1.079","","","","has coordinates,has disorder","267051","2021-07-05","16:45:04",""
"1559875","10.8152","0.0002","12.5754","0.0002","20.1202","0.0003","90","","90","","90","","2736.46","0.08","252","2","252","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O5 -","- C30 H27 N3 O5 -","- C120 H108 N12 O20 -","4","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.043","0.0363","","","0.0857","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267051","2021-07-05","16:45:05",""
"1559876","19.2448","0.0005","19.2448","0.0005","26.8461","0.0008","90","","90","","90","","9942.8","0.5","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C55 H46 Cl2 N2 O11 -","- C55 H46 Cl2 N2 O11 -","- C440 H368 Cl16 N16 O88 -","8","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","0.71073","MoKα","","0.0791","0.0477","","","0.1107","0.133","","","","","","1.019","","","","has coordinates","267051","2021-07-05","16:45:05",""
"1559877","22.585","0.003","8.3154","0.001","17.9361","0.0018","90","","106.893","0.006","90","","3223.1","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-((5',5'''?-(4,4,9,9-Tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']- dithiophene-2,7-diyl)bis([2,2'-bithiophene]-5',5-diyl))- bis(methanylylidene))dimalononitrile","","- C72 H82 N4 S6 -","- C72 H82 N4 S6 -","- C144 H164 N8 S12 -","2","0.5","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push‒pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1143","0.0603","","","0.1439","0.175","","","","","","1.014","","","","has coordinates,has Fobs","260186","2020-12-29","17:11:19",""
"1559878","11.4541","0.0003","13.8929","0.0003","22.6243","0.0006","86.6407","0.0015","80.1601","0.0014","69.4562","0.0012","3321.66","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","2,2'-((5',5'''?-(6,6,12,12-Tetraoctyl-6,12-dihydroindeno[1,2-b]- fluorene-2,8-diyl)bis([2'',2'''-bithiophene]-5'',5'-diyl))bis- (methanylylidene))dimalononitrile","","- C76 H86 N4 S4 -","- C76 H86 N4 S4 -","- C152 H172 N8 S8 -","2","1","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push‒pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1137","0.0951","","","0.2893","0.3025","","","","","","1.073","","","","has coordinates,has Fobs","260187","2020-12-29","17:11:34",""
"1559879","25.6206","0.0005","6.7854","0.0001","9.7945","0.0002","90","","109.419","0.001","90","","1605.87","0.05","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(aqua)-bis(formato)-cobalt [3,3'-bipyridine]-6,6'(1H,1'H)-dione","","- C12 H18 Co N2 O10 -","- C12 H18 Co N2 O10 -","- C48 H72 Co4 N8 O40 -","4","0.5","","Mohan, Midhun; Rana, Love Karan; Maris, Thierry; Duong, Adam","Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1'H-[3,3']bipyridinyl-6,6'-dione","Canadian Journal of Chemistry","2020","98","","347","351","10.1139/cjc-2019-0415","","x-ray","1.54178","CuKα","","0.0287","0.0253","","","0.0684","0.0712","","","","","","1.091","","","","has coordinates,has Fobs","260188","2020-12-29","17:38:26",""
"1559880","8.355","0.0004","10.408","0.0005","12.2948","0.0005","93.12","0.002","96.497","0.002","97.972","0.002","1049.33","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","(nitrato)-bis[6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine]-copper(ii) nitrate","","- C14 H14 Cu N16 O6 -","- C14 H14 Cu N16 O6 -","- C28 H28 Cu2 N32 O12 -","2","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam","Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production","Polyhedron","2020","180","","114412","","10.1016/j.poly.2020.114412","","x-ray","1.34139","GaKα","","0.0642","0.0623","","","0.1645","0.1677","","","","","","1.097","","","","has coordinates,has Fobs","260190","2020-12-29","18:42:54",""
"1559881","7.9534","0.0003","10.3562","0.0004","14.6063","0.0006","100.637","0.002","104.771","0.002","97.685","0.002","1122.45","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","(methanol)-(nitrato)-bis[6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine]-nickel(ii) nitrate","","- C15 H18 N16 Ni O7 -","- C15 H18 N16 Ni O7 -","- C30 H36 N32 Ni2 O14 -","2","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam","Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production","Polyhedron","2020","180","","114412","","10.1016/j.poly.2020.114412","","x-ray","1.34139","GaKα","","0.0594","0.0478","","","0.1144","0.1243","","","","","","1.038","","","","has coordinates,has Fobs","260191","2020-12-29","18:43:08",""
"1559882","7.6151","0.0002","12.9911","0.0004","17.461","0.0005","90","","90","","90","","1727.39","0.09","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1","17F4","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Moe, The S.; Chaturonrutsamee, Suppisak; Bunteang, Samreang; Kuhakarn, Chutima; Prabpai, Samran; Surawatanawong, Panida; Chairoungdua, Arthit; Suksen, Kanoknetr; Akkarawongsapat, Radeekorn; Limthongkul, Jitra; Napaswad, Chanita; Nuntasaen, Narong; Reutrakul, Vichai","Boesenmaxane Diterpenoids from Boesenbergia maxwellii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00629","","","1.54178","CuKα","","0.0747","0.0726","","","0.1912","0.1952","","","","","","1.046","","","","has coordinates","260215","2020-12-30","00:30:24",""
"1559883","11.8942","0.0002","24.6471","0.0004","14.7953","0.001","90","","110.06","0.008","90","","4074.2","0.4","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H36 B Cl3 F2 N2 O4 -","- C47 H36 B Cl3 F2 N2 O4 -","- C188 H144 B4 Cl12 F8 N8 O16 -","4","1","","Zatsikha, Yuriy V.; Blesener, Tanner S.; King, Alex J.; Healy, Andrew T.; Goff, Philip C.; Didukh, Natalia O.; Blank, David A.; Kovtun, Yuriy P.; Nemykin, Victor N.","Fully Conjugated Pyrene-BODIPY and Pyrene-BODIPY-Ferrocene Dyads and Triads: Synthesis, Characterization, and Selective Noncovalent Interactions with Nanocarbon Materials.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c10074","","","1.54187","CuKα","","0.1948","0.1027","","0.2312","0.1536","0.2312","","","","","","0.9563","","","","has coordinates","260216","2020-12-30","00:46:29",""
"1559884","12.1367","0.0006","14.2874","0.0006","14.5167","0.001","112.536","0.008","98.382","0.007","90.203","0.006","2295.3","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H43 B F2 N2 O4 -","- C63 H43 B F2 N2 O4 -","- C126 H86 B2 F4 N4 O8 -","2","1","","Zatsikha, Yuriy V.; Blesener, Tanner S.; King, Alex J.; Healy, Andrew T.; Goff, Philip C.; Didukh, Natalia O.; Blank, David A.; Kovtun, Yuriy P.; Nemykin, Victor N.","Fully Conjugated Pyrene-BODIPY and Pyrene-BODIPY-Ferrocene Dyads and Triads: Synthesis, Characterization, and Selective Noncovalent Interactions with Nanocarbon Materials.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c10074","","","0.71075","MoKα","","0.1701","0.0628","","0.2016","0.1058","0.2016","","","","","","1.0069","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559885","26.767","0.004","15.402","0.003","20.763","0.006","90","","124.29","0.004","90","","7072","3","273.15","","273.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C H Cd Cl N O Zn0.02 -","- C86 H80 Cl8 N42 O20 Zn2 -","- C172 H160 Cl16 N84 O40 Zn4 -","2","0.25","","Xu, Wei-Tao; Luo, Yang; Zhao, Wei-Wei; Liu, Ming; Luo, Guang-Yan; Fan, Ying; Lin, Rui-Lian; Tao, Zhu; Xiao, Xin; Liu, Jing-Xin","Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle","Journal of Agricultural and Food Chemistry","2020","","","","","10.1021/acs.jafc.0c05577","","x-ray","0.71073","MoKα","","0.1003","0.0801","","","0.2768","0.3001","","","","","","1.087","","","","has coordinates,has disorder","260273","2020-12-31","00:09:22",""
"1559886","13.8061","0.0005","10.1122","0.0004","15.8955","0.0006","90","","91.4245","0.0011","90","","2218.49","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N6 Ni2 O8 -","- C48 H50 N6 Ni2 O8 -","- C96 H100 N12 Ni4 O16 -","2","0.5","","Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong","Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.0c01117","","","0.71073","MoKα","","0.043","0.032","","","0.063","0.0679","","","","","","1.08","","","","has coordinates","260274","2020-12-31","00:19:05",""
"1559887","5.36239","0.00009","16.6313","0.0003","17.2165","0.0003","90","","90","","90","","1535.43","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 Ni O2 -","- C20 H14 N2 Ni O2 -","- C80 H56 N8 Ni4 O8 -","4","1","","Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong","Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.0c01117","","","1.54178","CuKα","","0.0245","0.0236","","","0.0607","0.0613","","","","","","1.078","","","","has coordinates","260275","2020-12-31","00:19:34",""
"1559890","6.2203","0.0004","17.3233","0.0009","11.9123","0.0006","90","","92.951","0.005","90","","1281.92","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-hydroxy-4-oxo-but-2-enoate; (3-methoxy-2-thienyl)methyl- [2-[(7R)-7-(2-pyridyl)-10-oxaspiro[4.5]decan-7-yl]ethyl]ammonium","","- C26 H34 N2 O6 S -","- C26 H34 N2 O6 S -","- C52 H68 N4 O12 S2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","","1.54184","CuKα","","0.0669","0.0543","","","0.1535","0.1715","","","","","","1.068","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559891","11.9345","0.0013","7.2394","0.0008","22.679","0.002","90","","99.029","0.011","90","","1935.2","0.4","293","2","293.15","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26 H25 O -","- C26 H25 O -","- C104 H100 O4 -","4","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0749","0.053","","","0.1194","0.1344","","","","","","1.046","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559892","9.4684","0.0006","10.1128","0.0006","11.1589","0.0009","111.746","0.007","114.773","0.007","91.316","0.005","880.77","0.13","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0685","0.0473","","","0.1125","0.1276","","","","","","1.03","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559896","27.827","0.0011","27.827","0.0011","21.2262","0.0007","90","","90","","120","","14234.3","0.9","100","","100","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","N2,N2',N2''-(2,4,6-trimethylbenzene-1,3,5-triyl) tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C27 H33 N33 -","- C27 H33 N33 -","- C162 H198 N198 -","6","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1187","0.0927","","","0.2953","0.3123","","","","","","1.025","","","","has coordinates,has disorder","260349","2021-01-02","01:34:21",""
"1559897","10.9174","0.0004","18.9758","0.0008","13.2699","0.0005","90","","93.486","0.002","90","","2743.99","0.18","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2-(4,6-diamino-1,3,5-triazin-2-yl) -N2-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate","","- C18 H31 N11 O3 S3 -","- C18 H31 N11 O3 S3 -","- C72 H124 N44 O12 S12 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0598","0.0573","","","0.1544","0.1573","","","","","","1.047","","","","has coordinates,has disorder","260350","2021-01-02","01:34:33",""
"1559898","25.072","0.004","13.115","0.002","20.79","0.003","90","","112.824","0.006","90","","6300.9","1.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2,N2'-(1,2-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate hydrate","","- C40 H70 N44 O11 S2 -","- C40 H70 N44 O11 S2 -","- C160 H280 N176 O44 S8 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0645","0.0637","","","0.1772","0.1779","","","","","","1.057","","","","has coordinates,has disorder","260351","2021-01-02","01:34:45",""
"1559899","16.7736","0.0004","21.5283","0.0005","22.2754","0.0005","90","","90","","90","","8043.8","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C26 H44 N22 O4 S4 -","- C26 H44 N22 O4 S4 -","- C208 H352 N176 O32 S32 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0716","0.0658","","","0.1926","0.1973","","","","","","1.038","","","","has coordinates,has disorder","260352","2021-01-02","01:34:58",""
"1559900","21.2871","0.0005","21.2871","0.0005","32.0541","0.0007","90","","90","","90","","14525","0.6","150","","150","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C18 H20 N22 -","- C18 H20 N22 -","- C144 H160 N176 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0815","0.0491","","","0.1487","0.1709","","","","","","0.956","","","","has coordinates","260354","2021-01-02","01:35:12",""
"1559901","22.6297","0.0005","16.5486","0.0004","21.7786","0.0005","90","","90","","90","","8155.9","0.3","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide unknown solvate","","- C24 H38 N22 O3 S3 -","- C24 H38 N22 O3 S3 -","- C192 H304 N176 O24 S24 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0879","0.0855","","","0.2383","0.2397","","","","","","1.079","","","","has coordinates,has disorder","260355","2021-01-02","01:35:23",""
"1559902","16.7222","0.0007","22.2116","0.0009","16.9061","0.0007","90","","119.267","0.002","90","","5477.8","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] benzene dimethyl sulfoxide solvate","","- C40 H62 N22 O5 S5 -","- C40 H62 N22 O5 S5 -","- C160 H248 N88 O20 S20 -","4","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0735","0.0699","","","0.2062","0.2088","","","","","","1.035","","","","has coordinates,has disorder","260356","2021-01-02","01:35:41",""
"1559903","29.648","0.003","34.503","0.003","17.411","0.0015","90","","107.839","0.004","90","","16954","3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N2,N2',N2''-(benzene-1,3,5-triyl)tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C24 H27 N33 -","- C24 H27 N33 -","- C192 H216 N264 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1043","0.0969","","","0.3721","0.3901","","","","","","1.083","","","","has coordinates","260357","2021-01-02","01:35:52",""
"1559904","10.6206","0.0003","14.3962","0.0004","19.5412","0.0006","90","","100.687","0.001","90","","2935.95","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-dihydrogen phosphinato)-(μ-methyl phosphito)-tetrakis(6-(2-pyridyl) -1,3,5-triazine-2,4-diamine)-di-iron dinitrate methanol solvate","","- C36.25 H50 Fe2 N26 O14.25 P2 -","- C36.25 H50 Fe2 N26 O14.25 P2 -","- C72.5 H100 Fe4 N52 O28.5 P4 -","2","0.5","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Design of a [FeFe] macrocyclic metallotecton for light-driven hydrogen evolution reaction","International Journal Of Hydrogen Energy","2020","45","","2699","2708","10.1016/j.ijhydene.2019.11.141","","x-ray","1.34139","GaKα","","0.0603","0.0564","","","0.1691","0.1739","","","","","","1.08","","","","has coordinates,has disorder","260360","2021-01-02","03:19:16",""
"1559917","15.8859","0.0003","18.0676","0.0003","29.0581","0.0005","90","","90","","90","","8340.3","0.3","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C46 H54 N4 O4 -","- C46 H54 N4 O4 -","- C368 H432 N32 O32 -","8","1","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.084","0.0657","","","0.1375","0.1483","","","","","","1.118","","","","has coordinates","260400","2021-01-03","22:55:11",""
"1559918","29.7268","0.0014","8.238","0.0005","14.9613","0.0008","90","","96.354","0.003","90","","3641.4","0.3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O6 -","- C42 H42 N4 O6 -","- C168 H168 N16 O24 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.11","0.0816","","","0.1521","0.165","","","","","","1.201","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559919","19.0748","0.0003","24.0435","0.0005","10.5241","0.0002","90","","100.108","0.001","90","","4751.7","0.15","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H46 N4 O -","- C65 H46 N4 O -","- C260 H184 N16 O4 -","4","1","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0993","0.0732","","","0.1659","0.1822","","","","","","1.072","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559920","13.3675","0.0002","17.592","0.0003","23.6397","0.0003","90","","103.771","0.001","90","","5399.34","0.14","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H103 Cl8 Hg4 N11 O -","- C114 H103 Cl8 Hg4 N11 O -","- C228 H206 Cl16 Hg8 N22 O2 -","2","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.065","0.0523","","","0.1275","0.1368","","","","","","1.028","","","","has coordinates,has disorder","260400","2021-01-03","22:55:13",""
"1559921","14.1838","0.0004","16.5506","0.0005","18.2325","0.0005","90","","107.324","0.001","90","","4085.9","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Cl4 Hg2 N4 -","- C42 H38 Cl4 Hg2 N4 -","- C168 H152 Cl16 Hg8 N16 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0528","0.0412","","","0.0853","0.0914","","","","","","1.173","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559922","24.931","0.0005","17.1047","0.0003","19.0875","0.0004","90","","118.802","0.001","90","","7132.7","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H50 Cl8 Hg3 N6 -","- C68 H50 Cl8 Hg3 N6 -","- C272 H200 Cl32 Hg12 N24 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0506","0.0393","","","0.081","0.0861","","","","","","1.069","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559923","11.5284","0.0002","13.0274","0.0002","17.2404","0.0002","90","","90","","90","","2589.25","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Asperginol A","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","x-ray","1.54184","CuKα","","0.0457","0.0405","","","0.1065","0.1118","","","","","","1.034","","","","has coordinates","260401","2021-01-04","00:29:35",""
"1559924","12.4336","0.0005","17.1372","0.0006","17.1518","0.0012","90","","110.001","0.006","90","","3434.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Asperginol B","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","2","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","","1.54184","CuKα","","0.0615","0.0527","","","0.1495","0.1632","","","","","","0.936","","","","has coordinates","260402","2021-01-04","00:29:57",""
"1559925","7.2637","0.0003","11.5713","0.0005","25.4564","0.001","90","","90","","90","","2139.62","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O8 -","- C23 H32 O8 -","- C92 H128 O32 -","4","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0262","0.0261","","","0.0676","0.0676","","","","","","1.048","","","","has coordinates","260403","2021-01-04","00:30:35",""
"1559926","8.3567","0.0002","8.3567","0.0002","54.4587","0.0014","90","","90","","90","","3803.09","0.16","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0278","0.0276","","","0.0731","0.0732","","","","","","1.037","","","","has coordinates","260404","2021-01-04","00:31:00",""
"1559930","9.9522","0.0005","7.8338","0.0004","10.6286","0.0005","90","","110.972","0.002","90","","773.75","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N'-bis(4-methoxybenzylidene) Ethylenediamine","(E,E)-N,N'-1,2-Ethanediylbis[1-(4-methoxyphenyl)methanimine]","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","","Ndiolene, Adrienne; Diop, Tidiane; Sembene Boye, Mouhamadou; Maris, Thierry; Diasse-Sar, Aminata","Synthesis, Spectroscopic Studies and Crystal Structures of N,N'-bis(4-methoxybenzylidene) Ethylenediamine and its New Cadmium(II) Complex","American Journal Of Heterocyclic Chemistry","2020","6","","30","35","10.11648/j.ajhc.20200602.13","","x-ray","1.54178","CuKα","","0.0448","0.0425","","","0.1156","0.1186","","","","","","1.07","","","","has coordinates,has Fobs","260456","2021-01-04","17:24:13",""
"1559962","12.9774","0.0005","14.6762","0.0007","16.775","0.0006","66.578","0.004","77.956","0.003","81.343","0.004","2859","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ~3~-oxido-heptamanganese(II,III) ethanol octasolvate","","- C98 H135 Mn7 N8 O40 -","- C84 H102 Mn7 N8 O33 -","- C84 H102 Mn7 N8 O33 -","1","0.5","BH4058","Saha, Arpita; Padgett, Clifford W.; LeMagueres, Pierre; Moncur, Kiana; Onajobi, Glory","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ3-oxido-heptamanganese(II,III) ethanol octasolvate","IUCrData","2020","6","1","","","10.1107/S2414314620016430","","x-ray","0.71073","MoKα","","0.0619","0.0479","","","0.1338","0.1412","","","","","","1.07","","","","has coordinates,has Fobs","260563","2021-01-06","05:56:53",""
"1559972","12.1056","0.0008","5.5177","0.0004","12.5617","0.0008","90","","90.063","0.002","90","","839.06","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 F N3 S -","- C7 H8 F N3 S -","- C28 H32 F4 N12 S4 -","4","1","","OSMAN, Uwaisulqarni M.; SILVARAJOO, Sharmili; BHAT, Irshad Ul Haq; RAZALI, Mohd Hasmizam; ROZAINI, Mohd Zul Helmi; RAVOOF, Thahira Begum S. A.","Crystal Structure of (<i>Z</i>)-4-[4-Fluorophenyl]thiosemicarbazide<sup>4</sup>","X-ray Structure Analysis Online","2020","36","0","49","50","10.2116/xraystruct.36.49","","","0.71073","MoKα","","0.0946","0.0549","","","0.1196","0.1377","","","","","","1.044","","","","has coordinates","260830","2021-01-07","07:21:47",""
"1559973","7.6002","0.0003","13.6714","0.0005","14.7436","0.0005","97.065","0.003","101.868","0.003","93.363","0.003","1482.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H40 Cl2 N2 Ni O4 -","- C29 H40 Cl2 N2 Ni O4 -","- C58 H80 Cl4 N4 Ni2 O8 -","2","1","","Lukyanov, Daniil A.; Borisova, Anna S.; Levin, Oleg V.","6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II)","Molbank","2020","2020","4","M1174","","10.3390/M1174","","x-ray","0.71073","MoKα","","0.051","0.0355","","","0.0759","0.0833","","","","","","1.043","","","","has coordinates","260831","2021-01-07","15:41:42",""
"1559974","8.882","0.0006","11.638","0.0007","18.0177","0.001","90","","100.305","0.002","90","","1832.42","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dimethoxy-7-phenyl-5H,7H-7λ4,14λ4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C22 H18 B N O5 -","- C22 H18 B N O5 -","- C88 H72 B4 N4 O20 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1052","0.06","","","0.1091","0.1243","","","","","","1.063","","","","has coordinates","260832","2021-01-07","16:06:01",""
"1559975","28.3","0.002","7.6129","0.0007","17.6359","0.0014","90","","121.819","0.004","90","","3228.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 B N O3 -","- C20 H14 B N O3 -","- C160 H112 B8 N8 O24 -","8","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1076","0.0663","","","0.139","0.1549","","","","","","1.128","","","","has coordinates","260833","2021-01-07","16:06:26",""
"1559976","11.1926","0.0005","10.5497","0.0005","15.8352","0.0008","90","","91.214","0.002","90","","1869.38","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dihydroxy-7-phenyl-5H,7H-7l4,14l4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C21 H18 B N O6 -","- C21 H18 B N O6 -","- C84 H72 B4 N4 O24 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.0533","0.0418","","","0.114","0.1203","","","","","","1.098","","","","has coordinates","260834","2021-01-07","16:06:49",""
"1559977","13.044","0.0008","9.8669","0.0006","18.6798","0.0011","90","","98.266","0.001","90","","2379.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B17 N2 Ni -","- C14 H29 B17 N2 Ni -","- C56 H116 B68 N8 Ni4 -","4","1","","Andreichuk, Ekaterina P.; Anufriev, Sergey A.; Suponitsky, Kyrill Yu; Sivaev, Igor B.","The First Nickelacarborane with <i>closo</i>-<i>nido</i> Structure.","Molecules (Basel, Switzerland)","2020","25","24","6009","","10.3390/molecules25246009","","","0.71073","MoKα","","0.0785","0.0408","","","0.0843","0.099","","","","","","1.02","","","","has coordinates","260835","2021-01-07","16:07:14",""
"1559984","14.315","0.004","21.977","0.006","26.509","0.009","90","","95.58","0.003","90","","8300","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Sm2-biph-K2","","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C336 H464 Fe8 K8 N16 Si16 Sm8 -","4","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0347","0.028","","","0.0611","0.0648","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559985","13.9723","0.0002","15.8539","0.0002","16.9858","0.0002","90","","90","","90","","3762.62","0.08","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(NNTBS)Yb(THF)3","","- C34 H62 Fe N2 O3 Si2 Yb -","- C34 H62 Fe N2 O3 Si2 Yb -","- C136 H248 Fe4 N8 O12 Si8 Yb4 -","4","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0397","0.0399","","","","","","1.033","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559986","11.5553","0.0005","12.3812","0.0006","12.4512","0.0006","112.215","0.005","96.684","0.004","113.262","0.004","1439.25","0.16","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","[(NNTBS)Yb(THF)]2","","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","1","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0845","0.0752","","","0.1838","0.1914","","","","","","1.064","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559987","15.0158","0.0004","15.8062","0.0004","28.2213","0.0007","83.357","0.002","79.591","0.002","66.665","0.002","6041.8","0.3","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","Sm2-biph-K2(18C6)2","","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C208 H364 Fe4 K4 N8 O36 Si8 Sm4 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.0748","0.0795","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559988","11.3145","0.0002","13.0374","0.0002","14.2432","0.0002","87.291","0.001","81.628","0.001","71.282","0.002","1968.71","0.06","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","(NNTBS)Yb(k3-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C68 H124 Fe2 N4 O12 Si4 Yb2 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0244","0.0214","","","0.0533","0.0545","","","","","","1.025","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559989","13.2467","0.0016","18.78","0.002","14.5436","0.0017","90","","100.579","0.001","90","","3556.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Yb2-K2-biph","","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C128 H212 Fe4 K4 N8 O4 Si8 Yb4 -","2","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0365","0.0297","","","0.0645","0.0667","","","","","","1.104","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559990","10.201","0.0003","33.0414","0.0012","12.1739","0.0003","90","","105.418","0.003","90","","3955.6","0.2","180","0.1","180","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(NNTSB)Yb(k4-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C136 H248 Fe4 N8 O24 Si8 Yb4 -","4","2","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.0829","0.0851","","","","","","1.017","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559991","26.9077","0.0006","7.4341","0.0003","11.4663","0.0016","90","","100.496","0.004","90","","2255.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FcNMe2SO3Heptene","","- C23 H35 Fe N O3 S -","- C23 H35 Fe N O3 S -","- C92 H140 Fe4 N4 O12 S4 -","4","1","","Bitter, Stefan; Schlötter, Moritz; Schilling, Markus; Krumova, Marina; Polarz, Sebastian; Winter, Rainer F.","Ferro-self-assembly: magnetic and electrochemical adaptation of a multiresponsive zwitterionic metalloamphiphile showing a shape-hysteresis effect.","Chemical science","2020","12","1","270","281","10.1039/d0sc05249c","","","0.71073","MoKα","","0.0682","0.0463","","","0.1012","0.1147","","","","","","1.082","","","","has coordinates","267044","2021-07-05","16:43:03",""
"1559997","9.7932","0.0005","13.0955","0.0006","19.8473","0.001","90","","93.9044","0.0018","90","","2539.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 Cl O2 P Pd -","- C23 H40 Cl O2 P Pd -","- C92 H160 Cl4 O8 P4 Pd4 -","4","1","","Kim, Daeun; Choi, Geunho; Kim, Weonjeong; Kim, Dongwook; Kang, Youn K.; Hong, Soon Hyeok","The site-selectivity and mechanism of Pd-catalyzed C(sp<sup>2</sup>)-H arylation of simple arenes.","Chemical science","2020","12","1","363","373","10.1039/d0sc05414c","","","0.71073","MoKα","","0.0629","0.0604","","","0.1539","0.1551","","","","","","1.225","","","","has coordinates","267048","2021-07-05","16:44:13",""
"1559998","17.6663","0.0002","16.9578","0.0002","26.7308","0.0003","90","","106.76","","90","","7667.88","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N5 Ni S2 U2 -","- C126 H53 N5 Ni S2 U2 -","- C504 H212 N20 Ni4 S8 U8 -","4","1","","Li, Xiaomeng; Roselló, Yannick; Yao, Yang-Rong; Zhuang, Jiaxin; Zhang, Xingxing; Rodríguez-Fortea, Antonio; de Graaf, Coen; Echegoyen, Luis; Poblet, Josep M.; Chen, Ning","U<sub>2</sub>N@<i>I</i> <sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster.","Chemical science","2020","12","1","282","292","10.1039/d0sc04677a","","","0.77484","synchrotron","","0.0393","0.0379","","","0.0979","0.0993","","","","","","1.035","","","","has coordinates,has disorder","267047","2021-07-05","16:44:06",""
"1559999","11.9921","0.0003","12.28439","0.00018","21.733","0.0005","94.518","0.0016","91.0356","0.0018","101.524","0.0016","3125.45","0.12","100","","100","","","","","","","","","9","P -1","-P 1","2","","bis(triphenylphosphine)-tris(phenylthiolate)-bispalladium-ruthenium-hexafluoroantimoniate-dichloromethane","","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C129 H119 Cl3 F12 P4 Pd4 Ru2 S6 Sb2 -","2","1","","Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni","""Bottled"" spiro-doubly aromatic trinuclear [Pd<sub>2</sub>Ru]<sup>+</sup> complexes.","Chemical science","2020","12","1","477","486","10.1039/d0sc04469e","","x-ray","0.7","synchrotron","","0.0541","0.054","","","0.1658","0.1659","","","","","","1.011","","","","has coordinates,has disorder","267049","2021-07-05","16:44:18",""
"1560000","10.215","0.004","30.038","0.009","10.723","0.004","90","","116.107","0.012","90","","2954.5","1.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Li N2 O P3 -","- C28 H46 Li N2 O P3 -","- C112 H184 Li4 N8 O4 P12 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0759","0.068","","","0.1758","0.1835","","","","","","1.024","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560001","11.6149","0.0006","16.6838","0.0008","20.0416","0.0009","90","","90.81","0.002","90","","3883.3","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C116.56 H197.12 Br4 Cl13.12 Cu4 N12 P12 Ti4 -","2","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0672","0.0428","","","0.0939","0.1094","","","","","","1.062","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560002","10.1219","0.0016","16.662","0.003","22.432","0.004","90","","99.27","0.003","90","","3733.8","1.1","115","","115","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 N2 O P3 Ti -","- C40 H38 Cl2 N2 O P3 Ti -","- C160 H152 Cl8 N8 O4 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0419","0.0316","","","0.0721","0.0784","","","","","","1.036","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560003","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1959","0.0708","","","0.1543","0.2049","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560004","16.455","0.0009","16.291","0.0008","22.0025","0.0012","90","","90","","90","","5898.2","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl3 N2 P3 Zr -","- C24 H38 Cl3 N2 P3 Zr -","- C192 H304 Cl24 N16 P24 Zr8 -","8","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0307","0.022","","","0.0503","0.054","","","","","","1.05","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560005","14.2921","0.0008","13.7871","0.0007","18.9179","0.001","90","","90","","90","","3727.7","0.3","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H49 Au Cl4 N3 P3 Ti -","- C29 H49 Au Cl4 N3 P3 Ti -","- C116 H196 Au4 Cl16 N12 P12 Ti4 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0293","0.0249","","","0.0497","0.0528","","","","","","1.235","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560006","11.8938","0.0012","12.0699","0.0011","27.548","0.003","82.319","0.004","80.357","0.005","70.217","0.004","3656.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","1","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0335","0.0277","","","0.0653","0.0681","","","","","","1.037","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560007","11.7665","0.0019","13.781","0.002","20.643","0.003","82.299","0.004","86.711","0.004","80.965","0.004","3273.7","0.9","115","","115","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C154 H140 B2 Cl4 N4 O4 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1179","0.0594","","","0.14","0.1675","","","","","","1.024","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560008","31.2123","0.0012","11.3573","0.0004","16.6578","0.0007","90","","111.69","0.001","90","","5486.9","0.4","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 Cu2 N4 P6 -","- C48 H76 Cu2 N4 P6 -","- C192 H304 Cu8 N16 P24 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0448","0.0302","","","0.0654","0.0711","","","","","","1.021","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560009","19.7139","0.0008","17.7743","0.0009","20.2496","0.0009","90","","112.411","0.001","90","","6559.6","0.5","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Cl N3 P3 Ti -","- C28 H47 Cl N3 P3 Ti -","- C224 H376 Cl8 N24 P24 Ti8 -","8","2","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0437","0.03","","","0.0675","0.0759","","","","","","1.059","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560010","11.1686","0.0013","15.39","0.002","16.608","0.002","90","","99.796","0.006","90","","2813","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl2 N2 P3 Ti -","- C24 H38 Cl2 N2 P3 Ti -","- C96 H152 Cl8 N8 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0395","0.0295","","","0.0624","0.0685","","","","","","1.086","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560011","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","","0.71073","MoKα","","0.1959","0.0693","","","0.1415","0.1892","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560012","12.4622","0.0007","22.1019","0.0012","15.1862","0.0005","90","","94.567","0.001","90","","4169.6","0.4","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Cl N3 P3 Ti -","- C47 H47 Cl N3 P3 Ti -","- C188 H188 Cl4 N12 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0651","0.0458","","","0.1056","0.1157","","","","","","1.028","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560133","10.077","0.004","5.678","0.003","13.478","0.006","90","","96.922","0.017","90","","765.6","0.6","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C38 H32 Br2 N2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0358","0.0299","","","0.0724","0.0749","","","","","","1.042","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560134","10.4093","0.0008","6.0139","0.0004","12.2223","0.001","90","","100.849","0.003","90","","751.45","0.1","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C34 H40 Cl2 N2 O2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0272","0.0261","","","0.0635","0.0644","","","","","","1.053","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560136","11.2876","0.0006","21.068","0.0011","9.751","0.0005","90","","106.139","0.003","90","","2227.5","0.2","223","2","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C100 H92 N12 O20 -","4","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","","1.54178","CuKα","","0.0813","0.0508","","","0.099","0.1146","","","","","","1.026","","","","has coordinates","267078","2021-07-05","16:52:21",""
"1560137","25.8801","0.0005","6.9453","0.0001","23.8077","0.0004","90","","116.121","0.002","90","","3842.25","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br Cl3 N2 O4 -","- C17 H14 Br Cl3 N2 O4 -","- C136 H112 Br8 Cl24 N16 O32 -","8","2","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0755","0.074","","","0.2007","0.2013","","","","","","1.11","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560138","17.4514","0.0004","4.6477","0.0001","35.608","0.0008","90","","102.334","0.002","90","","2821.46","0.11","93","","93","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0922","0.083","","","0.2263","0.2396","","","","","","1.078","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1560147","8.5666","0.0007","14.3257","0.0007","9.2306","0.0008","90","","112.196","0.01","90","","1048.86","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetraethyl naphthalene-1,4,5,8-tetracarboxylate","","- C22 H24 O8 -","- C22 H24 O8 -","- C44 H48 O16 -","2","0.5","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.1009","0.0779","","","0.2365","0.2609","","","","","","1.061","","","","has coordinates","267080","2021-07-05","16:52:54",""
"1560148","9.5351","0.0005","12.0414","0.0006","12.8133","0.0008","72.585","0.005","69.31","0.005","89.363","0.004","1305.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tetraethyl 2,3,6,7-tetrabromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H20 Br4 O8 -","- C22 H20 Br4 O8 -","- C44 H40 Br8 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0773","0.0426","","","0.0802","0.0937","","","","","","1.02","","","","has coordinates","267080","2021-07-05","16:52:57",""
"1560149","9.6364","0.0005","9.8092","0.0005","11.8602","0.0005","90","","90.442","0.004","90","","1121.06","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tetraethyl 2-bromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H23 Br O8 -","- C22 H23 Br O8 -","- C44 H46 Br2 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0863","0.0677","","","0.1502","0.161","","","","","","1.046","","","","has coordinates,has disorder","267080","2021-07-05","16:53:06",""
"1560150","12.0771","0.0006","13.4199","0.0006","18.1881","0.0009","75.562","0.002","80.992","0.002","87.013","0.002","2819.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H80 Cl N6 O6 -","- C65 H80 Cl N6 O6 -","- C130 H160 Cl2 N12 O12 -","2","1","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Marin-Luna, Marta; Diaz-Marin, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Cyclization of interlocked fumaramides into β-lactams: experimental and computational mechanistic assessment of the key intercomponent proton transfer and the stereocontrolling active pocket.","Chemical science","2020","12","2","747","756","10.1039/d0sc05757f","","","1.54178","CuKα","","0.0575","0.0532","","","0.1369","0.1408","","","","","","1.032","","","","has coordinates,has disorder","267070","2021-07-05","16:50:55",""
"1560178","12.1094","0.0005","11.0077","0.0004","9.4271","0.0003","90","","103.617","0.004","90","","1221.28","0.08","150","2","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Si2 -","- C26 H42 Si2 -","- C52 H84 Si4 -","2","0.5","","He, Tao; Wang, Guoqiang; Long, Peng-Wei; Kemper, Sebastian; Irran, Elisabeth; Klare, Hendrik F. T.; Oestreich, Martin","Intramolecular Friedel-Crafts alkylation with a silylium-ion-activated cyclopropyl group: formation of tricyclic ring systems from benzyl-substituted vinylcyclopropanes and hydrosilanes.","Chemical science","2020","12","2","569","575","10.1039/d0sc05553k","","x-ray","1.54184","CuKα","","0.0493","0.043","","","0.1145","0.1202","","","","","","1.053","","","","has coordinates,has disorder","267072","2021-07-05","16:51:23",""
"1560179","10.6538","0.0002","21.0744","0.0004","27.7419","0.0006","90","","90.186","0.0015","90","","6228.6","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H26 Al F20 N6 -","- C62 H26 Al F20 N6 -","- C248 H104 Al4 F80 N24 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.1137","0.0618","","","0.1447","0.1686","","","","","","0.99","","","","has coordinates","267077","2021-07-05","16:52:12",""
"1560180","13.3802","0.0009","15.1258","0.0009","17.4402","0.0015","90","","110.95","0.001","90","","3296.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 Al Cl2 F10 N3 O -","- C35 H21 Al Cl2 F10 N3 O -","- C140 H84 Al4 Cl8 F40 N12 O4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","0.71073","MoKα","","0.0422","0.0319","","","0.0728","0.0775","","","","","","1.019","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560181","9.8433","0.0003","10.2481","0.0003","20.401","0.0006","90","","103.193","0.0014","90","","2003.63","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H39 Al Cl F10 N3 O2.5 -","- C44 H39 Al Cl F10 N3 O2.5 -","- C88 H78 Al2 Cl2 F20 N6 O5 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0403","0.0361","","","0.0894","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267077","2021-07-05","16:52:13",""
"1560182","24.1574","0.0004","16.2905","0.0003","19.344","0.0003","90","","110.105","0.001","90","","7148.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H84 Al N10 -","- C88 H84 Al N10 -","- C352 H336 Al4 N40 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0651","0.0526","","","0.1364","0.1456","","","","","","0.995","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560183","14.7754","0.0011","14.9336","0.0011","14.0276","0.0008","90","","90","","90","","3095.2","0.4","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Co Ho N10 O8 -","- C26 H28 Co Ho N10 O8 -","- C104 H112 Co4 Ho4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0295","0.0288","","","0.0578","0.058","","","","","","1.217","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560184","14.872","0.0003","15.2339","0.0003","14.1487","0.0003","90","","90","","90","","3205.51","0.11","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho Ir N10 O8 -","- C26 H28 Ho Ir N10 O8 -","- C104 H112 Ho4 Ir4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71073","MoKα","","0.0225","0.0187","","","0.0448","0.0462","","","","","","1.094","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560185","14.8236","0.0006","15.1198","0.0008","14.066","0.0007","90","","90","","90","","3152.6","0.3","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho N10 O8 Rh -","- C26 H28 Ho N10 O8 Rh -","- C104 H112 Ho4 N40 O32 Rh4 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0682","0.0574","","","0.0935","0.0969","","","","","","1.175","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560189","6.0794","0.0006","23.851","0.002","6.5545","0.0006","90","","114.294","0.003","90","","866.24","0.14","119.98","","119.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0515","0.0473","","","0.1141","0.1184","","","","","","1.062","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560190","10.2859","0.0006","10.6455","0.0006","7.6374","0.0005","90","","90","","90","","836.28","0.09","120.03","","120.03","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0614","0.0414","","","0.0856","0.0977","","","","","","1.046","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560191","12.4596","0.0007","7.5335","0.0005","10.8814","0.0007","90","","92.749","0.002","90","","1020.2","0.11","119.99","","119.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0563","0.0409","","","0.1117","0.1264","","","","","","1.048","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560192","9.4978","0.0007","19.9607","0.0013","11.2962","0.0008","90","","91.786","0.002","90","","2140.5","0.3","120.04","","120.04","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","2","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0835","0.0523","","","0.134","0.1609","","","","","","1.036","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560196","5.0788","0.0004","5.0788","0.0004","14.086","0.002","90","","90","","120","","314.66","0.06","293","","","","","","","","","","Noerdlinger Ries","4","R -3 :H","-R 3","148","","Irontitanate","wangdaodeite","- Fe5.52 Mn0.48 O18 Ti6 -","- Fe5.52 Mn0.48 O18 Ti3 -","- Fe5.52 Mn0.48 O18 Ti3 -","1","0.0555556","","Oliver Tschauner; Chi Ma; Matthew G. Newville; Antonio Lanzirotti","Structure Analysis of Natural Wangdaodeite-LiNbO3-Type FeTiO3","Minerals","2020","10","","1072","","10.3390/min10121072","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","261196","2021-01-25","10:40:23",""
"1560435","16.88","0.003","16.88","0.003","16.88","0.003","90","0.03","90","0.03","90","0.03","4809.7","1.5","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C96 H120 N48 Zn12 -","- C96 H120 N48 Zn12 -","- C96 H120 N48 Zn12 -","1","0.0208333","","Banihashemi, Fateme; Bu, Guanhong; Thaker, Amar; Williams, Dewight; Lin, Jerry Y S; Nannenga, Brent L","Beam-sensitive metal-organic framework structure determination by microcrystal electron diffraction.","Ultramicroscopy","2020","216","","113048","","10.1016/j.ultramic.2020.113048","","","1","","","0.1779","0.1348","","","0.3253","0.3411","","","","","","1.011","","","","has coordinates","262010","2021-02-16","19:59:29",""
"1561971","5.5998","0.001","7.725","0.001","5.4368","0.001","90","","90","","90","","235.19","0.07","13","","13","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0287","1.1261","","","","","","","has coordinates","264373","2021-04-21","10:31:16",""
"1561972","5.597","0.001","7.7426","0.001","5.4457","0.001","90","","90","","90","","235.99","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0285","1.0124","","","","","","","has coordinates","264374","2021-04-21","10:31:26",""
"1561973","5.5992","0.001","7.7265","0.001","5.4372","0.001","90","","90","","90","","235.23","0.07","76","","76","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0282","1.0945","","","","","","","has coordinates","264375","2021-04-21","10:31:34",""
"1562559","3.002","","5.018","","4.684","","90","","90","","90","","70.56","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mo2.5 Nb5 Ti92.5 -","- Mo0.025 Nb0.05 Ti0.925 -","- Mo0.1 Nb0.2 Ti3.7 -","4","0.25","","Myslyvchenko, Oleksandr; Bondar, Anatolii; Petyukh, Vasylii; Tikhonova, Irina; Tsyganenko, Natalia","Structure of orthorhombic martensite in the Ti92.5Nb5Mo2.5 alloy, its deformation and thermal stability","Materials Letters","2020","277","","128267","128270","10.1016/j.matlet.2020.128267","","","","","","","","","","","","","","","","","","","","","has coordinates","265254","2021-05-16","18:35:21",""
"1563998","12.8659","0.0006","13.4894","0.0007","14.2629","0.0007","98.869","0.002","106.802","0.002","115.474","0.002","2025.19","0.18","300","","300","","","","","","","","","7","P -1","-P 1","2","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H) -selonato-κSe](η6-p-cymene)-ruthenium(II)","","- C34 H56 Cl2 N2 O8 Ru2 Se2 -","- C34 H56 Cl2 N2 O8 Ru2 Se2 -","- C68 H112 Cl4 N4 O16 Ru4 Se4 -","2","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.036","0.0293","","","0.0676","0.0708","","","","","","1.036","","","","has coordinates","267324","2021-07-07","08:43:59",""
"1563999","7.1172","0.0004","8.2231","0.0005","11.2069","0.0006","109.332","0.002","95.12","0.003","107.446","0.002","577.35","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-3-hydroxy-2-methylpyridine-4(1H)-selenone","","- C13 H13 N O Se -","- C13 H13 N O Se -","- C26 H26 N2 O2 Se2 -","2","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0266","0.0247","","","0.062","0.0632","","","","","","1.078","","","","has coordinates","267325","2021-07-07","08:45:49",""
"1564000","11.0446","0.0002","13.7729","0.0003","14.6711","0.0003","65.8221","0.0007","83.8468","0.0008","73.2802","0.0008","1949.72","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)- selonato-κSe](η6-p-cymene)-osmium(II)","","- C34 H48 Cl2 N2 O4 Os2 Se2 -","- C34 H48 Cl2 N2 O4 Os2 Se2 -","- C68 H96 Cl4 N4 O8 Os4 Se4 -","2","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0294","0.0249","","","0.054","0.0561","","","","","","1.027","","","","has coordinates,has disorder","267327","2021-07-07","08:50:11",""
"1564001","14.4035","0.0002","17.2052","0.0003","16.2493","0.0003","90","","90","","90","","4026.82","0.12","100","","100","","","","","","","","","7","P n n a","-P 2a 2bc","52","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-selonato- κSe](η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)","","- C34 H46 Cl2 Ir2 N2 O2 Se2 -","- C34 H46 Cl2 Ir2 N2 O2 Se2 -","- C136 H184 Cl8 Ir8 N8 O8 Se8 -","4","0.5","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0771","0.0639","","","0.1268","0.1314","","","","","","1.219","","","","has coordinates,has disorder","267329","2021-07-07","08:52:51",""
"1564002","14.9231","0.0004","16.3404","0.0004","23.6648","0.0008","90","","101.619","0.0014","90","","5652.4","0.3","90","","90","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-selonato- κSe](η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)","","- C47 H56 Cl4 Ir2 N2 O2 Se2 -","- C47 H56 Cl4 Ir2 N2 O2 Se2 -","- C188 H224 Cl16 Ir8 N8 O8 Se8 -","4","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0359","0.0282","","","0.0543","0.0569","","","","","","1.038","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564003","9.3878","0.0001","32.3378","0.0003","10.3973","0.0001","90","","100.801","0.001","90","","3100.5","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H66 Cl N13 Nd2 O30 -","- C50 H64 Cl N13 Nd2 O30 -","- C100 H128 Cl2 N26 Nd4 O60 -","2","1","","Dong, Ying-Ling; Sun, Hong-Zhi; Teng, Bao-Shan; Ma, Yuan-Jun; Wang, Xing; Wu, Ben-Lai","Homochiral lanthanide metal‒organic frameworks based on amino acid-functionalized terpyridyl ligand: synthesis, structure determination, and optical properties","Inorganica Chimica Acta","2020","513","","119931","","10.1016/j.ica.2020.119931","","","1.54184","CuKα","","0.0492","0.0457","","","0.1223","0.1256","","","","","","1.063","","","","has coordinates","267333","2021-07-07","09:00:10",""
"1564004","9.3878","0.0001","32.3383","0.0003","10.3975","0.0001","90","","100.802","0.001","90","","3100.6","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H66 Cl N13 O30 Pr2 -","- C50 H56 Cl N13 O30 Pr2 -","- C100 H112 Cl2 N26 O60 Pr4 -","2","1","","Dong, Ying-Ling; Sun, Hong-Zhi; Teng, Bao-Shan; Ma, Yuan-Jun; Wang, Xing; Wu, Ben-Lai","Homochiral lanthanide metal‒organic frameworks based on amino acid-functionalized terpyridyl ligand: synthesis, structure determination, and optical properties","Inorganica Chimica Acta","2020","513","","119931","","10.1016/j.ica.2020.119931","","","1.54184","CuKα","","0.0864","0.0728","","","0.2558","0.2651","","","","","","1.161","","","","has coordinates","267333","2021-07-07","09:00:16",""
"1564005","14.4154","0.0007","10.4109","0.0004","21.8501","0.0011","90","","90","","90","","3279.2","0.3","140","2","140","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H24 Bi2 Br2 Cl9 N3 -","- C18 H24 Bi2 Br2 Cl9 N3 -","- C72 H96 Bi8 Br8 Cl36 N12 -","4","1","","Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Fedin, Vladimir P.; Sokolov, Maxim N.; Adonin, Sergey A.","Hybrid chlorobismuthate(III) “trapping” Br2 unit: Crystal structure and theoretical investigation of non-covalent Cl⋯Br interactions in (1-MePy)3{[Bi2Cl9](Br2)}","Inorganica Chimica Acta","2020","513","","119932","","10.1016/j.ica.2020.119932","","","0.71073","MoKα","","0.0466","0.0387","","","0.0834","0.0893","","","","","","1.031","","","","has coordinates","267334","2021-07-07","09:05:16",""
"1564006","10.913","0.0005","13.304","0.0006","14.672","0.0008","66.246","0.005","69.905","0.004","66.909","0.004","1749.39","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 N6 Ni1.5 O10 -","- C31 H33 N6 Ni1.5 O10 -","- C62 H66 N12 Ni3 O20 -","2","1","","He, Yuan-Chun; Wang, Yan; Zhao, Fang-Hua; Wang, Yu-Chen; Wang, Ke-Xin; Yang, Hong-Kun; Xu, Na","Syntheses, structures and properties of two Ni(II) coordination polymers based on an anionic ligand deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and different neutral ligands","Inorganica Chimica Acta","2020","513","","119930","","10.1016/j.ica.2020.119930","","","0.71069","MoKα","","0.079","0.0594","","","0.1691","0.1866","","","","","","1.067","","","","has coordinates","267335","2021-07-07","09:08:54",""
"1564007","10.174","0.0008","11.889","0.0009","17.943","0.0014","95.068","0.006","96.164","0.007","104.075","0.007","2078.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N6 Ni1.5 O13 -","- C37 H36 N6 Ni1.5 O13 -","- C74 H72 N12 Ni3 O26 -","2","1","","He, Yuan-Chun; Wang, Yan; Zhao, Fang-Hua; Wang, Yu-Chen; Wang, Ke-Xin; Yang, Hong-Kun; Xu, Na","Syntheses, structures and properties of two Ni(II) coordination polymers based on an anionic ligand deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and different neutral ligands","Inorganica Chimica Acta","2020","513","","119930","","10.1016/j.ica.2020.119930","","","0.71069","MoKα","","0.2017","0.0886","","","0.1158","0.1553","","","","","","0.944","","","","has coordinates","267335","2021-07-07","09:08:55",""
"1564008","14.82","0.0008","32.601","0.003","19.2529","0.0012","90","","90","","90","","9302","1.1","150","0.1","150","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H27 N12 O12 Zn2 -","- C36 H27 N12 O12 Zn2 -","- C288 H216 N96 O96 Zn16 -","8","1","","Li, Ling; Deng, Zhao-Yang; Xie, Xin; Zou, Ji-Yong; You, Sheng-Yong; Chen, Kai-Hong; Le, Jin-Feng","A luminescent zinc(II) coordination polymer as a highly selective and sensitive chemosensor for Fe(III) cation and Cr(VI) anions detection in aqueous solution","Inorganica Chimica Acta","2020","513","","119940","","10.1016/j.ica.2020.119940","","x-ray","1.54184","CuKα","","0.1481","0.134","","","0.3285","0.349","","","","","","1.057","","","","has coordinates,has disorder","267336","2021-07-07","09:14:13",""
"1564009","13.1496","0.0004","7.0195","0.0002","11.7924","0.0004","90","","106.259","0.003","90","","1044.95","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","","Li, Ling; Deng, Zhao-Yang; Xie, Xin; Zou, Ji-Yong; You, Sheng-Yong; Chen, Kai-Hong; Le, Jin-Feng","A luminescent zinc(II) coordination polymer as a highly selective and sensitive chemosensor for Fe(III) cation and Cr(VI) anions detection in aqueous solution","Inorganica Chimica Acta","2020","513","","119940","","10.1016/j.ica.2020.119940","","x-ray","1.54184","CuKα","","0.047","0.0425","","","0.1078","0.114","","","","","","1.068","","","","has coordinates","267336","2021-07-07","09:14:13",""
"1564010","21.2337","0.0016","8.9252","0.0007","43.983","0.003","90","","97.475","0.002","90","","8264.6","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H76 Cl4 N8 O20 Zn2 -","- C82 H76 Cl4 N8 O20 Zn2 -","- C328 H304 Cl16 N32 O80 Zn8 -","4","0.5","","Nnabuike, Ginikachukwu Grace; Salunke-Gawali, Sunita; Patil, Archana S.; Butcher, Ray J.; Obaleye, Joshua Ayoola","Synthesis and structures of tetrahedral zinc(II) complexes bearing indomethacin and nitrogen donor ligands","Inorganica Chimica Acta","2020","513","","119941","","10.1016/j.ica.2020.119941","","","0.71073","MoKα","","0.1143","0.0665","","","0.1481","0.1674","","","","","","1.065","","","","has coordinates","267337","2021-07-07","09:19:35",""
"1564011","8.9428","0.0007","11.0258","0.0009","22.7888","0.0019","91.001","0.003","96.617","0.002","107.629","0.002","2124","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Cl2 N4 O8 Zn -","- C48 H38 Cl2 N4 O8 Zn -","- C96 H76 Cl4 N8 O16 Zn2 -","2","1","","Nnabuike, Ginikachukwu Grace; Salunke-Gawali, Sunita; Patil, Archana S.; Butcher, Ray J.; Obaleye, Joshua Ayoola","Synthesis and structures of tetrahedral zinc(II) complexes bearing indomethacin and nitrogen donor ligands","Inorganica Chimica Acta","2020","513","","119941","","10.1016/j.ica.2020.119941","","","0.71073","MoKα","","0.1093","0.0518","","","0.0808","0.0949","","","","","","1.008","","","","has coordinates","267338","2021-07-07","09:21:20",""
"1564012","11.2578","0.0009","19.5617","0.0015","20.9102","0.0017","90","","100.917","0.002","90","","4521.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl2 N4 O8 Zn -","- C50 H38 Cl2 N4 O8 Zn -","- C200 H152 Cl8 N16 O32 Zn4 -","4","1","","Nnabuike, Ginikachukwu Grace; Salunke-Gawali, Sunita; Patil, Archana S.; Butcher, Ray J.; Obaleye, Joshua Ayoola","Synthesis and structures of tetrahedral zinc(II) complexes bearing indomethacin and nitrogen donor ligands","Inorganica Chimica Acta","2020","513","","119941","","10.1016/j.ica.2020.119941","","","0.71073","MoKα","","0.1014","0.0506","","","0.1086","0.1275","","","","","","1.024","","","","has coordinates,has disorder","267339","2021-07-07","09:24:24",""
"1564013","7.7814","0.0009","7.8017","0.0008","14.9217","0.0016","94.595","0.005","98.726","0.005","92.552","0.005","891.03","0.17","99.95","","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cu N6 O5 -","- C38 H42 Cu N6 O5 -","- C38 H42 Cu N6 O5 -","1","0.5","","Shamle, Nathaniel J.; Tella, Adedibu C.; Obaleye, Joshua A.; Balogun, Fatai O.; Ashafa, Anofi O.T.; Ajibade, Peter A.","Synthesis, characterization, antioxidant and antidiabetic studies of Cu(II) and Zn(II) complexes of tolfenamic acid/mefenamic acid with 1-methylimidazole","Inorganica Chimica Acta","2020","513","","119942","","10.1016/j.ica.2020.119942","","","0.71073","MoKα","","0.037","0.0363","","","0.1089","0.1094","","","","","","1.047","","","","has coordinates,has disorder","267340","2021-07-07","09:29:38",""
"1564014","10.848","0.0008","34.521","0.003","7.8896","0.0006","90","","105.741","0.003","90","","2843.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl2 N4 O4 Zn -","- C32 H28 Cl2 N4 O4 Zn -","- C128 H112 Cl8 N16 O16 Zn4 -","4","1","","Shamle, Nathaniel J.; Tella, Adedibu C.; Obaleye, Joshua A.; Balogun, Fatai O.; Ashafa, Anofi O.T.; Ajibade, Peter A.","Synthesis, characterization, antioxidant and antidiabetic studies of Cu(II) and Zn(II) complexes of tolfenamic acid/mefenamic acid with 1-methylimidazole","Inorganica Chimica Acta","2020","513","","119942","","10.1016/j.ica.2020.119942","","","0.71073","MoKα","","0.0337","0.0302","","","0.0704","0.0718","","","","","","1.083","","","","has coordinates","267341","2021-07-07","09:30:38",""
"1564015","17.1782","0.0016","12.2459","0.0011","8.0393","0.0007","90","","99.332","0.004","90","","1668.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl Cu0.5 N3 O2 -","- C18 H17 Cl Cu0.5 N3 O2 -","- C72 H68 Cl4 Cu2 N12 O8 -","4","1","","Shamle, Nathaniel J.; Tella, Adedibu C.; Obaleye, Joshua A.; Balogun, Fatai O.; Ashafa, Anofi O.T.; Ajibade, Peter A.","Synthesis, characterization, antioxidant and antidiabetic studies of Cu(II) and Zn(II) complexes of tolfenamic acid/mefenamic acid with 1-methylimidazole","Inorganica Chimica Acta","2020","513","","119942","","10.1016/j.ica.2020.119942","","","0.71073","MoKα","","0.034","0.0291","","","0.0726","0.0755","","","","","","1.053","","","","has coordinates","267342","2021-07-07","09:32:01",""
"1564016","18.6482","0.0012","13.4928","0.0009","19.1516","0.0012","90","","100.263","0.001","90","","4741.8","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl N4 O6 Zn -","- C22 H29 Cl N4 O6 Zn -","- C176 H232 Cl8 N32 O48 Zn8 -","8","2","","Rezaeivala, Majid; Ahmadi, Musa; Captain, Burjor; Bayat, Mehdi; Saeidirad, Mahdi; Şahin-Bölükbaşı, Serap; Yıldız, Batuhan; Gable, Robert William","Some new morpholine-based Schiff-base complexes; Synthesis, characterization, anticancer activities and theoretical studies","Inorganica Chimica Acta","2020","513","","119935","","10.1016/j.ica.2020.119935","","","0.71073","MoKα","","0.0685","0.0385","","","0.0942","0.1065","","","","","","1.018","","","","has coordinates,has disorder","267343","2021-07-07","09:43:06",""
"1564017","8.8867","0.0015","11.3521","0.0019","14.071","0.002","83.977","0.003","79.946","0.003","89.994","0.003","1389.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cl2 N4 Ni O11 -","- C22 H32 Cl2 N4 Ni O11 -","- C44 H64 Cl4 N8 Ni2 O22 -","2","1","","Rezaeivala, Majid; Ahmadi, Musa; Captain, Burjor; Bayat, Mehdi; Saeidirad, Mahdi; Şahin-Bölükbaşı, Serap; Yıldız, Batuhan; Gable, Robert William","Some new morpholine-based Schiff-base complexes; Synthesis, characterization, anticancer activities and theoretical studies","Inorganica Chimica Acta","2020","513","","119935","","10.1016/j.ica.2020.119935","","","0.71073","MoKα","","0.0815","0.0489","","","0.1237","0.1415","","","","","","1.051","","","","has coordinates,has disorder","267344","2021-07-07","09:44:34",""
"1564024","7.168","0.002","9.922","0.003","13.038","0.004","95.413","0.003","96.069","0.003","99.13","0.003","904.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Co2 N4 O18 -","- C40 H26 Co2 N4 O18 -","- C40 H26 Co2 N4 O18 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.0306","0.027","","","0.0738","0.076","","","","","","1.06","","","","has coordinates","267371","2021-07-08","06:50:21",""
"1564025","7.09","0.0009","9.9369","0.0008","12.9142","0.0013","95.119","0.001","95.24","0.001","98.968","0.002","890","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N4 Ni2 O18 -","- C40 H26 N4 Ni2 O18 -","- C40 H26 N4 Ni2 O18 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","1.54178","CuKα","","0.0875","0.0524","","","0.1032","0.1203","","","","","","1.044","","","","has coordinates","267372","2021-07-08","06:51:52",""
"1564026","21.816","0.004","20.446","0.004","9.4117","0.0018","90","","98.107","0.01","90","","4156.1","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Co3 N4 O20 -","- C34 H26 Co3 N4 O20 -","- C136 H104 Co12 N16 O80 -","4","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.0781","0.0713","","","0.1755","0.1792","","","","","","1.153","","","","has coordinates,has disorder","267373","2021-07-08","06:53:23",""
"1564027","21.696","0.004","20.317","0.004","9.3364","0.0018","90","","96.793","0.01","90","","4086.6","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 Ni3 O20 -","- C34 H20 N4 Ni3 O20 -","- C136 H80 N16 Ni12 O80 -","4","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.1255","0.0927","","","0.2304","0.2469","","","","","","1.17","","","","has coordinates,has disorder","267374","2021-07-08","06:54:57",""
"1564028","8.085","0.006","11.114","0.007","13.308","0.009","96.42","0.011","103.431","0.01","106.309","0.012","1096","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co4 N4 O24 -","- C40 H34 Co4 N4 O24 -","- C40 H34 Co4 N4 O24 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.1128","0.0735","","","0.1818","0.2224","","","","","","1.049","","","","has coordinates","267375","2021-07-08","06:56:11",""
"1564029","7.6535","0.0006","10.4489","0.0008","15.2386","0.0014","70.535","0.001","78.626","0.002","68.573","0.001","1065.61","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N4 O22 Zn4 -","- C38 H36 N4 O22 Zn4 -","- C38 H36 N4 O22 Zn4 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.0761","0.0489","","","0.0993","0.1063","","","","","","1.058","","","","has coordinates","267376","2021-07-08","06:57:45",""
"1564030","9.5385","0.0007","10.286","0.0007","11.9881","0.0008","67.471","0.002","83.343","0.002","67.209","0.002","1000.88","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H18 O3 -","- C29 H18 O3 -","- C58 H36 O6 -","2","1","","Turquet, François-Xavier; Garcia-Cirera, Beltzane; Albela, Belén; Bonneviot, Laurent; Font-Bardia, Mercè; Corbella, Montserrat","Reactivity of 9-anthracenecarboxylate in the presence of Mn(II) and Mn(III) ions: Biomimetic aerobic oxidative decarboxylation catalysed by a manganese(III) 2,2′-bipyridine complex","Inorganica Chimica Acta","2020","513","","119949","","10.1016/j.ica.2020.119949","","","0.71073","MoKα","","0.0602","0.0419","","","0.1047","0.1152","","","","","","1.041","","","","has coordinates","267377","2021-07-08","07:11:43",""
"1564031","16.141","0.0007","17.5745","0.0008","24.6954","0.0009","108.768","0.002","91.291","0.002","90.413","0.002","6630.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H60 Mn2 N4 O10 -","- C82 H60 Mn2 N4 O10 -","- C328 H240 Mn8 N16 O40 -","4","2","","Turquet, François-Xavier; Garcia-Cirera, Beltzane; Albela, Belén; Bonneviot, Laurent; Font-Bardia, Mercè; Corbella, Montserrat","Reactivity of 9-anthracenecarboxylate in the presence of Mn(II) and Mn(III) ions: Biomimetic aerobic oxidative decarboxylation catalysed by a manganese(III) 2,2′-bipyridine complex","Inorganica Chimica Acta","2020","513","","119949","","10.1016/j.ica.2020.119949","","","0.71073","MoKα","","0.0538","0.0364","","","0.0831","0.0914","","","","","","1.015","","","","has coordinates","267377","2021-07-08","07:11:43",""
"1564032","10.986","0.005","13.871","0.005","20.06","0.005","90","","93.303","0.005","90","","3051.8","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 Cu N6 O9 -","- C30 H28 Cl2 Cu N6 O9 -","- C120 H112 Cl8 Cu4 N24 O36 -","4","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71069","MoKα","","0.045","0.0396","","","0.0954","0.0988","","","","","","1.032","","","","has coordinates","267378","2021-07-08","07:40:39",""
"1564033","12.32","0.005","23.292","0.005","10.738","0.005","90","","105.886","0.005","90","","2963.7","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl Cu N9 O4 -","- C30 H26 Cl Cu N9 O4 -","- C120 H104 Cl4 Cu4 N36 O16 -","4","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71069","MoKα","","0.0499","0.0395","","","0.0988","0.1033","","","","","","1.048","","","","has coordinates","267378","2021-07-08","07:40:43",""
"1564034","10.318","0.005","13.704","0.006","14.428","0.007","68.748","0.012","75.089","0.014","68.32","0.013","1748.8","1.4","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Cl Cu N7 O4 S -","- C31 H26 Cl Cu N7 O4 S -","- C62 H52 Cl2 Cu2 N14 O8 S2 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.1373","0.0822","","","0.1995","0.2291","","","","","","1.006","","","","has coordinates","267378","2021-07-08","07:40:55",""
"1564035","12.4084","0.0004","12.8912","0.0004","13.2892","0.0004","98.105","0.001","111.486","0.001","111.039","0.001","1752.93","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl Cu N7 O6 -","- C30 H26 Cl Cu N7 O6 -","- C60 H52 Cl2 Cu2 N14 O12 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.0579","0.0474","","","0.1182","0.1256","","","","","","1.039","","","","has coordinates","267378","2021-07-08","07:40:59",""
"1564036","11.962","0.005","12.712","0.005","12.988","0.005","100.54","0.005","107.46","0.005","109.854","0.005","1680.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Cl Cu N6 O9 -","- C32 H35 Cl Cu N6 O9 -","- C64 H70 Cl2 Cu2 N12 O18 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71069","MoKα","","0.0488","0.0444","","","0.1161","0.1191","","","","","","1.046","","","","has coordinates","267378","2021-07-08","07:41:12",""
"1564037","13.9709","0.0013","15.0437","0.0015","15.3931","0.0014","90","","106.626","0.003","90","","3100","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl2 Cu N7 O4 -","- C32 H29 Cl2 Cu N7 O4 -","- C128 H116 Cl8 Cu4 N28 O16 -","4","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.0664","0.0448","","","0.083","0.0935","","","","","","1.097","","","","has coordinates","267378","2021-07-08","07:41:23",""
"1564038","11.4038","0.0011","11.4048","0.0011","13.461","0.0013","74.81","0.003","70.818","0.003","72.847","0.003","1553.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Br Cl Cu N7 O4 -","- C32 H29 Br Cl Cu N7 O4 -","- C64 H58 Br2 Cl2 Cu2 N14 O8 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.061","0.0548","","","0.1597","0.1653","","","","","","1.06","","","","has coordinates","267378","2021-07-08","07:41:34",""
"1564039","34.4959","0.0018","18.5702","0.001","22.5305","0.0012","90","","123.784","0.001","90","","11995.8","1.1","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H65 Gd N14 O6 -","- C63 H65 Gd N14 O6 -","- C504 H520 Gd8 N112 O48 -","8","1","","Taydakov, Ilya V.; Korshunov, Vladislav M.; Belousov, Yuriy A.; Nelyubina, Yulia V.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, crystal structure and photophysical properties of mixed-ligand lanthanide complexes with 1,3-diketonates bearing pyrazole moieties and 1,10-phenanthroline","Inorganica Chimica Acta","2020","513","","119922","","10.1016/j.ica.2020.119922","","","0.71073","MoKα","","0.0675","0.0437","","","0.0743","0.0819","","","","","","1.097","","","","has coordinates","267379","2021-07-08","08:10:44",""
"1564040","12.2382","0.0009","20.2285","0.0015","25.7802","0.0019","90","","97.851","0.001","90","","6322.3","0.8","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59.75 H66 Cl3.5 N14 O6.75 Yb -","- C59.75 H66 Cl3.5 N14 O6.75 Yb -","- C239 H264 Cl14 N56 O27 Yb4 -","4","1","","Taydakov, Ilya V.; Korshunov, Vladislav M.; Belousov, Yuriy A.; Nelyubina, Yulia V.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, crystal structure and photophysical properties of mixed-ligand lanthanide complexes with 1,3-diketonates bearing pyrazole moieties and 1,10-phenanthroline","Inorganica Chimica Acta","2020","513","","119922","","10.1016/j.ica.2020.119922","","","0.71073","MoKα","","0.0865","0.057","","","0.1267","0.1436","","","","","","1.136","","","","has coordinates,has disorder","267379","2021-07-08","08:10:45",""
"1564041","12.0434","0.0007","20.1747","0.0011","27.3239","0.0016","90","","97.46","0.001","90","","6582.7","0.7","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H71 Lu N14 O6 -","- C69 H71 Lu N14 O6 -","- C276 H284 Lu4 N56 O24 -","4","1","","Taydakov, Ilya V.; Korshunov, Vladislav M.; Belousov, Yuriy A.; Nelyubina, Yulia V.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, crystal structure and photophysical properties of mixed-ligand lanthanide complexes with 1,3-diketonates bearing pyrazole moieties and 1,10-phenanthroline","Inorganica Chimica Acta","2020","513","","119922","","10.1016/j.ica.2020.119922","","","0.71073","MoKα","","0.066","0.0413","","","0.0865","0.0974","","","","","","1.056","","","","has coordinates","267379","2021-07-08","08:10:46",""
"1564042","11.4312","0.0002","12.5054","0.0002","12.8166","0.0002","67.053","0.002","78.555","0.001","69.178","0.002","1573.16","0.05","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cl2 Fe N6 O8 -","- C28 H30 Cl2 Fe N6 O8 -","- C56 H60 Cl4 Fe2 N12 O16 -","2","1","","Chatterjee, Arnab; Kaur, Gurpreet; Joshi, Mayank; Choudhury, Angshuman Roy; Ghosh, Rajarshi","pH dependent catecholase activity of Fe(II) complexes of type [Fe(L)]X2 [L = N-(phenyl-pyridin-2-yl-methylene)-ethane-1,2-diamine; X = ClO4− (1), PF6− (2)]: Role of counter anion on turnover number","Inorganica Chimica Acta","2020","513","","119933","","10.1016/j.ica.2020.119933","","","0.71073","MoKα","","0.0788","0.0591","","","0.1725","0.1956","","","","","","1.034","","","","has coordinates","267380","2021-07-08","08:15:58",""
"1564043","11.8627","0.0002","12.6978","0.0002","12.9813","0.0003","66.204","0.002","75.134","0.002","70.645","0.002","1670.85","0.06","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 F12 Fe N6 P2 -","- C28 H30 F12 Fe N6 P2 -","- C56 H60 F24 Fe2 N12 P4 -","2","1","","Chatterjee, Arnab; Kaur, Gurpreet; Joshi, Mayank; Choudhury, Angshuman Roy; Ghosh, Rajarshi","pH dependent catecholase activity of Fe(II) complexes of type [Fe(L)]X2 [L = N-(phenyl-pyridin-2-yl-methylene)-ethane-1,2-diamine; X = ClO4− (1), PF6− (2)]: Role of counter anion on turnover number","Inorganica Chimica Acta","2020","513","","119933","","10.1016/j.ica.2020.119933","","x-ray","0.71073","MoKα","","0.0883","0.066","","","0.1846","0.2215","","","","","","1.052","","","","has coordinates","267381","2021-07-08","08:17:45",""
"1564044","10.7327","0.0006","10.7327","0.0006","12.6277","0.001","90","","90","","90","","1454.6","0.16","213","2","213","2","","","","","","","","5","P 41","P 4w","76","","","","- C13 H19 N2 Na O4 -","- C13 H19 N2 Na O4 -","- C52 H76 N8 Na4 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0307","0.0297","","","0.0819","0.0824","","","","","","1.001","","","","has coordinates","267382","2021-07-08","08:26:19",""
"1564045","11.1542","0.0002","11.1542","0.0002","12.5224","0.0003","90","","90","","90","","1557.99","0.05","193","2","193","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0253","0.0251","","","0.0642","0.0644","","","","","","1.06","","","","has coordinates","267382","2021-07-08","08:26:20",""
"1564046","10.7365","0.0013","10.7365","0.0013","12.6548","0.0019","90","","90","","90","","1458.7","0.3","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C13 H19 N2 Na O4 -","- C13 H19 N2 Na O4 -","- C52 H76 N8 Na4 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0308","0.027","","","0.0646","0.0659","","","","","","1.025","","","","has coordinates","267382","2021-07-08","08:26:23",""
"1564047","11.1555","0.0009","11.1555","0.0009","12.526","0.002","90","","90","","90","","1558.8","0.3","193","2","193","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0298","0.027","","","0.0644","0.0656","","","","","","1.049","","","","has coordinates","267382","2021-07-08","08:26:26",""
"1564048","16.868","0.014","8.211","0.007","26.122","0.002","90","","103.88","0.009","90","","3512","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Cl4 N4 Ru2 -","- C34 H50 Cl4 N4 Ru2 -","- C136 H200 Cl16 N16 Ru8 -","4","1","","Pettinari, Claudio; Pettinari, Riccardo; Xhaferai, Nertil; Giambastiani, Giuliano; Rossin, Andrea; Bonfili, Laura; Maria Eleuteri, Anna; Cuccioloni, Massimiliano","Binuclear 3,3′,5,5′-tetramethyl-1H,H-4,4′-bipyrazole Ruthenium(II) complexes: Synthesis, characterization and biological studies","Inorganica Chimica Acta","2020","513","","119902","","10.1016/j.ica.2020.119902","","x-ray","1.54184","CuKα","","0.0431","0.0351","","","0.0849","0.0915","","","","","","1.071","","","","has coordinates","267383","2021-07-08","08:29:53",""
"1564049","10.4234","0.0009","19.009","0.0013","20.6686","0.0015","90","","99.086","0.003","90","","4043.9","0.5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 O10 P2 Ru2 -","- C44 H36 O10 P2 Ru2 -","- C176 H144 O40 P8 Ru8 -","4","1","","Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee","Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction","Inorganica Chimica Acta","2020","512","","119833","","10.1016/j.ica.2020.119833","","","0.71073","MoKα","","0.0593","0.0406","","","0.0926","0.1036","","","","","","1.053","","","","has coordinates,has disorder","267384","2021-07-08","09:03:34",""
"1564050","10.5028","0.0003","13.6946","0.0004","20.5244","0.0006","72.1988","0.0016","85.7229","0.0017","71.1619","0.0014","2659.21","0.14","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H55 N O10 P2 Ru2 Si2 -","- C52 H55 N O10 P2 Ru2 Si2 -","- C104 H110 N2 O20 P4 Ru4 Si4 -","2","1","","Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee","Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction","Inorganica Chimica Acta","2020","512","","119833","","10.1016/j.ica.2020.119833","","","0.71073","MoKα","","0.0477","0.0336","","","0.0802","0.0885","","","","","","1.058","","","","has coordinates","267385","2021-07-08","09:09:38",""
"1564051","12.6618","0.0004","13.7592","0.0004","20.8909","0.0006","99.037","0.0016","98.5968","0.0017","117.376","0.0014","3088.14","0.17","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.66 H65.32 Cl1.32 O16 P2 Ru2 Si2 -","- C56.66 H65.32 Cl1.32 O16 P2 Ru2 Si2 -","- C113.32 H130.64 Cl2.64 O32 P4 Ru4 Si4 -","2","1","","Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee","Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction","Inorganica Chimica Acta","2020","512","","119833","","10.1016/j.ica.2020.119833","","","0.71073","MoKα","","0.0688","0.0412","","","0.0937","0.1091","","","","","","1.06","","","","has coordinates,has disorder","267386","2021-07-08","09:11:53",""
"1564052","12.8759","0.0004","10.8756","0.0004","16.4979","0.0008","90","","106.946","0.0018","90","","2209.94","0.15","188","2","188","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B F4 N2 O P Pt -","- C22 H20 B F4 N2 O P Pt -","- C88 H80 B4 F16 N8 O4 P4 Pt4 -","4","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.027","0.0231","","","0.0565","0.0581","","","","","","1.059","","","","has coordinates","267387","2021-07-08","09:16:21",""
"1564053","9.2877","0.0003","13.2977","0.0009","14.0554","0.0009","64.82","0.004","77.791","0.003","70.929","0.004","1479.4","0.16","188","2","188","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H24 F3 N2 O3 P Pt S -","- C33 H24 F3 N2 O3 P Pt S -","- C66 H48 F6 N4 O6 P2 Pt2 S2 -","2","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.0395","0.0364","","","0.0775","0.0911","","","","","","1.083","","","","has coordinates","267388","2021-07-08","09:17:59",""
"1564054","9.6434","0.0007","22.6286","0.0014","14.943","0.0008","90","","90.276","0.002","90","","3260.8","0.4","188","2","188","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F3 N2 O4 P Pt S -","- C35 H30 F3 N2 O4 P Pt S -","- C140 H120 F12 N8 O16 P4 Pt4 S4 -","4","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.0453","0.0368","","","0.0833","0.0913","","","","","","1.076","","","","has coordinates","267389","2021-07-08","09:19:00",""
"1564055","18.754","0.001","8.0883","0.0005","24.8439","0.0015","90","","99.739","0.002","90","","3714.2","0.4","188","2","188","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 B F4 N4 P Pt -","- C42 H34 B F4 N4 P Pt -","- C168 H136 B4 F16 N16 P4 Pt4 -","4","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.0334","0.0254","","","0.0538","0.0568","","","","","","1.028","","","","has coordinates","267390","2021-07-08","09:20:29",""
"1564056","12.5812","0.0012","18.4686","0.0017","16.8024","0.0015","90","","95.919","0.002","90","","3883.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Dy F18 N3 O9 -","- C28 H21 Dy F18 N3 O9 -","- C112 H84 Dy4 F72 N12 O36 -","4","1","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0477","0.0414","","","0.1243","0.1397","","","","","","1.005","","","","has coordinates","267391","2021-07-08","09:24:53",""
"1564057","30.582","0.002","10.425","0.0007","22.2316","0.0016","90","","109.007","0.002","90","","6701.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu Dy F30 N6 O16 -","- C51 H41 Cu Dy F30 N6 O16 -","- C204 H164 Cu4 Dy4 F120 N24 O64 -","4","0.5","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0446","0.0399","","","0.1219","0.1308","","","","","","0.999","","","","has coordinates","267392","2021-07-08","09:27:23",""
"1564058","12.552","0.003","18.502","0.004","16.782","0.003","90","","95.72","0.03","90","","3878","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F18 Gd N3 O9 -","- C28 H21 F18 Gd N3 O9 -","- C112 H84 F72 Gd4 N12 O36 -","4","1","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.042","0.0356","","","0.1156","0.1277","","","","","","1.007","","","","has coordinates","267393","2021-07-08","09:30:21",""
"1564059","30.704","0.004","10.3832","0.0013","22.267","0.003","90","","108.813","0.003","90","","6719.6","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu F30 Gd N6 O16 -","- C51 H41 Cu F30 Gd N6 O16 -","- C204 H164 Cu4 F120 Gd4 N24 O64 -","4","0.5","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0582","0.0425","","","0.118","0.1368","","","","","","1.025","","","","has coordinates","267394","2021-07-08","09:32:26",""
"1564060","12.563","0.0007","18.4708","0.001","16.761","0.0009","90","","95.802","0.001","90","","3869.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F18 N3 O9 Tb -","- C28 H21 F18 N3 O9 Tb -","- C112 H84 F72 N12 O36 Tb4 -","4","1","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.046","0.0361","","","0.116","0.1291","","","","","","1.001","","","","has coordinates","267395","2021-07-08","09:33:29",""
"1564061","30.634","0.004","10.4037","0.0016","22.235","0.003","90","","108.812","0.003","90","","6707.9","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu F30 N6 O16 Tb -","- C51 H41 Cu F30 N6 O16 Tb -","- C204 H164 Cu4 F120 N24 O64 Tb4 -","4","0.5","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0728","0.0691","","","0.2026","0.2074","","","","","","1.019","","","","has coordinates","267396","2021-07-08","09:34:52",""
"1564062","8.1246","0.0016","13.74","0.003","17.365","0.003","71.02","0.03","82.53","0.03","80.15","0.03","1800.3","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.1228","0.074","","","0.1778","0.2101","","","","","","0.999","","","","has coordinates","267397","2021-07-08","09:39:17",""
"1564063","12.351","0.003","23.881","0.005","15.407","0.006","90","","126.76","0.02","90","","3641","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C100 H128 Cl16 F24 N8 O32 P4 Sm4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.1374","0.067","","","0.1724","0.2071","","","","","","0.955","","","","has coordinates","267397","2021-07-08","09:39:17",""
"1564064","8.1076","0.0016","13.744","0.003","17.225","0.003","70.59","0.03","82.28","0.03","80.23","0.03","1777.8","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.0794","0.0555","","","0.1472","0.1716","","","","","","1.004","","","","has coordinates","267397","2021-07-08","09:39:18",""
"1564065","12.2665","0.0008","23.2104","0.0016","15.2805","0.0008","90","","126.165","0.004","90","","3512.3","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C100 H128 Cl16 F24 Gd4 N8 O32 P4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.0885","0.0534","","","0.1196","0.1334","","","","","","1.08","","","","has coordinates","267397","2021-07-08","09:39:18",""
"1564066","8.0876","0.0016","13.981","0.003","17.126","0.003","70.44","0.03","81.52","0.03","79.34","0.03","1785.6","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.0659","0.0532","","","0.147","0.1607","","","","","","1.066","","","","has coordinates","267397","2021-07-08","09:39:18",""
"1564067","24.4722","0.0017","9.5751","0.0007","21.1469","0.0015","90","","110.25","0.002","90","","4648.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H65 N3 Ni O4 -","- C51 H65 N3 Ni O4 -","- C204 H260 N12 Ni4 O16 -","4","1","","Zolotukhin, Alexey A.; Korshunova, Anastasiya A.; Bubnov, Michael P.; Bogomyakov, Artem S.; Baranov, Evgeny V.; Cherkasov, Vladimir K.","Nickel(II) and Cobalt(III) bis(dioxolene) complexes with di(2-pyridyl)imine ligands: Synthesis and magnetic properties","Inorganica Chimica Acta","2020","512","","119869","","10.1016/j.ica.2020.119869","","","0.71073","MoKα","","0.0634","0.0487","","","0.0906","0.0951","","","","","","1.081","","","","has coordinates","267398","2021-07-08","09:42:10",""
"1564068","27.5155","0.0013","9.1058","0.0004","26.9787","0.0011","90","","115.946","0.004","90","","6078.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 As Cl3 N2 O2 Pd -","- C32 H22 As Cl3 N2 O2 Pd -","- C256 H176 As8 Cl24 N16 O16 Pd8 -","8","1","","Ayyannan, Ganesan; Mohanraj, Maruthachalam; Gopiraman, Mayakrishnan; Uthayamalar, Ramasamy; Raja, Gunasekaran; Bhuvanesh, Nanjan; Nandhakumar, Raju; Jayabalakrishnan, Chinnasamy","New Palladium(II) complexes with ONO chelated hydrazone ligand: Synthesis, characterization, DNA/BSA interaction, antioxidant and cytotoxicity","Inorganica Chimica Acta","2020","512","","119868","","10.1016/j.ica.2020.119868","","","0.71073","MoKα","","0.0682","0.0382","","","0.0938","0.1196","","","","","","1.126","","","","has coordinates","267399","2021-07-08","09:46:16",""
"1564069","26.612","0.003","6.4992","0.0006","18.059","0.002","90","","111.626","0.006","90","","2903.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cl3 N2 O2 -","- C14 H9 Cl3 N2 O2 -","- C112 H72 Cl24 N16 O16 -","8","1","","Ayyannan, Ganesan; Mohanraj, Maruthachalam; Gopiraman, Mayakrishnan; Uthayamalar, Ramasamy; Raja, Gunasekaran; Bhuvanesh, Nanjan; Nandhakumar, Raju; Jayabalakrishnan, Chinnasamy","New Palladium(II) complexes with ONO chelated hydrazone ligand: Synthesis, characterization, DNA/BSA interaction, antioxidant and cytotoxicity","Inorganica Chimica Acta","2020","512","","119868","","10.1016/j.ica.2020.119868","","","0.71073","MoKα","","0.0501","0.039","","","0.103","0.1122","","","","","","1.021","","","","has coordinates","267399","2021-07-08","09:46:17",""
"1564074","20.333","0.003","10.3696","0.0014","9.3867","0.0011","90","","99.726","0.003","90","","1950.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O8 S2 Zn -","- C17 H22 O8 S2 Zn -","- C68 H88 O32 S8 Zn4 -","4","1","","Almáši, Miroslav; Walko, Martin; Boržíková, Jana; Gyepes, Róbert","A novel approach to achieve molecular switching in solid-state driving by thermal treatment: A photochromic zinc-coordination polymer","Inorganica Chimica Acta","2020","512","","119879","","10.1016/j.ica.2020.119879","","","0.71073","MoKα","","0.1174","0.0532","","","0.0876","0.1041","","","","","","0.993","","","","has coordinates","267420","2021-07-09","08:10:34",""
"1564075","5.3124","0.0004","7.3148","0.0004","9.7421","0.0007","80.58","0.005","89.658","0.006","72.544","0.006","355.89","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","diaaqua-bis(pyridazine-3-carboxylato)-manganese(II) dihydrate","","- C10 H14 Mn N4 O8 -","- C10 H14 Mn N4 O8 -","- C10 H14 Mn N4 O8 -","1","0.5","","Świderski, Grzegorz; Łyszczek, Renata; Wojtulewski, Sławomir; Kalinowska, Monika; Świsłocka, Renata; Lewandowski, Włodzimierz","Comparison of structural, spectroscopic, theoretical and thermal properties of metal complexes (Zn(II), Mn(II), Cu(II), Ni(II) and Co(II)) of pyridazine-3-carboxylic acid and pyridazine-4-carboxylic acids","Inorganica Chimica Acta","2020","512","","119865","","10.1016/j.ica.2020.119865","","x-ray","1.54184","CuKα","","0.038","0.0358","","","0.0953","0.0966","","","","","","1.118","","","","has coordinates","267421","2021-07-09","08:17:26",""
"1564076","19.117","0.001","6.7745","0.0003","6.2323","0.0004","90","","97.344","0.005","90","","800.51","0.08","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H18 Mn N4 O10 -","- C10 H18 Mn N4 O10 -","- C20 H36 Mn2 N8 O20 -","2","0.25","","Świderski, Grzegorz; Łyszczek, Renata; Wojtulewski, Sławomir; Kalinowska, Monika; Świsłocka, Renata; Lewandowski, Włodzimierz","Comparison of structural, spectroscopic, theoretical and thermal properties of metal complexes (Zn(II), Mn(II), Cu(II), Ni(II) and Co(II)) of pyridazine-3-carboxylic acid and pyridazine-4-carboxylic acids","Inorganica Chimica Acta","2020","512","","119865","","10.1016/j.ica.2020.119865","","x-ray","1.54184","CuKα","","0.1073","0.0866","","","0.2056","0.2428","","","","","","1.122","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564077","19.229","0.007","10.703","0.003","14.694","0.004","90","","120.159","0.004","90","","2614.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N6 O5 Zn -","- C12 H8 N6 O5 Zn -","- C96 H64 N48 O40 Zn8 -","8","1","","Cai, Hua; Li, Na; Li, Yan; An, Dong-Ming","New three-dimensional Zn(II)/Cd(II)-based coordination polymers as luminescent sensor for Cu2+","Inorganica Chimica Acta","2020","512","","119886","","10.1016/j.ica.2020.119886","","","0.71073","MoKα","","0.0551","0.0356","","","0.0709","0.0779","","","","","","1.004","","","","has coordinates","267422","2021-07-09","08:23:39",""
"1564078","7.4676","0.0007","15.9129","0.0016","10.1478","0.001","90","","90.707","0.001","90","","1205.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd N6 O4 -","- C12 H6 Cd N6 O4 -","- C48 H24 Cd4 N24 O16 -","4","1","","Cai, Hua; Li, Na; Li, Yan; An, Dong-Ming","New three-dimensional Zn(II)/Cd(II)-based coordination polymers as luminescent sensor for Cu2+","Inorganica Chimica Acta","2020","512","","119886","","10.1016/j.ica.2020.119886","","","0.71073","MoKα","","0.0495","0.0313","","","0.0654","0.0717","","","","","","1.054","","","","has coordinates","267422","2021-07-09","08:23:43",""
"1564079","12.2328","0.0006","13.2313","0.0007","14.8528","0.0008","63.889","0.002","76.568","0.002","76.802","0.002","2077.63","0.19","297","2","297","2","","","","","","","","6","P -1","-P 1","2","bismuth(III) benzoyl-N,N-morpholylthiourea","","","- C78 H90 Bi2 N12 O14 S6 -","- C78 H90 Bi2 N12 O14 S6 -","- C78 H90 Bi2 N12 O14 S6 -","1","0.5","","de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos","Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands","Inorganica Chimica Acta","2020","512","","119871","","10.1016/j.ica.2020.119871","","","0.71073","MoKα","","0.0254","0.0213","","","0.0484","0.0497","","","","","","1.057","","","","has coordinates,has disorder","267423","2021-07-09","08:37:33",""
"1564080","71.6534","0.0014","10.6297","0.0004","21.2674","0.0009","90","","103.808","0.0014","90","","15730.3","0.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bismuth(III) benzoyl-N,N-diethyltiourea","","","- C144 H183 Bi3 N24 O12 S12 -","- C144 H183 Bi3 N24 O12 S12 -","- C576 H732 Bi12 N96 O48 S48 -","4","0.5","","de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos","Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands","Inorganica Chimica Acta","2020","512","","119871","","10.1016/j.ica.2020.119871","","","0.71073","MoKα","","0.0752","0.0451","","","0.0841","0.092","","","","","","1.127","","","","has coordinates,has disorder","267423","2021-07-09","08:37:37",""
"1564081","17.253","0.002","22.953","0.003","19.622","0.003","90","","100.207","0.004","90","","7647.5","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bismuth(III) 2,6-dipicolylbis(N,N-diethylthiourea)","","","- C102 H145 Bi6 N36 O34 S12 -","- C102 H138 Bi6 N36 O34 S12 -","- C204 H276 Bi12 N72 O68 S24 -","2","0.5","","de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos","Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands","Inorganica Chimica Acta","2020","512","","119871","","10.1016/j.ica.2020.119871","","","0.56086","AgKα","","0.1094","0.0459","","","0.0926","0.1152","","","","","","1.054","","","","has coordinates,has disorder","267423","2021-07-09","08:37:37",""
"1564082","33.624","0.003","33.624","0.003","10.496","0.001","90","","90","","120","","10276.7","1.6","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H8 Cu2 N2 O9 P -","- C11 H8 Cu2 N2 O9 P -","- C198 H144 Cu36 N36 O162 P18 -","18","1","","Ye, Qing; Zhang, Li; Shao, Zhou-Li; Zhang, Wei; Li, Chao; Ye, Xiang-Ming","Two Cu(II)-organic frameworks: Effective CO2 fixation and protective activity on the motor function after stroke by increasing neural stem cells differentiation","Inorganica Chimica Acta","2020","512","","119880","","10.1016/j.ica.2020.119880","","","0.71069","MoKα","","0.054","0.0399","","","0.1055","0.1163","","","","","","1.091","","","","has coordinates,has disorder","267424","2021-07-09","08:49:53",""
"1564083","10.6291","0.001","12.6642","0.001","13.5792","0.0013","90","","108.863","0.002","90","","1729.7","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Cu N2 O4 -","- C11 H6 Cu N2 O4 -","- C44 H24 Cu4 N8 O16 -","4","1","","Ye, Qing; Zhang, Li; Shao, Zhou-Li; Zhang, Wei; Li, Chao; Ye, Xiang-Ming","Two Cu(II)-organic frameworks: Effective CO2 fixation and protective activity on the motor function after stroke by increasing neural stem cells differentiation","Inorganica Chimica Acta","2020","512","","119880","","10.1016/j.ica.2020.119880","","","0.71073","MoKα","","0.0925","0.086","","","0.2185","0.222","","","","","","1.091","","","","has coordinates","267424","2021-07-09","08:49:54",""
"1564084","23.654","0.003","22.295","0.002","13.6451","0.0014","90","","73.421","0.003","90","","6896.8","1.3","130","2","130","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C10 H10 Cl N4 O4 Zn -","- C12.6316 Cl0.210526 N2.52632 Zn0.421053 -","- C240 Cl4 N48 Zn8 -","19","4.75","","Annan, Neveen A.; Butler, Ian S.; Osman, Yehia A.; Hussein, Mervat H.; Jean-Claude, Bertrand J.; Saad, Eman M.; Mostafa, Sahar I.","Complexes based N,N-donors (2,2′-bipyridyl & 2-(2-aminophenyl)benzimidazole); Synthesis, characterization, DNA interaction and toxicity assessment against Chlorella vulgaris microchlorophyte; X-ray crystal structure of [Zn(bpy)3)]Cl2","Inorganica Chimica Acta","2020","512","","119885","","10.1016/j.ica.2020.119885","","","0.71073","MoKα","","0.3302","0.2564","","","0.614","0.6364","","","","","","3.83","","","","has coordinates","267425","2021-07-09","09:18:31",""
"1564085","26.019","0.004","7.7481","0.0011","22.772","0.003","90","","92.03","0.002","90","","4587.9","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H16 Ag2 F22 N2 O9 -","- C42 H16 Ag2 F22 N2 O9 -","- C168 H64 Ag8 F88 N8 O36 -","4","0.5","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0411","0.0348","","","0.1001","0.1053","","","","","","1.026","","","","has coordinates,has disorder","267426","2021-07-09","09:24:17",""
"1564086","25.86","0.004","7.786","0.0011","22.864","0.003","90","","91.177","0.002","90","","4602.6","1.1","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H18 Ag2 F22 N2 O9 -","- C43 H18 Ag2 F22 N2 O9 -","- C172 H72 Ag8 F88 N8 O36 -","4","0.5","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0361","0.0318","","","0.0897","0.0933","","","","","","1.032","","","","has coordinates,has disorder","267427","2021-07-09","09:27:25",""
"1564087","25.6197","0.0018","7.7014","0.0005","23.3224","0.0016","90","","91.981","0.001","90","","4598.9","0.5","100","2","100.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H20 Ag2 F22 N2 O9 -","- C44 H20 Ag2 F22 N2 O9 -","- C176 H80 Ag8 F88 N8 O36 -","4","1","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0258","0.0242","","","0.0528","0.0532","","","","","","1.017","","","","has coordinates","267428","2021-07-09","09:28:26",""
"1564088","12.157","0.011","14.178","0.013","17.996","0.018","76.12","0.02","82.706","0.019","77.964","0.018","2935","5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H28 Ag2 F22 N4 O9 -","- C62 H28 Ag2 F22 N4 O9 -","- C124 H56 Ag4 F44 N8 O18 -","2","1","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.179","0.0667","","","0.1341","0.1784","","","","","","0.93","","","","has coordinates","267429","2021-07-09","09:29:29",""
"1564089","17.144","0.004","6.2142","0.0015","19.301","0.005","90","","101.726","0.004","90","","2013.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 F8 N2 O2 -","- C22 H10 F8 N2 O2 -","- C88 H40 F32 N8 O8 -","4","0.5","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0463","0.036","","","0.0956","0.1033","","","","","","1.322","","","","has coordinates","267430","2021-07-09","09:31:03",""
"1564090","13.6336","0.0004","19.7591","0.0007","26.8567","0.0011","90","","90","","90","","7234.9","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H39 N O5.5 P3 -","- C39 H38 N O5.5 P3 -","- C312 H304 N8 O44 P24 -","8","1","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","0.71073","MoKα","","0.0811","0.0555","","","0.1363","0.1514","","","","","","1.073","","","","has coordinates,has disorder","267431","2021-07-09","09:38:33",""
"1564091","20.8796","0.0007","18.2086","0.0006","28.8297","0.0009","90","","90.896","0.003","90","","10959.4","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C127.5 H115 B2 Cl3 Fe N2 O6 P6 -","- C127.5 H115 B2 Cl3 Fe N2 O6 P6 -","- C510 H460 B8 Cl12 Fe4 N8 O24 P24 -","4","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","0.71073","MoKα","","0.1277","0.073","","","0.142","0.17","","","","","","1.042","","","","has coordinates,has disorder","267431","2021-07-09","09:38:34",""
"1564092","13.45476","0.00008","20.00475","0.00014","21.70642","0.00016","90","","96.5856","0.0006","90","","5803.93","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C134 H124 B2 Co N6 O6 P6 -","- C134 H124 B2 Co N6 O6 P6 -","- C268 H248 B4 Co2 N12 O12 P12 -","2","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","1.54184","CuKα","","0.044","0.0347","","","0.0851","0.0901","","","","","","1.038","","","","has coordinates","267431","2021-07-09","09:38:34",""
"1564093","13.47027","0.00012","19.966","0.0002","21.70578","0.00019","90","","96.6359","0.0008","90","","5798.6","0.09","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C134 H124 B2 N6 Ni O6 P6 -","- C134 H124 B2 N6 Ni O6 P6 -","- C268 H248 B4 N12 Ni2 O12 P12 -","2","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","1.54184","CuKα","","0.0513","0.0372","","","0.0889","0.0987","","","","","","1.01","","","","has coordinates","267431","2021-07-09","09:38:35",""
"1564094","12.3925","0.0009","13.0398","0.001","13.8009","0.001","72.638","0.007","89.866","0.006","79.572","0.006","2090.2","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H84 B2 Cu F8 N6 O6 P6 -","- C86 H84 B2 Cu F8 N6 O6 P6 -","- C86 H84 B2 Cu F8 N6 O6 P6 -","1","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","1.54184","CuKα","","0.1051","0.0676","","","0.1638","0.2031","","","","","","0.986","","","","has coordinates,has disorder","267431","2021-07-09","09:38:35",""
"1564095","11.7685","0.0006","38.622","0.002","12.0399","0.0006","90","","90.98","0.003","90","","5471.6","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 As2 Cl N3 O Ru S -","- C61 H44 As2 Cl N3 O Ru S -","- C244 H176 As8 Cl4 N12 O4 Ru4 S4 -","4","1","","Murugan, Kaliyappan; Vijayapritha, Subbarayan; Viswanathamurthi, Periasamy; Saravanan, Kandasamy; Vijayan, Paranthaman; Ojwach, Stephen O.","Ru(II) complexes containing (2-(pyren-1-ylmethylene)hydrazinyl)benzothiazole: Synthesis, solid-state structure, computational study and catalysis in N-alkylation reactions","Inorganica Chimica Acta","2020","512","","119864","","10.1016/j.ica.2020.119864","","","0.71073","MoKα","","0.1849","0.1103","","","0.2706","0.3109","","","","","","1.109","","","","has coordinates","267432","2021-07-09","09:42:03",""
"1564096","10.6204","0.001","13.8955","0.0012","17.3879","0.0016","96.369","0.004","104.386","0.004","96.658","0.004","2442.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H45 N3 O P2 Ru S -","- C61 H45 N3 O P2 Ru S -","- C122 H90 N6 O2 P4 Ru2 S2 -","2","1","","Murugan, Kaliyappan; Vijayapritha, Subbarayan; Viswanathamurthi, Periasamy; Saravanan, Kandasamy; Vijayan, Paranthaman; Ojwach, Stephen O.","Ru(II) complexes containing (2-(pyren-1-ylmethylene)hydrazinyl)benzothiazole: Synthesis, solid-state structure, computational study and catalysis in N-alkylation reactions","Inorganica Chimica Acta","2020","512","","119864","","10.1016/j.ica.2020.119864","","","0.71073","MoKα","","0.1253","0.0852","","","0.2693","0.3009","","","","","","1.081","","","","has coordinates","267433","2021-07-09","09:43:03",""
"1564097","19.6427","0.0008","11.8972","0.0005","15.2443","0.0008","90","","90","","90","","3562.5","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H20 N2 Ni O5 -","- C18 H20 N2 Ni O5 -","- C144 H160 N16 Ni8 O40 -","8","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0787","0.0478","","","0.1092","0.1288","","","","","","1.022","","","","has coordinates","267434","2021-07-09","09:50:57",""
"1564098","19.6607","0.0006","11.8032","0.0004","15.0266","0.0004","90","","90","","90","","3487.06","0.18","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H20.31 N2 Ni O5.16 -","- C18 H20.312 N2 Ni O5.156 -","- C144 H162.496 N16 Ni8 O41.248 -","8","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0394","0.0331","","","0.084","0.0887","","","","","","1.037","","","","has coordinates","267435","2021-07-09","09:52:03",""
"1564099","7.846","0.0002","11.4533","0.0003","12.2907","0.0003","76.702","0.002","79.967","0.002","70.233","0.002","1005.9","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 Ni O6 -","- C20 H26 N2 Ni O6 -","- C40 H52 N4 Ni2 O12 -","2","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0267","0.0242","","","0.0609","0.0625","","","","","","1.038","","","","has coordinates,has disorder","267436","2021-07-09","09:53:01",""
"1564100","14.1325","0.0007","7.4085","0.0004","20.1164","0.0008","90","","93.527","0.004","90","","2102.21","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 N2 Ni O6 -","- C21 H28 N2 Ni O6 -","- C84 H112 N8 Ni4 O24 -","4","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","x-ray","0.71073","MoKα","","0.0739","0.0436","","","0.0826","0.0922","","","","","","1.01","","","","has coordinates","267438","2021-07-09","09:54:20",""
"1564101","17.823","0.011","9.271","0.006","20.329","0.013","90","","114.054","0.01","90","","3067","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Br2 Cu2 N4 -","- C28 H36 Br2 Cu2 N4 -","- C112 H144 Br8 Cu8 N16 -","4","0.5","","Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei","Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds","Inorganica Chimica Acta","2020","512","","119893","","10.1016/j.ica.2020.119893","","","0.71073","MoKα","","0.0908","0.0423","","","0.0868","0.1063","","","","","","0.897","","","","has coordinates","267439","2021-07-09","10:00:31",""
"1564102","16.1765","0.0016","8.3154","0.0008","21.382","0.002","90","","90","","90","","2876.2","0.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H6 Br4 Cu2 N4 -","- C8 H6 Br4 Cu2 N4 -","- C64 H48 Br32 Cu16 N32 -","8","1","","Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei","Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds","Inorganica Chimica Acta","2020","512","","119893","","10.1016/j.ica.2020.119893","","","0.71073","MoKα","","0.053","0.0351","","","0.0809","0.0886","","","","","","1.017","","","","has coordinates","267439","2021-07-09","10:00:32",""
"1564103","8.6212","0.0004","10.6416","0.0005","20.3192","0.0009","90","","90","","90","","1864.15","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl2 Mn N4 O -","- C17 H16 Cl2 Mn N4 O -","- C68 H64 Cl8 Mn4 N16 O4 -","4","1","","Tyagi, Nidhi; Singh, Ovender; Mishra, Rakesh K.; Ghosh, Kaushik","Bio-macromolecular interaction studies: Synthesis, crystal structure of water-soluble manganese(II) complexes","Inorganica Chimica Acta","2020","512","","119882","","10.1016/j.ica.2020.119882","","","0.71073","MoKα","","0.0838","0.0599","","","0.1473","0.1672","","","","","","1.045","","","","has coordinates","267440","2021-07-09","10:04:04",""
"1564111","11.6372","0.0011","17.92","0.0015","13.9861","0.0013","90","","123.001","0.006","90","","2446.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cd N18 O10 -","- C42 H52 Cd N18 O10 -","- C84 H104 Cd2 N36 O20 -","2","0.5","","Liu, Daofu; Zhu, Qiyong; Wen, Guilin; Zhou, Weiwei; Wang, Xiaoling; Liang, Xian; Rong, Jiewei; Shao, Jiantao","Assembly of a Cd(II)-organic framework based on 1,3,5-Tri(1H-imidazol-1-yl)benzene: Synthesis, crystal structure, and luminescent sensing property","Inorganica Chimica Acta","2020","512","","119891","","10.1016/j.ica.2020.119891","","","0.71073","MoKα","","0.0724","0.043","","","0.0946","0.1069","","","","","","1.026","","","","has coordinates","267487","2021-07-13","07:16:53",""
"1564112","14.1963","0.0009","13.9701","0.0009","25.9354","0.0018","90","","90","","90","","5143.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 B6 O2 Ru2 -","- C20 H42 B6 O2 Ru2 -","- C160 H336 B48 O16 Ru16 -","8","1","","Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal","Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study","Inorganica Chimica Acta","2020","512","","119898","","10.1016/j.ica.2020.119898","","","0.71073","MoKα","","0.0971","0.078","","","0.1151","0.1209","","","","","","1.225","","","","has coordinates","267488","2021-07-13","07:22:17",""
"1564113","6.9948","0.0003","12.8459","0.0006","19.5395","0.0009","90","","90","","90","","1755.71","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 B4 Mn2 O7 -","- C10 H16 B4 Mn2 O7 -","- C40 H64 B16 Mn8 O28 -","4","1","","Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal","Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study","Inorganica Chimica Acta","2020","512","","119898","","10.1016/j.ica.2020.119898","","","0.71073","MoKα","","0.0679","0.0397","","","0.0674","0.0781","","","","","","1.012","","","","has coordinates","267488","2021-07-13","07:22:17",""
"1564114","19.2945","0.0005","6.0859","0.0002","37.7878","0.0009","90","","98.136","0.002","90","","4392.5","0.2","290.2","0.3","290.2","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H24 Cl12 Cu2 N4 O18 -","- C28 H24 Cl12 Cu2 N4 O18 -","- C112 H96 Cl48 Cu8 N16 O72 -","4","0.5","","Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue","Doubly mononuclear cocrystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties","Inorganica Chimica Acta","2020","512","","119890","","10.1016/j.ica.2020.119890","","x-ray","0.71073","MoKα","","0.0516","0.0391","","","0.0762","0.0824","","","","","","1.066","","","","has coordinates","267489","2021-07-13","07:27:28",""
"1564115","7.7129","0.0004","9.8035","0.0005","16.0541","0.0009","94.019","0.004","102.129","0.005","106.347","0.005","1127.97","0.11","291.2","0.2","291.2","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cl6 Cu2 N6 O12 -","- C40 H34 Cl6 Cu2 N6 O12 -","- C40 H34 Cl6 Cu2 N6 O12 -","1","0.5","","Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue","Doubly mononuclear cocrystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties","Inorganica Chimica Acta","2020","512","","119890","","10.1016/j.ica.2020.119890","","x-ray","0.71073","MoKα","","0.078","0.0499","","","0.0785","0.0872","","","","","","1.035","","","","has coordinates","267489","2021-07-13","07:27:33",""
"1564116","30.847","0.003","12.3745","0.0011","32.761","0.003","90","","104.489","0.002","90","","12107.7","1.9","153","","153","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H57 Br4 Cl2 Dy N6 O19 Zn2 -","- C51 H57 Br4 Cl2 Dy N6 O19 Zn2 -","- C408 H456 Br32 Cl16 Dy8 N48 O152 Zn16 -","8","1","","Xu, Jianhua; Xia, Xinzhao; Zhang, Geng; Wu, Huilu; Qu, Yao; Xia, Lixian; Han, Xintong","Two heteronuclear ZnII/CdII-DyIII complexes based on open-chain ether schiff base ligand: Synthesis, structures, fluorescence and antioxidation activity","Inorganica Chimica Acta","2020","512","","119918","","10.1016/j.ica.2020.119918","","","0.71073","MoKα","","0.0812","0.0551","","","0.1559","0.171","","","","","","1.039","","","","has coordinates","267491","2021-07-13","08:49:29",""
"1564117","15.794","0.009","14.886","0.008","19.153","0.01","90","","92.091","0.01","90","","4500","4","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Br2 Cd Cl6 Dy N4 O13 -","- C32 H37 Br2 Cd Cl6 Dy N4 O13 -","- C128 H148 Br8 Cd4 Cl24 Dy4 N16 O52 -","4","1","","Xu, Jianhua; Xia, Xinzhao; Zhang, Geng; Wu, Huilu; Qu, Yao; Xia, Lixian; Han, Xintong","Two heteronuclear ZnII/CdII-DyIII complexes based on open-chain ether schiff base ligand: Synthesis, structures, fluorescence and antioxidation activity","Inorganica Chimica Acta","2020","512","","119918","","10.1016/j.ica.2020.119918","","","0.71073","MoKα","","0.1162","0.0653","","","0.0991","0.1145","","","","","","1.03","","","","has coordinates","267492","2021-07-13","08:51:00",""
"1564118","14.8599","0.001","8.3714","0.0006","26.305","0.002","90","","98.725","0.003","90","","3234.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Hg3 N12 S6 -","- C20 H26 Hg3 N12 S6 -","- C80 H104 Hg12 N48 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Nath, Priyatosh; Das, Arijit; Jasinski, Jerry P.; Butcher, Raymond J.; Maiti, Debasish","Bimetallic and trimetallic Cd(II) and Hg(II) mixed-ligand complexes with 1,1-dicyanoethylene-2,2-dithiolate and polyamines: Synthesis, crystal structure, Hirshfeld surface analysis, and antimicrobial study","Inorganica Chimica Acta","2020","512","","119877","","10.1016/j.ica.2020.119877","","","0.71073","MoKα","","0.0905","0.0751","","","0.1198","0.1249","","","","","","1.196","","","","has coordinates","267493","2021-07-13","09:11:02",""
"1564119","10.9071","0.0012","8.8713","0.0008","12.1692","0.0011","90","","110.285","0.011","90","","1104.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cd2 N8 S4 -","- C14 H20 Cd2 N8 S4 -","- C28 H40 Cd4 N16 S8 -","2","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Nath, Priyatosh; Das, Arijit; Jasinski, Jerry P.; Butcher, Raymond J.; Maiti, Debasish","Bimetallic and trimetallic Cd(II) and Hg(II) mixed-ligand complexes with 1,1-dicyanoethylene-2,2-dithiolate and polyamines: Synthesis, crystal structure, Hirshfeld surface analysis, and antimicrobial study","Inorganica Chimica Acta","2020","512","","119877","","10.1016/j.ica.2020.119877","","","0.71073","MoKα","","0.0811","0.0565","","","0.1332","0.1617","","","","","","1.121","","","","has coordinates","267493","2021-07-13","09:11:06",""
"1564120","22.2258","0.0015","13.9795","0.0009","23.028","0.002","90","","118.095","0.001","90","","6311.8","0.8","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H41 Co N2 O18.5 -","- C24 H41 Co N2 O18.5 -","- C192 H328 Co8 N16 O148 -","8","1","","Li, Jing; Liu, Jinjian; Lu, Wenbo","Photochromism and hydrochromism of three complexes based on a new viologen 1-(4-carboxybutyl)-4,4′-bipyridinium ligand","Inorganica Chimica Acta","2020","512","","119921","","10.1016/j.ica.2020.119921","","","0.71073","MoKα","","0.0662","0.0609","","","0.1822","0.1873","","","","","","1.023","","","","has coordinates","267494","2021-07-13","09:17:53",""
"1564121","22.1546","0.0015","13.9895","0.0009","22.906","0.002","90","","117.905","0.002","90","","6273.8","0.8","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H41 N2 Ni O18.5 -","- C24 H41 N2 Ni O18.5 -","- C192 H328 N16 Ni8 O148 -","8","1","","Li, Jing; Liu, Jinjian; Lu, Wenbo","Photochromism and hydrochromism of three complexes based on a new viologen 1-(4-carboxybutyl)-4,4′-bipyridinium ligand","Inorganica Chimica Acta","2020","512","","119921","","10.1016/j.ica.2020.119921","","","0.71073","MoKα","","0.0699","0.0632","","","0.1871","0.1941","","","","","","1.031","","","","has coordinates","267494","2021-07-13","09:17:54",""
"1564122","8.3553","0.0004","10.2916","0.0006","18.607","0.0012","84.655","0.005","87.829","0.004","71.917","0.005","1514.3","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N2 O17 Zn -","- C25 H32 N2 O17 Zn -","- C50 H64 N4 O34 Zn2 -","2","1","","Li, Jing; Liu, Jinjian; Lu, Wenbo","Photochromism and hydrochromism of three complexes based on a new viologen 1-(4-carboxybutyl)-4,4′-bipyridinium ligand","Inorganica Chimica Acta","2020","512","","119921","","10.1016/j.ica.2020.119921","","x-ray","1.54184","CuKα","","0.0546","0.0458","","","0.1269","0.1344","","","","","","1.055","","","","has coordinates","267494","2021-07-13","09:17:54",""
"1564123","7.9428","0.0008","11.1381","0.001","11.4481","0.0007","64.468","0.007","75.279","0.006","89.349","0.007","878.28","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N8 O6 Sn2 -","- C32 H40 N8 O6 Sn2 -","- C32 H40 N8 O6 Sn2 -","1","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","x-ray","0.71073","MoKα","","0.0447","0.0373","","","0.0899","0.099","","","","","","1.072","","","","has coordinates,has disorder","267495","2021-07-13","09:24:14",""
"1564124","10.9058","0.0003","17.7727","0.0004","11.8279","0.0003","90","","108.35","0.001","90","","2175.98","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N8 O4 Sn2 -","- C44 H60 N8 O4 Sn2 -","- C88 H120 N16 O8 Sn4 -","2","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0368","0.0284","","","0.0674","0.07","","","","","","1.061","","","","has coordinates","267496","2021-07-13","09:27:19",""
"1564125","9.7287","0.0004","10.4757","0.0005","12.0768","0.0004","69.493","0.004","85.518","0.003","84.733","0.003","1146.55","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O2 Sn -","- C26 H22 N4 O2 Sn -","- C52 H44 N8 O4 Sn2 -","2","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0447","0.036","","","0.0789","0.0844","","","","","","1.048","","","","has coordinates","267497","2021-07-13","09:28:43",""
"1564126","7.6518","0.0004","11.7797","0.0007","19.1615","0.0012","103.914","0.005","92.098","0.006","92.52","0.005","1672.86","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H80 N16 O8 Sn2 -","- C68 H80 N16 O8 Sn2 -","- C68 H80 N16 O8 Sn2 -","1","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.07","0.0491","","","0.1085","0.1202","","","","","","1.035","","","","has coordinates,has disorder","267498","2021-07-13","09:29:43",""
"1564127","9.834","0.003","11.509","0.003","12.396","0.003","104.527","0.004","108.128","0.004","101.653","0.004","1229.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N8 O4 Sn2 -","- C48 H68 N8 O4 Sn2 -","- C48 H68 N8 O4 Sn2 -","1","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0466","0.0362","","","0.0844","0.0877","","","","","","1.058","","","","has coordinates","267499","2021-07-13","09:31:14",""
"1564128","21.1699","0.0006","12.8679","0.0003","21.5199","0.0007","90","","110.641","0.003","90","","5486","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 N8 O4 Sn2 -","- C59 H55 N8 O4 Sn2 -","- C236 H220 N32 O16 Sn8 -","4","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0627","0.0385","","","0.0839","0.0947","","","","","","1.004","","","","has coordinates,has disorder","267500","2021-07-13","09:32:59",""
"1564129","17.9878","0.0006","13.0353","0.0004","8.2291","0.0004","90","","100.304","0.004","90","","1898.41","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 Sn -","- C20 H18 N4 O2 Sn -","- C80 H72 N16 O8 Sn4 -","4","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0395","0.0262","","","0.0631","0.0707","","","","","","1.05","","","","has coordinates","267501","2021-07-13","09:34:09",""
"1564130","9.2625","0.0002","11.1335","0.0003","13.2333","0.0003","65.6394","0.0009","76.6248","0.0008","79.6912","0.0009","1204.07","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O2 Sn -","- C26 H30 N4 O2 Sn -","- C52 H60 N8 O4 Sn2 -","2","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0342","0.0281","","","0.0695","0.0712","","","","","","1.019","","","","has coordinates","267502","2021-07-13","09:35:31",""
"1564131","12.3732","0.0005","8.3763","0.0003","13.0947","0.0006","90","","99.778","0.004","90","","1337.44","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0624","0.0495","","","0.1341","0.146","","","","","","1.035","","","","has coordinates","267503","2021-07-13","09:36:43",""
"1564132","3.7418","0.0002","15.0487","0.001","10.7259","0.0007","90","","95.551","0.002","90","","601.13","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl Co N -","- C6 H5 Cl Co N -","- C24 H20 Cl4 Co4 N4 -","4","1","","Saleh, Hatem A.M.; Mantasha, I.; Qasem, Khalil M.A.; Shahid, M.; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Ahmad, Musheer","A two dimensional Co(II) metal‒organic framework with bey topology for excellent dye adsorption and separation: Exploring kinetics and mechanism of adsorption","Inorganica Chimica Acta","2020","512","","119900","","10.1016/j.ica.2020.119900","","","0.71073","MoKα","","0.0314","0.0293","","","0.0728","0.0744","","","","","","1.0523","","","","has coordinates","267504","2021-07-13","09:41:14",""
"1564133","9.0574","0.0004","14.7045","0.0007","12.2035","0.0006","90","","98.495","0.001","90","","1607.49","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd N2 O11 -","- C14 H14 Cd N2 O11 -","- C56 H56 Cd4 N8 O44 -","4","1","","Kamal, Samrah; Khalid, Mohd; Shahnawaz Khan, M.; Shahid, M.; Ashafaq, Mo.; I., Mantasha; Shahwaz Ahmad, M.; Ahmad, Musheer; Faizan, Mohd; Ahmad, Shabbir","Synthesis, characterization and DFT studies of water stable Cd(II) metal‒organic clusters with better adsorption property towards the organic pollutant in waste water","Inorganica Chimica Acta","2020","512","","119872","","10.1016/j.ica.2020.119872","","","0.71073","MoKα","","0.0275","0.0242","","","0.0482","0.0497","","","","","","1.0818","","","","has coordinates","267505","2021-07-13","09:48:12",""
"1564134","8.7148","0.0003","10.8555","0.0003","12.0902","0.0004","70.224","0.001","80.437","0.001","70.204","0.001","1011","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cd4 Cl2 N4 O26 -","- C28 H34 Cd4 Cl2 N4 O26 -","- C28 H34 Cd4 Cl2 N4 O26 -","1","0.5","","Kamal, Samrah; Khalid, Mohd; Shahnawaz Khan, M.; Shahid, M.; Ashafaq, Mo.; I., Mantasha; Shahwaz Ahmad, M.; Ahmad, Musheer; Faizan, Mohd; Ahmad, Shabbir","Synthesis, characterization and DFT studies of water stable Cd(II) metal‒organic clusters with better adsorption property towards the organic pollutant in waste water","Inorganica Chimica Acta","2020","512","","119872","","10.1016/j.ica.2020.119872","","","0.71073","MoKα","","0.0477","0.0388","","","0.0928","0.0983","","","","","","1.1","","","","has coordinates","267505","2021-07-13","09:48:25",""
"1564135","12.2867","0.0004","20.5946","0.0007","18.8494","0.0006","90","","91.844","0.002","90","","4767.2","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 As2 Cl N3 O2 Ru S -","- C55 H42 As2 Cl N3 O2 Ru S -","- C220 H168 As8 Cl4 N12 O8 Ru4 S4 -","4","1","","Vijayapritha, Subbarayan; Murugan, Kaliyappan; Viswanathamurthi, Periasamy; Vijayan, Paranthaman; Kalaiarasi, Chinnasamy","Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer","Inorganica Chimica Acta","2020","512","","119887","","10.1016/j.ica.2020.119887","","","0.71073","MoKα","","0.0748","0.0446","","","0.1191","0.1615","","","","","","0.824","","","","has coordinates","267506","2021-07-13","09:53:14",""
"1564136","11.8308","0.0002","25.8399","0.0005","15.0943","0.0003","90","","108.415","0.001","90","","4378.14","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 As2 N3 O2 Ru S -","- C51 H39 As2 N3 O2 Ru S -","- C204 H156 As8 N12 O8 Ru4 S4 -","4","1","","Vijayapritha, Subbarayan; Murugan, Kaliyappan; Viswanathamurthi, Periasamy; Vijayan, Paranthaman; Kalaiarasi, Chinnasamy","Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer","Inorganica Chimica Acta","2020","512","","119887","","10.1016/j.ica.2020.119887","","","0.71073","MoKα","","0.0448","0.0293","","","0.0649","0.07","","","","","","1.028","","","","has coordinates","267506","2021-07-13","09:53:14",""
"1564137","9.417","0.003","15.135","0.005","18.573","0.006","86.467","0.003","80.733","0.004","75.85","0.003","2532.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H54 O36 P2 Pt18 -","- C84 H54 O36 P2 Pt18 -","- C84 H54 O36 P2 Pt18 -","1","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1331","0.063","","","0.1473","0.1727","","","","","","1.002","","","","has coordinates","267507","2021-07-13","10:04:22",""
"1564138","16.19","0.002","25.344","0.004","20.94","0.004","90","","103.531","0.003","90","","8354","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H42 O30 P2 Pt15 -","- C72 H42 O30 P2 Pt15 -","- C288 H168 O120 P8 Pt60 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1527","0.0962","","","0.2495","0.293","","","","","","1.034","","","","has coordinates","267508","2021-07-13","10:06:02",""
"1564139","20.523","0.008","24.368","0.009","14.148","0.005","90","","113.692","0.004","90","","6479","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H45 N5 O19 Pt9 -","- C53 H45 N5 O19 Pt9 -","- C212 H180 N20 O76 Pt36 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1628","0.0616","","","0.1388","0.1831","","","","","","0.998","","","","has coordinates,has disorder","267509","2021-07-13","10:07:31",""
"1564140","15.2489","0.0018","12.6172","0.0015","20.066","0.003","90","","102.271","0.004","90","","3772.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H76 Cl4 O2 P6 Pt2 -","- C82 H76 Cl4 O2 P6 Pt2 -","- C164 H152 Cl8 O4 P12 Pt4 -","2","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.0643","0.0551","","","0.1189","0.123","","","","","","1.166","","","","has coordinates","267510","2021-07-13","10:08:57",""
"1564141","22.6369","0.0017","14.3468","0.001","28.33","0.002","90","","98.264","0.003","90","","9105.1","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H106 N10 Pt5 -","- C104 H106 N10 Pt5 -","- C416 H424 N40 Pt20 -","4","1","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.0678","0.061","","","0.1394","0.144","","","","","","1.24","","","","has coordinates","267511","2021-07-13","10:09:55",""
"1564142","14.907","0.003","15.808","0.003","27.254","0.005","101.111","0.006","92.914","0.006","117.372","0.005","5524.3","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H117 N13 O Pt9 -","- C118 H117 N13 O Pt9 -","- C236 H234 N26 O2 Pt18 -","2","1","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1949","0.1534","","","0.3457","0.3708","","","","","","1.265","","","","has coordinates,has disorder","267512","2021-07-13","10:10:57",""
"1564143","15.5558","0.0014","20.2991","0.0018","27.299","0.003","90","","106.16","0.002","90","","8279.6","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H68 N4 O22 P2 Pt12 -","- C72 H68 N4 O22 P2 Pt12 -","- C288 H272 N16 O88 P8 Pt48 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1068","0.0806","","","0.1842","0.2004","","","","","","1.163","","","","has coordinates,has disorder","267513","2021-07-13","10:12:40",""
"1564144","12.7967","0.0005","13.1827","0.0005","16.4819","0.0006","94.465","0.002","99.793","0.002","109.048","0.002","2563.2","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H45 N3 O18 Pt9 -","- C39 H45 N3 O18 Pt9 -","- C78 H90 N6 O36 Pt18 -","2","1","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.0483","0.0431","","","0.1157","0.1191","","","","","","1.11","","","","has coordinates,has disorder","267514","2021-07-13","10:13:50",""
"1564149","8.54575","0.00008","13.85892","0.00012","18.16386","0.00014","90","","90","","90","","2151.23","0.03","149.7","0.4","149.7","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C96 H104 N8 O8 S4 -","4","1","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.027","0.0267","","","0.0706","0.0708","","","","","","1.076","","","","has coordinates","267546","2021-07-15","07:38:12",""
"1564150","9.27344","0.0001","43.5007","0.0005","10.82622","0.00014","90","","90","","90","","4367.31","0.09","290.69","0.1","290.69","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 N4 O4 S2 Zn2 -","- C44 H60 N4 O4 S2 Zn2 -","- C176 H240 N16 O16 S8 Zn8 -","4","1","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0806","0.0811","","","","","","1.065","","","","has coordinates","267546","2021-07-15","07:38:13",""
"1564151","11.5916","0.0002","11.5916","0.0002","34.5612","0.0005","90","","90","","120","","4021.67","0.11","290.73","0.1","290.73","0.1","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C52 H60 N4 O4 S2 Zn2 -","- C52 H60 N4 O4 S2 Zn2 -","- C156 H180 N12 O12 S6 Zn6 -","3","0.5","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.0627","0.0548","","","0.1313","0.1368","","","","","","1.026","","","","has coordinates","267546","2021-07-15","07:38:13",""
"1564152","15.2025","0.0012","15.1015","0.0012","20.6849","0.0016","90","","91.158","0.002","90","","4747.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co2 Dy4 N10 O34 -","- C90 H92 Co2 Dy4 N10 O34 -","- C180 H184 Co4 Dy8 N20 O68 -","2","0.5","","Wang, Yingying; Yuan, Zhuangdong; Ren, Hong; Xu, Weiyu; Xu, Jiali; Zhang, Huanzhen; Sha, Jingquan; Zhang, Haifeng","Structures and magnetic properties of two hexanuclear [Co2Ln4]complexes","Inorganica Chimica Acta","2020","511","","119786","","10.1016/j.ica.2020.119786","","","0.71073","MoKα","","0.0399","0.0263","","","0.055","0.0589","","","","","","1.079","","","","has coordinates","267547","2021-07-15","07:42:38",""
"1564153","15.199","0.003","15.165","0.003","20.787","0.004","90","","91.18","0.003","90","","4790.2","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co2 Gd4 N10 O34 -","- C90 H92 Co2 Gd4 N10 O34 -","- C180 H184 Co4 Gd8 N20 O68 -","2","0.5","","Wang, Yingying; Yuan, Zhuangdong; Ren, Hong; Xu, Weiyu; Xu, Jiali; Zhang, Huanzhen; Sha, Jingquan; Zhang, Haifeng","Structures and magnetic properties of two hexanuclear [Co2Ln4]complexes","Inorganica Chimica Acta","2020","511","","119786","","10.1016/j.ica.2020.119786","","","0.71073","MoKα","","0.0716","0.0347","","","0.0678","0.079","","","","","","1.01","","","","has coordinates","267547","2021-07-15","07:42:39",""
"1564154","7.4256","0.0001","10.471","0.0002","10.6081","0.0002","107.92","0.001","103.47","0.001","103.663","0.001","719.73","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Bi2 Cl10 N4 O2 -","- C12 H24 Bi2 Cl10 N4 O2 -","- C12 H24 Bi2 Cl10 N4 O2 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0147","0.0136","","","0.0331","0.0335","","","","","","1.053","","","","has coordinates","267548","2021-07-15","07:49:39",""
"1564155","9.1931","0.0003","11.2082","0.0004","11.2833","0.0004","102.691","0.001","105.527","0.001","103.997","0.001","1035.39","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0274","0.0197","","","0.0383","0.0399","","","","","","1.02","","","","has coordinates","267548","2021-07-15","07:49:40",""
"1564156","7.4346","0.0001","10.4198","0.0002","10.6765","0.0002","103.796","0.001","107.54","0.001","97.216","0.001","748.25","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Bi2 Cl8 N6 O8 -","- C12 H24 Bi2 Cl8 N6 O8 -","- C12 H24 Bi2 Cl8 N6 O8 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0173","0.0153","","","0.0331","0.0336","","","","","","1.033","","","","has coordinates","267548","2021-07-15","07:49:40",""
"1564157","7.6329","0.0004","10.6904","0.0006","10.9544","0.0006","104.146","0.002","106.595","0.002","98.541","0.002","807.41","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Bi2 Br8 N6 O8 -","- C12 H24 Bi2 Br8 N6 O8 -","- C12 H24 Bi2 Br8 N6 O8 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0207","0.0165","","","0.0355","0.0368","","","","","","1.032","","","","has coordinates","267548","2021-07-15","07:49:40",""
"1564158","7.99","0.0016","13.145","0.003","14.698","0.003","90","","99.84","0.03","90","","1521","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Hg I2 N2 O2 -","- C10 H16 Hg I2 N2 O2 -","- C40 H64 Hg4 I8 N8 O8 -","4","1","","Cho, Minji; Shin, Hye Jin; Kusumahastuti, Dewi K.A.; Yeo, Hyeonuk; Min, Kil Sik","Monomeric and tetrameric mercury(II) complexes with iodo and N2O2/N3O ligands: Structure and blue luminescence","Inorganica Chimica Acta","2020","511","","119789","","10.1016/j.ica.2020.119789","","","0.62998","synchrotron","","0.0411","0.039","","","0.1124","0.1143","","","","","","1.093","","","","has coordinates","267549","2021-07-15","07:59:47",""
"1564159","9.797","0.002","16.4","0.003","16.66","0.003","115.56","0.03","98.51","0.03","102.63","0.03","2265.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Hg4 I8 N6 O2 -","- C28 H34 Hg4 I8 N6 O2 -","- C56 H68 Hg8 I16 N12 O4 -","2","1","","Cho, Minji; Shin, Hye Jin; Kusumahastuti, Dewi K.A.; Yeo, Hyeonuk; Min, Kil Sik","Monomeric and tetrameric mercury(II) complexes with iodo and N2O2/N3O ligands: Structure and blue luminescence","Inorganica Chimica Acta","2020","511","","119789","","10.1016/j.ica.2020.119789","","","0.62","synchrotron","","0.0715","0.0471","","","0.1234","0.139","","","","","","0.977","","","","has coordinates","267549","2021-07-15","07:59:47",""
"1564160","12.2043","0.0003","12.2043","0.0003","76.2069","0.0017","90","","90","","120","","9829.9","0.4","150","2","150","2","","","","","","","","7","P 65","P 65","170","","","","- C64 H52 Cl2 Mo2 N2 O9 P2 -","- C64 H52 Cl2 Mo2 N2 O9 P2 -","- C384 H312 Cl12 Mo12 N12 O54 P12 -","6","1","","Mahmoudi, Hamed; Bagherzadeh, Mojtaba; Ataie, Saeed; Kia, Reza; Heydar Moravej, Seyed; Zare, Maryam; Raithby, Paul R.; Ferlin, Francesco; Vaccaro, Luigi","Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation","Inorganica Chimica Acta","2020","511","","119775","","10.1016/j.ica.2020.119775","","","1.54184","CuKα","","0.0615","0.051","","","0.1127","0.1174","","","","","","1.029","","","","has coordinates,has disorder","267550","2021-07-15","08:18:35",""
"1564161","19.6604","0.0011","8.7608","0.0003","20.8479","0.0011","90","","100.266","0.004","90","","3533.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl2 Fe N4 Pd -","- C36 H40 Cl2 Fe N4 Pd -","- C144 H160 Cl8 Fe4 N16 Pd4 -","4","1","","Yenisarı, Betül; Fırıncı, Rukiye; Özdemir, Namık; Günay, M. Emin","Synthesis of ferrocenyl imidazolium salts and their novel PEPPSI-type N-heterocyclic carbene (NHC) palladium complexes","Inorganica Chimica Acta","2020","511","","119792","","10.1016/j.ica.2020.119792","","","0.71073","MoKα","","0.1663","0.0524","","","0.0637","0.0825","","","","","","0.804","","","","has coordinates","267551","2021-07-15","08:24:25",""
"1564162","7.3883","0.0005","12.1643","0.0008","13.4322","0.0009","63.974","0.005","74.63","0.005","78.015","0.004","1040.15","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Fe N2 S -","- C24 H26 Fe N2 S -","- C48 H52 Fe2 N4 S2 -","2","1","","Yenisarı, Betül; Fırıncı, Rukiye; Özdemir, Namık; Günay, M. Emin","Synthesis of ferrocenyl imidazolium salts and their novel PEPPSI-type N-heterocyclic carbene (NHC) palladium complexes","Inorganica Chimica Acta","2020","511","","119792","","10.1016/j.ica.2020.119792","","","0.71073","MoKα","","0.0685","0.0426","","","0.0887","0.0968","","","","","","1.001","","","","has coordinates","267551","2021-07-15","08:24:43",""
"1564163","12.79","0.002","5.5561","0.0004","18.9792","0.0019","90","","107.963","0.014","90","","1283","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F4 Mn N4 O12 -","- C22 H18 F4 Mn N4 O12 -","- C44 H36 F8 Mn2 N8 O24 -","2","0.5","","Feng, Junyang; Li, Ying; Chen, Wanyao; Meng, Xiangru; Li, Gang","Proton conductive properties of two Mn/Pb complexes constructed by difluorophenyl imidazole dicarboxylate","Inorganica Chimica Acta","2020","511","","119800","","10.1016/j.ica.2020.119800","","","0.71073","MoKα","","0.0653","0.0444","","","0.0983","0.1116","","","","","","1.046","","","","has coordinates","267552","2021-07-15","08:54:32",""
"1564164","9.8173","0.0002","22.1046","0.0005","11.9889","0.0003","90","","102.91","0.002","90","","2535.92","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F4 N4 O12 Pb -","- C22 H18 F4 N4 O12 Pb -","- C88 H72 F16 N16 O48 Pb4 -","4","1","","Feng, Junyang; Li, Ying; Chen, Wanyao; Meng, Xiangru; Li, Gang","Proton conductive properties of two Mn/Pb complexes constructed by difluorophenyl imidazole dicarboxylate","Inorganica Chimica Acta","2020","511","","119800","","10.1016/j.ica.2020.119800","","","0.71073","MoKα","","0.0495","0.0329","","","0.0523","0.0571","","","","","","1.009","","","","has coordinates","267552","2021-07-15","08:54:32",""
"1564165","16.0083","0.0006","16.0083","0.0006","29.6119","0.0011","90","","90","","90","","7588.5","0.5","120","2","120","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C67 H90 Cl3 Co2 N19 O10 -","- C64 H64 Co2 N19 O2 -","- C256 H256 Co8 N76 O8 -","4","0.25","","Wang, Min-Min; Wang, Chun; Wang, Miao; Wang, Jin; Zhu, Jin-Li; Hu, Lan-Ping; Sun, Tong-Ming; Tang, Yan-Feng","Synthesis and magnetic property of a cobalt complex constructed by a linear Co‒NNN‒Co unit","Inorganica Chimica Acta","2020","511","","119804","","10.1016/j.ica.2020.119804","","","1.54184","CuKα","","0.1262","0.0802","","","0.2172","0.2487","","","","","","1.074","","","","has coordinates","267553","2021-07-15","09:00:36",""
"1564166","8.743","0.0003","10.416","0.0004","12.505","0.0005","71.071","0.004","80.263","0.003","75.858","0.004","1039.54","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cd N2 O7 -","- C23 H17 Cd N2 O7 -","- C46 H34 Cd2 N4 O14 -","2","1","","He, Yuan-Chun; Yuan, Zi-Han; Zhang, Jie; Xiao, Li-Yuan; Wang, Yan; Xu, Na","Two 2-fold interpenetrating three-dimensional coordination polymers based on two-fold deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and 1,4-bis((1H-imidazol-1-yl)methyl)benzene: Syntheses, structures and properties","Inorganica Chimica Acta","2020","511","","119802","","10.1016/j.ica.2020.119802","","","0.71069","MoKα","","0.0279","0.0252","","","0.055","0.057","","","","","","1.062","","","","has coordinates","267554","2021-07-15","09:23:51",""
"1564167","8.802","0.0007","10.272","0.0008","12.346","0.0008","71.776","0.006","80.416","0.006","75.497","0.006","1021.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Mn N2 O7 -","- C23 H17 Mn N2 O7 -","- C46 H34 Mn2 N4 O14 -","2","1","","He, Yuan-Chun; Yuan, Zi-Han; Zhang, Jie; Xiao, Li-Yuan; Wang, Yan; Xu, Na","Two 2-fold interpenetrating three-dimensional coordination polymers based on two-fold deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and 1,4-bis((1H-imidazol-1-yl)methyl)benzene: Syntheses, structures and properties","Inorganica Chimica Acta","2020","511","","119802","","10.1016/j.ica.2020.119802","","","0.71069","MoKα","","0.0511","0.0391","","","0.0866","0.0939","","","","","","1.044","","","","has coordinates","267554","2021-07-15","09:23:51",""
"1564168","7.7174","0.0011","11.3008","0.0011","24.068","0.002","90","","97.669","0.005","90","","2080.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu2 O17 -","- C18 H17 Cu2 O17 -","- C72 H68 Cu8 O68 -","4","0.5","","I., Mantasha; Saleh, Hatem A.M.; Qasem, Khalil M.A.; Shahid, M.; Mehtab, Mohd; Ahmad, Musheer","Efficient and selective adsorption and separation of methylene blue (MB) from mixture of dyes in aqueous environment employing a Cu(II) based metal organic framework","Inorganica Chimica Acta","2020","511","","119787","","10.1016/j.ica.2020.119787","","","0.71073","MoKα","","0.0473","0.0379","","","0.0963","0.106","","","","","","1.0898","","","","has coordinates","267555","2021-07-15","09:28:42",""
"1564169","8.4875","0.0005","10.6929","0.0006","12.8734","0.0008","70.13","0.003","84.944","0.003","78.415","0.003","1076.15","0.11","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C14.5 H17 N4 O6.5 Re S -","- C14.5 H17 N4 O6.5 Re S -","- C29 H34 N8 O13 Re2 S2 -","2","1","","Kyriazopoulos, Achilleas; Alexiou, Aikaterini-Lamprini; Miliotou, Androulla; Papadopoulou, Lefkothea; Hatzidimitriou, Antonios; Papagiannopoulou, Dionysia","Effect of the triphenylphosphonium cation on the biological properties of new rhenium and technetium-99m fac-[M(CO)3(NSN)]±-type complexes: Synthesis, structural characterization, in vitro and in vivo studies","Inorganica Chimica Acta","2020","511","","119807","","10.1016/j.ica.2020.119807","","","0.71073","MoKα","","0.0643","0.0382","","0.0818","0.076","0.076","","","","","","0.9999","","","","has coordinates","267556","2021-07-15","09:34:58",""
"1564170","14.198","0.004","7.011","0.002","29.931","0.006","90","","99.123","0.01","90","","2941.7","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cl3 Mn N7 O4 -","- C29 H23 Cl3 Mn N7 O4 -","- C116 H92 Cl12 Mn4 N28 O16 -","4","1","","Mansour, Ahmed M.; Radacki, Krzysztof","Spectroscopic and antimicrobial activity of photoactivatable tricarbonyl Mn(I) terpyridine compounds","Inorganica Chimica Acta","2020","511","","119806","","10.1016/j.ica.2020.119806","","","0.71073","MoKα","","0.049","0.0401","","","0.0853","0.0883","","","","","","1.135","","","","has coordinates","267557","2021-07-15","09:39:27",""
"1564171","18.712","0.003","16.82","0.003","15.504","0.003","90","","126.469","0.003","90","","3924.1","1.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H19.99 Cl3 N3 O4.5 Pt1.5 -","- C14 H19.99 Cl3 N3 O4.495 Pt1.5 -","- C112 H159.92 Cl24 N24 O35.96 Pt12 -","8","1","","Teles, Catherine M.; Antunes, Víctor U.; Cardoso, Raquel S.; Candido, Tuany Z.; Lima, Carmen S.P.; Ruiz, Ana Lúcia T.G.; Juliano, Maria A.; Favaro, Denize C.; Abbehausen, Camilla","Functionalization of new anticancer Pt(II) complex with transferrin receptor binding peptide","Inorganica Chimica Acta","2020","511","","119811","","10.1016/j.ica.2020.119811","","","0.71073","MoKα","","0.0147","0.0125","","","0.0299","0.0306","","","","","","1.036","","","","has coordinates","267558","2021-07-15","09:45:36",""
"1564172","8.4202","0.0006","9.3491","0.0006","14.3933","0.0009","93.62","0.002","103.842","0.002","98.215","0.002","1083.27","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Mo N4 O5 -","- C6 H8 Mo N4 O5 -","- C24 H32 Mo4 N16 O20 -","4","2","","Bruno, Sofia M.; Amarante, Tatiana R.; Almeida Paz, Filipe A.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Oxidation of sulfides in aqueous media catalyzed by pyrazole-oxidoperoxido-molybdenum(VI) complexes","Inorganica Chimica Acta","2020","511","","119814","","10.1016/j.ica.2020.119814","","","0.71073","MoKα","","0.0212","0.0196","","","0.0505","0.0515","","","","","","1.16","","","","has coordinates","267559","2021-07-15","09:51:39",""
"1564173","8.6007","0.0004","13.1512","0.0007","14.6215","0.0007","115.385","0.002","91.606","0.002","108.698","0.001","1388.58","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 Mo8 N12 O30.2 -","- C30 H60 Mo8 N12 O30.2 -","- C30 H60 Mo8 N12 O30.2 -","1","0.5","","Bruno, Sofia M.; Amarante, Tatiana R.; Almeida Paz, Filipe A.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Oxidation of sulfides in aqueous media catalyzed by pyrazole-oxidoperoxido-molybdenum(VI) complexes","Inorganica Chimica Acta","2020","511","","119814","","10.1016/j.ica.2020.119814","","","0.71073","MoKα","","0.0184","0.0168","","","0.0436","0.0444","","","","","","1.169","","","","has coordinates,has disorder","267559","2021-07-15","09:51:40",""
"1564174","10.1089","0.0002","18.082","0.0003","16.6095","0.0003","90","","104.674","0.0007","90","","2937.01","0.09","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H46.5 Br2 Cl2 N4 Na2 Ni O14.5 -","- C54 H46.5 Br2 Cl2 N4 Na2 Ni O14.5 -","- C108 H93 Br4 Cl4 N8 Na4 Ni2 O29 -","2","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0394","0.0346","","","0.088","0.0897","","","","","","1.05","","","","has coordinates,has disorder","267560","2021-07-15","09:57:51",""
"1564175","44.4417","0.001","44.4417","0.001","11.323","0.0003","90","","90","","120","","19367.5","0.8","100","","100","","","","","","","","","7","R 3 :H","R 3","146","","","","- C58 H52 Br2 N4 Na2 Ni4 O12 -","- C58 H52 Br2 N4 Na1.99983 Ni4 O12 -","- C522 H468 Br18 N36 Na17.9985 Ni36 O108 -","9","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0536","0.0503","","","0.1305","0.1327","","","","","","1.159","","","","has coordinates,has disorder","267561","2021-07-15","09:59:02",""
"1564176","14.7935","0.0004","20.7861","0.0006","41.1035","0.0012","90","","90","","90","","12639.3","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105.48 H139.19 Cl2.5 N6 Na1.5 Ni6 O37.75 -","- C105.48 H139.19 Cl2.5 N6 Na1.5 Ni6 O37.75 -","- C421.92 H556.759 Cl10 N24 Na6 Ni24 O151 -","4","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0911","0.06","","","0.1417","0.1557","","","","","","1.03","","","","has coordinates,has disorder","267562","2021-07-15","10:02:10",""
"1564177","7.5603","0.0004","15.3841","0.0009","16.8771","0.001","90","","94.502","0.002","90","","1956.89","0.19","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Gd2 N2 O12 -","- C14 H8 Gd2 N2 O10 -","- C56 H32 Gd8 N8 O40 -","4","1","","Wei, Wei; Zhang, Kai; Wang, Xue-Ting; Du, Shao-Wu","Construction of a highly stable lanthanide metal-organic framework for effective detection of aryl-organophosphorus flame retardants in simulated wastewater and fruit juices","Inorganica Chimica Acta","2020","511","","119840","","10.1016/j.ica.2020.119840","","","0.71073","MoKα","","0.0686","0.0398","","","0.0747","0.0842","","","","","","0.993","","","","has coordinates","267587","2021-07-16","08:25:36",""
"1564178","7.5852","0.0001","15.478","0.0003","16.9013","0.0003","90","","94.578","0.001","90","","1977.94","0.06","100","2","100.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Eu2 N2 O12 -","- C14 H8 Eu2 N2 O10 -","- C56 H32 Eu8 N8 O40 -","4","1","","Wei, Wei; Zhang, Kai; Wang, Xue-Ting; Du, Shao-Wu","Construction of a highly stable lanthanide metal-organic framework for effective detection of aryl-organophosphorus flame retardants in simulated wastewater and fruit juices","Inorganica Chimica Acta","2020","511","","119840","","10.1016/j.ica.2020.119840","","","0.71073","MoKα","","0.0239","0.0198","","","0.0374","0.0421","","","","","","1.094","","","","has coordinates","267587","2021-07-16","08:25:37",""
"1564179","7.5401","0.001","15.34","0.0014","16.8317","0.0019","90","","94.438","0.005","90","","1941","0.4","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O12 Tb2 -","- C14 H8 N2 O10 Tb2 -","- C56 H32 N8 O40 Tb8 -","4","1","","Wei, Wei; Zhang, Kai; Wang, Xue-Ting; Du, Shao-Wu","Construction of a highly stable lanthanide metal-organic framework for effective detection of aryl-organophosphorus flame retardants in simulated wastewater and fruit juices","Inorganica Chimica Acta","2020","511","","119840","","10.1016/j.ica.2020.119840","","","0.71073","MoKα","","0.0757","0.0421","","","0.0794","0.0904","","","","","","1.02","","","","has coordinates","267587","2021-07-16","08:25:37",""
"1564180","8.3309","0.0006","11.9489","0.0019","19.6741","0.0015","98.623","0.009","91.246","0.006","104.582","0.01","1870.3","0.4","296.08","0.11","296.08","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 N5 Na2 O16 V2 -","- C30 H37 N5 Na2 O16 V2 -","- C60 H74 N10 Na4 O32 V4 -","2","1","","Kurbah, Sunshine Dominic; Clovis, Ndege Simisi","Supramolecular bimetallic vanadium(V) complex driven by hydrogen bonding and O∙∙∙O chalcogen bonding interaction: Oxidation of cyclohexane and its application toward C H bond activation","Inorganica Chimica Acta","2020","511","","119837","","10.1016/j.ica.2020.119837","","x-ray","0.71073","MoKα","","0.1559","0.1357","","","0.3849","0.4016","","","","","","1.512","","","","has coordinates","267588","2021-07-16","08:32:26",""
"1564181","6.9141","0.0009","18.071","0.002","19.864","0.002","90","","95.225","0.003","90","","2471.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H108 Mg6 N8 O68 -","- C76 H108 Mg6 N8 O68 -","- C76 H108 Mg6 N8 O68 -","1","0.25","","Cao, Xiujun; Zhang, Xiaolong; Zhang, Mingdao; Hu, Jinsong","A highly selective and sensitive bifunctional luminescent sensor for TNP and Iron ion based on magnesium coordination polymer","Inorganica Chimica Acta","2020","511","","119836","","10.1016/j.ica.2020.119836","","","0.71073","MoKα","","0.1077","0.0935","","","0.2667","0.2757","","","","","","1.138","","","","has coordinates,has disorder","267589","2021-07-16","08:39:16",""
"1564182","10.8689","0.0018","12.278","0.002","16.906","0.003","104.512","0.002","93.874","0.003","101.256","0.003","2125.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Eu3 N2 O21 -","- C42 H34 Eu3 N2 O21 -","- C84 H68 Eu6 N4 O42 -","2","1","","Zhao, Jiao-Jiao; Liu, Peng-Yu; Dong, Zhen-Peng; Liu, Zhi-Liang; Wang, Yan-Qin","Eu(III)-organic framework as a multi-responsive photoluminescence sensor for efficient detection of 1-naphthol, Fe3+ and MnO4− in water","Inorganica Chimica Acta","2020","511","","119843","","10.1016/j.ica.2020.119843","","","0.71073","MoKα","","0.0444","0.0335","","","0.0683","0.0725","","","","","","1.02","","","","has coordinates","267590","2021-07-16","08:45:33",""
"1564183","17.8379","0.0006","7.1589","0.0002","11.5293","0.0004","90","","118.005","0.005","90","","1299.89","0.09","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","potassium pentacyanonitrosylchromate(I) dihydrate","","- C5 H4 Cr K3 N6 O3 -","- C5 H4 Cr K3 N6 O3 -","- C20 H16 Cr4 K12 N24 O12 -","4","1","","Piro, Oscar E.; Echeverría, Gustavo A.; Navaza, Alda; Güida, Jorge A.","Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry","Inorganica Chimica Acta","2020","511","","119831","","10.1016/j.ica.2020.119831","","x-ray","0.71073","MoKα","","0.0299","0.0274","","","0.0645","0.0671","","","","","","1.081","","","","has coordinates","267591","2021-07-16","08:50:53",""
"1564184","8.7285","0.0017","10.412","0.002","12.03","0.002","80.14","0.03","78.3","0.03","79.23","0.03","1041.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N2 O Pt -","- C25 H22 N2 O Pt -","- C50 H44 N4 O2 Pt2 -","2","1","","Noori, Maryam; Shafaatian, Bita; Notash, Behrouz","New organoplatinum complexes containing di-2-pyridyl ketone; single crystal structure determination, solvatochromism and kinetic investigations","Inorganica Chimica Acta","2020","511","","119851","","10.1016/j.ica.2020.119851","","","0.71073","MoKα","","0.095","0.0546","","","0.0985","0.1068","","","","","","0.855","","","","has coordinates","267592","2021-07-16","09:20:16",""
"1564185","6.0546","0.0003","14.8826","0.0007","21.5386","0.0011","90","","92.361","0.002","90","","1939.16","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br6 Cd N8 O12 -","- C28 H26 Br6 Cd N8 O12 -","- C56 H52 Br12 Cd2 N16 O24 -","2","0.5","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Multi-responsive luminescence sensing behaviour of a pair of temperature-dependent Cd(II) coordination polymers","Inorganica Chimica Acta","2020","511","","119852","","10.1016/j.ica.2020.119852","","","0.71073","MoKα","","0.0644","0.0473","","","0.1234","0.1324","","","","","","1.063","","","","has coordinates","267593","2021-07-16","09:29:24",""
"1564186","8.8896","0.0004","11.6244","0.0005","12.1041","0.0006","102.011","0.002","93.756","0.002","102.441","0.001","1186.68","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Br6 Cd N14 O10 -","- C40 H34 Br6 Cd N14 O10 -","- C40 H34 Br6 Cd N14 O10 -","1","0.5","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Multi-responsive luminescence sensing behaviour of a pair of temperature-dependent Cd(II) coordination polymers","Inorganica Chimica Acta","2020","511","","119852","","10.1016/j.ica.2020.119852","","","0.71073","MoKα","","0.0435","0.032","","","0.0723","0.0764","","","","","","1.081","","","","has coordinates","267593","2021-07-16","09:29:24",""
"1564187","14.9264","0.0018","6.5398","0.0008","7.3558","0.0009","90","","91.63","0.002","90","","717.75","0.15","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Mn N2 O6 -","- C14 H12 Mn N2 O6 -","- C28 H24 Mn2 N4 O12 -","2","0.5","","Luo, Yanan; Kong, Miao; Ren, Hao; Gao, Yongwei; Yu, Xiaoyang","A new 3D Mn(II) coordination polymer: Synthesis, crystal structure and photoelectrical property","Inorganica Chimica Acta","2020","511","","119834","","10.1016/j.ica.2020.119834","","","0.71073","MoKα","","0.0389","0.03","","","0.0666","0.0701","","","","","","1.05","","","","has coordinates","267594","2021-07-16","09:33:09",""
"1564188","8.029","0.008","9.313","0.01","16.203","0.016","100.87","0.03","103.33","0.03","93.63","0.04","1151","2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N2 O12 Zn2 -","- C19 H21 N2 O12 Zn2 -","- C38 H42 N4 O24 Zn4 -","2","1","","Buasakun, Jiraporn; Srilaoong, Phakinee; Chainok, Kittipong; Raksakoon, Chadchalerm; Rattanakram, Ramida; Duangthongyou, Tanwawan","Novel zinc(II) coordination polymers (CPs) based on flexible aliphatic carboxylic acids and an N-donor ligand for fluorescence sensors","Inorganica Chimica Acta","2020","511","","119839","","10.1016/j.ica.2020.119839","","","0.71073","MoKα","","0.1233","0.0748","","","0.1973","0.2443","","","","","","1.0369","","","","has coordinates","267595","2021-07-16","09:40:22",""
"1564189","38.026","0.003","8.3166","0.0007","21.2793","0.0019","90","","90","","90","","6729.5","1","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C128 H136 N16 O44 Zn8 -","- C128 H136 N16 O44 Zn8 -","- C256 H272 N32 O88 Zn16 -","2","0.125","","Buasakun, Jiraporn; Srilaoong, Phakinee; Chainok, Kittipong; Raksakoon, Chadchalerm; Rattanakram, Ramida; Duangthongyou, Tanwawan","Novel zinc(II) coordination polymers (CPs) based on flexible aliphatic carboxylic acids and an N-donor ligand for fluorescence sensors","Inorganica Chimica Acta","2020","511","","119839","","10.1016/j.ica.2020.119839","","","0.71073","MoKα","","0.0794","0.0565","","","0.1099","0.1178","","","","","","1.0327","","","","has coordinates,has disorder","267595","2021-07-16","09:40:22",""
"1564190","22.1723","0.0008","8.3066","0.0003","15.0836","0.0006","90","","111.857","0.002","90","","2578.35","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H0 N2 O4 Zn -","- C30 H30 N2 O4 Zn -","- C120 H120 N8 O16 Zn4 -","4","0.5","","Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar; Bibi, Memoona; Yousuf, Sammer; Ali, Saqib","Homo- and heteroleptic Zinc(II) carboxylates: Synthesis, structural characterization, and assessment of their biological significance in in vitro models","Inorganica Chimica Acta","2020","511","","119849","","10.1016/j.ica.2020.119849","","","1.54178","CuKα","","0.0673","0.0659","","","0.1779","0.1793","","","","","","1.014","","","","has coordinates","267596","2021-07-16","09:44:44",""
"1564191","10.493","0.002","10.877","0.002","27.057","0.005","90","","90.81","0.03","90","","3087.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H23 N2 O4 Zn -","- C34 H35 N2 O4 Zn -","- C136 H140 N8 O16 Zn4 -","4","1","","Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar; Bibi, Memoona; Yousuf, Sammer; Ali, Saqib","Homo- and heteroleptic Zinc(II) carboxylates: Synthesis, structural characterization, and assessment of their biological significance in in vitro models","Inorganica Chimica Acta","2020","511","","119849","","10.1016/j.ica.2020.119849","","","0.71073","MoKα","","0.0927","0.0662","","","0.1968","0.2199","","","","","","1.008","","","","has coordinates,has disorder","267597","2021-07-16","09:47:43",""
"1564192","11.1515","0.0003","11.9391","0.0003","12.0735","0.0003","71.769","0.001","87.253","0.001","67.431","0.001","1405.06","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O5 Zn -","- C32 H32 N2 O5 Zn -","- C64 H64 N4 O10 Zn2 -","2","1","","Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar; Bibi, Memoona; Yousuf, Sammer; Ali, Saqib","Homo- and heteroleptic Zinc(II) carboxylates: Synthesis, structural characterization, and assessment of their biological significance in in vitro models","Inorganica Chimica Acta","2020","511","","119849","","10.1016/j.ica.2020.119849","","","1.54178","CuKα","","0.0395","0.0374","","","0.0923","0.0938","","","","","","1.042","","","","has coordinates,has disorder","267598","2021-07-16","09:49:37",""
"1564193","15.293","0.0012","13.149","0.001","7.5014","0.0006","90","","95.145","0.003","90","","1502.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br Mn N2 O3 -","- C15 H12 Br Mn N2 O3 -","- C60 H48 Br4 Mn4 N8 O12 -","4","1","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.0609","0.0481","","","0.1159","0.1204","","","","","","1.099","","","","has coordinates","267599","2021-07-16","10:02:26",""
"1564194","12.186","0.003","11.931","0.003","15.609","0.003","90","","94.62","0.006","90","","2262","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H17 F3 Mn N3 O6 S -","- C21 H17 F3 Mn N3 O6 S -","- C84 H68 F12 Mn4 N12 O24 S4 -","4","2","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.2234","0.1364","","","0.3382","0.3836","","","","","","1.036","","","","has coordinates","267600","2021-07-16","10:03:37",""
"1564195","7.8133","0.0008","17.149","0.0015","17.9215","0.0018","73.446","0.004","89.536","0.004","79.143","0.004","2257.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Br Mn N2 O3 -","- C15 H12 Br Mn N2 O3 -","- C90 H72 Br6 Mn6 N12 O18 -","6","3","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.035","0.0259","","","0.0614","0.064","","","","","","1.004","","","","has coordinates","267601","2021-07-16","10:04:43",""
"1564196","8.725","0.005","11.379","0.006","11.891","0.007","105.02","0.02","93.53","0.03","97.11","0.02","1126","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H17 F3 Mn N3 O6 S -","- C21 H17 F3 Mn N3 O6 S -","- C42 H34 F6 Mn2 N6 O12 S2 -","2","1","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.0265","0.0248","","","0.0666","0.0671","","","","","","1.02","","","","has coordinates","267602","2021-07-16","10:05:59",""
"1564208","8.6531","0.0003","18.8376","0.0006","13.8048","0.0005","90","","96.046","0.003","90","","2237.72","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N8 Zn -","- C20 H24 Cl2 N8 Zn -","- C80 H96 Cl8 N32 Zn4 -","4","1","","Yunusova, Sevilya N.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kolesnikov, Ilya E.; Demakova, Marina Ya.; Bolotin, Dmitrii S.","Solid-state fluorescent 1,2,4-triazole zinc(II) complexes: Self-organization via bifurcated (N H)2⋯Cl contacts","Inorganica Chimica Acta","2020","510","","119660","","10.1016/j.ica.2020.119660","","x-ray","1.54184","CuKα","","0.0339","0.0303","","","0.0771","0.0794","","","","","","1.057","","","","has coordinates","267634","2021-07-19","08:26:42",""
"1564209","8.269","0.003","13.073","0.005","20.454","0.007","90","","86.983","0.009","90","","2208","1.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cd I2 N5 O -","- C19 H15 Cd I2 N5 O -","- C76 H60 Cd4 I8 N20 O4 -","4","1","","Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue","Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand","Inorganica Chimica Acta","2020","510","","119702","","10.1016/j.ica.2020.119702","","","0.71073","MoKα","","0.1667","0.0801","","","0.1349","0.152","","","","","","1.065","","","","has coordinates","267635","2021-07-19","08:43:13",""
"1564210","10.8953","0.0011","25.825","0.003","7.1174","0.0008","90","","105.654","0.003","90","","1928.4","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cd Cl2 N5 O -","- C19 H15 Cd Cl2 N5 O -","- C76 H60 Cd4 Cl8 N20 O4 -","4","1","","Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue","Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand","Inorganica Chimica Acta","2020","510","","119702","","10.1016/j.ica.2020.119702","","","0.71073","MoKα","","0.0558","0.0359","","","0.066","0.07","","","","","","1.053","","","","has coordinates","267636","2021-07-19","08:45:10",""
"1564211","8.162","0.005","16.225","0.01","12.259","0.007","90","","101.335","0.019","90","","1591.8","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","","Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue","Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand","Inorganica Chimica Acta","2020","510","","119702","","10.1016/j.ica.2020.119702","","","0.71073","MoKα","","0.1202","0.0604","","","0.1319","0.1481","","","","","","1.022","","","","has coordinates","267637","2021-07-19","08:46:18",""
"1564212","8.74","0.005","7.607","0.005","11.597","0.005","90","0.005","104.723","0.005","90","0.005","745.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ag Mo3 N3 O10 -","- C8 H8 Ag Mo3 N3 O10 -","- C16 H16 Ag2 Mo6 N6 O20 -","2","0.5","","Yu, Xiao-Yang; Li, Sheng-Ling; Zhang, Rui; Gao, Lu; Lu, Tong; Cao, Xue-Ling; Cui, Hao; Shi, Zhenyu; Zheng, Yuguo; Yang, Ying","A new 2D silver(I) inorganic-organic hybrid constructed from in situ decarboxylation reaction: Synthesis, structure and properties","Inorganica Chimica Acta","2020","510","","119717","","10.1016/j.ica.2020.119717","","","0.71069","MoKα","","0.019","0.0167","","","0.048","0.049","","","","","","1.124","","","","has coordinates,has disorder","267638","2021-07-19","08:52:00",""
"1564213","10.7393","0.0007","10.781","0.0006","11.0143","0.0007","96.411","0.005","95.434","0.005","96.552","0.005","1251.51","0.14","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","1","0.5","","Parsa, Fatemeh; Ghorbanloo, Massomeh; Morsali, Ali; Wang, Jun; Junk, Peter C.; Retailleau, Pascal","Azobenzene based 2D-MOF for high selective quinone fluorescence sensing performance","Inorganica Chimica Acta","2020","510","","119699","","10.1016/j.ica.2020.119699","","x-ray","0.71073","MoKα","","0.0366","0.0331","","","0.0828","0.0845","","","","","","1.086","","","","has coordinates","267639","2021-07-19","09:01:46",""
"1564214","23.8478","0.0016","9.7286","0.0008","15.1467","0.0011","90","","90","","90","","3514.1","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 Mo N2 O6 -","- C16 H16 Mo N2 O6 -","- C128 H128 Mo8 N16 O48 -","8","2","","Balapoor, Leila; Bikas, Rahman; Dargahi, Maryam","Catalytic oxidation of benzyl-alcohol with H2O2 in the presence of a dioxidomolybdenum(VI) complex","Inorganica Chimica Acta","2020","510","","119734","","10.1016/j.ica.2020.119734","","","1.54178","CuKα","","0.095","0.0821","","","0.2329","0.2519","","","","","","1.073","","","","has coordinates","267640","2021-07-19","09:16:40",""
"1564215","38.463","0.0003","38.463","0.0003","10.2363","0.0001","90","","90","","120","","13114.8","0.19","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C29 H38 N2 O3 Sn -","- C29 H38 N2 O3 Sn -","- C522 H684 N36 O54 Sn18 -","18","1","","Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid","Inorganica Chimica Acta","2020","510","","119736","","10.1016/j.ica.2020.119736","","x-ray","0.71073","MoKα","","0.0131","0.013","","","0.0342","0.0343","","","","","","1.072","","","","has coordinates,has disorder","267641","2021-07-19","10:00:52",""
"1564216","10.7854","0.0003","13.5964","0.0003","15.4929","0.0003","103.894","0.002","90.498","0.002","91.519","0.002","2204.41","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N3 O5 -","- C23 H31 N3 O5 -","- C92 H124 N12 O20 -","4","2","","Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid","Inorganica Chimica Acta","2020","510","","119736","","10.1016/j.ica.2020.119736","","x-ray","0.71073","MoKα","","0.0665","0.0585","","","0.1771","0.1854","","","","","","1.061","","","","has coordinates","267641","2021-07-19","10:00:53",""
"1564217","7.5426","0.0004","12.1092","0.0007","15.8208","0.0009","97.935","0.002","92.76","0.002","107.51","0.002","1358.67","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N2 O6 Sn2 -","- C24 H34 N2 O6 Sn2 -","- C48 H68 N4 O12 Sn4 -","2","1","","Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid","Inorganica Chimica Acta","2020","510","","119736","","10.1016/j.ica.2020.119736","","x-ray","0.71073","","","0.0242","0.0236","","","0.0785","0.0798","","","","","","1.154","","","","has coordinates","267641","2021-07-19","10:00:53",""
"1564282","12.203","0.0011","22.28","0.002","10.5341","0.001","90","","90","","90","","2864","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Co2 H38 N O32 P4 Ru2 -","- Co2 H38 N O32 P4 Ru2 -","- Co8 H152 N4 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0314","0.0275","","","0.076","0.0784","","","","","","1.063","","","","has coordinates","267852","2021-07-31","08:09:15",""
"1564283","12.2322","0.0011","22.237","0.0019","10.5585","0.0009","90","","90","","90","","2872","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 Mg2 N O32 P4 Ru2 -","- H38 Mg2 N O32 P4 Ru2 -","- H152 Mg8 N4 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.039","0.0324","","","0.085","0.089","","","","","","1.074","","","","has coordinates","267853","2021-07-31","08:10:58",""
"1564284","12.2254","0.0012","22.192","0.002","10.4785","0.0011","90","","90","","90","","2842.9","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 N Ni2 O32 P4 Ru2 -","- H38 N Ni2 O32 P4 Ru2 -","- H152 N4 Ni8 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0456","0.0427","","","0.1146","0.1168","","","","","","1.089","","","","has coordinates","267854","2021-07-31","08:12:05",""
"1564285","12.2245","0.0012","22.263","0.002","10.517","0.0009","90","","90","","90","","2862.2","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 N O32 P4 Ru2 Zn2 -","- H38 N O32 P4 Ru2 Zn2 -","- H152 N4 O128 P16 Ru8 Zn8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0338","0.0293","","","0.075","0.0772","","","","","","1.074","","","","has coordinates","267855","2021-07-31","08:13:32",""
"1564286","8.9408","0.0002","11.7861","0.0003","12.1424","0.0003","105.561","0.001","96.264","0.001","108.994","0.001","1138.1","0.05","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') lantanium(III)]","","- C24 H17 La N6 O7 -","- C24 H17 La N6 O7 -","- C48 H34 La2 N12 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.013","0.0128","","","0.0337","0.0344","","","","","","1.091","","","","has coordinates","267856","2021-07-31","08:27:09",""
"1564287","8.9084","0.0004","11.7747","0.0005","12.2291","0.0006","104.556","0.002","97.038","0.002","109.275","0.002","1141.96","0.09","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')praseodymium(III)]","","- C24 H17 N6 O7 Pr -","- C24 H17 N6 O7 Pr -","- C48 H34 N12 O14 Pr2 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0322","0.0308","","","0.0798","0.0807","","","","","","1.23","","","","has coordinates","267856","2021-07-31","08:27:17",""
"1564288","8.8931","0.0001","11.7509","0.0002","12.2255","0.0002","104.309","0.001","97.118","0.001","109.421","0.001","1137.44","0.03","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')neodynium(III)]","","- C24 H17 N6 Nd O7 -","- C24 H17 N6 Nd O7 -","- C48 H34 N12 Nd2 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0206","0.0184","","","0.0418","0.0432","","","","","","1.067","","","","has coordinates","267856","2021-07-31","08:27:21",""
"1564289","8.8926","0.0005","11.7486","0.0007","12.2297","0.0007","104.178","0.003","97.18","0.003","109.423","0.002","1138.12","0.12","296","","296","","","","","","","","see text","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') samarium(III)]","","- C24 H17 N6 O7 Sm -","- C24 H17 N6 O7 Sm -","- C48 H34 N12 O14 Sm2 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0172","0.0166","","","0.0457","0.0462","","","","","","1.074","","","","has coordinates","267856","2021-07-31","08:27:23",""
"1564290","8.8565","0.0004","11.7017","0.0005","12.2376","0.0005","103.57","0.003","97.571","0.003","109.6","0.003","1130.33","0.09","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')europium(III)]","","- C24 H17 Eu N6 O7 -","- C24 H17 Eu N6 O7 -","- C48 H34 Eu2 N12 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0389","0.0309","","","0.0657","0.07","","","","","","1.074","","","","has coordinates","267856","2021-07-31","08:27:23",""
"1564291","8.8513","0.0002","11.7031","0.0002","12.2157","0.0003","103.662","0.001","97.485","0.001","109.596","0.001","1127.64","0.04","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')gadolinium(III)]","","- C24 H17 Gd N6 O7 -","- C24 H17 Gd N6 O7 -","- C48 H34 Gd2 N12 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0127","0.0123","","","0.0311","0.0314","","","","","","1.077","","","","has coordinates","267856","2021-07-31","08:27:23",""
"1564292","21.401","0.0016","19.267","0.002","16.0855","0.0012","90","","91.054","0.003","90","","6631.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 Dy F18 O8 -","- C15 H7 Dy F18 O8 -","- C120 H56 Dy8 F144 O64 -","8","1","","Li, Xi-Li; Li, Junfeng; Wang, Ailing; Liu, Cai-Ming; Cui, Minghui; Zhang, Yi-Quan","Observation of field-induced single-ion magnet behavior in a mononuclear DyIII complex by co-crystallization of a square-planar CuII complex","Inorganica Chimica Acta","2020","510","","119718","","10.1016/j.ica.2020.119718","","","0.71073","MoKα","","0.0544","0.0465","","","0.0984","0.0999","","","","","","1.041","","","","has coordinates","267857","2021-07-31","08:32:26",""
"1564293","12.4905","0.0005","19.9973","0.0007","16.5143","0.0008","90","","111.796","0.005","90","","3830","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cu Dy F18 O12 -","- C25 H21 Cu Dy F18 O12 -","- C100 H84 Cu4 Dy4 F72 O48 -","4","1","","Li, Xi-Li; Li, Junfeng; Wang, Ailing; Liu, Cai-Ming; Cui, Minghui; Zhang, Yi-Quan","Observation of field-induced single-ion magnet behavior in a mononuclear DyIII complex by co-crystallization of a square-planar CuII complex","Inorganica Chimica Acta","2020","510","","119718","","10.1016/j.ica.2020.119718","","","0.71073","MoKα","","0.0569","0.0389","","","0.0987","0.1112","","","","","","1.029","","","","has coordinates,has disorder","267858","2021-07-31","08:33:51",""
"1564294","11.1782","0.0007","7.3754","0.0004","12.4363","0.0009","90","","95.582","0.002","90","","1020.43","0.11","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H21 Cl2 Co N7 O3 -","- C14 H21 Cl2 Co N7 O3 -","- C28 H42 Cl4 Co2 N14 O6 -","2","0.5","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0385","0.0331","","","0.0863","0.092","","","","","","1.117","","","","has coordinates","267859","2021-07-31","08:58:33",""
"1564295","8.0012","0.0004","8.1605","0.0004","20.4639","0.001","78.914","0.0019","81.91","0.0018","76.815","0.0019","1270.09","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H25 Cl2 Co N7 O13 -","- C14 H25 Cl2 Co N7 O13 -","- C28 H50 Cl4 Co2 N14 O26 -","2","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0847","0.0545","","","0.1408","0.1547","","","","","","1.018","","","","has coordinates,has disorder","267860","2021-07-31","08:59:59",""
"1564296","15.3466","0.0017","8.6064","0.0009","16.288","0.002","90","","111.816","0.003","90","","1997.2","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H17 Co N9 O7 -","- C14 H17 Co N9 O7 -","- C56 H68 Co4 N36 O28 -","4","2","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0684","0.0509","","","0.124","0.1342","","","","","","1.005","","","","has coordinates,has disorder","267861","2021-07-31","09:01:07",""
"1564297","8.913","0.007","10.554","0.009","13.726","0.011","71.562","0.016","89.487","0.014","82.684","0.014","1214.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 Co N9 O11 -","- C14 H25 Co N9 O11 -","- C28 H50 Co2 N18 O22 -","2","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0494","0.0385","","","0.0826","0.0886","","","","","","1.067","","","","has coordinates","267862","2021-07-31","09:02:34",""
"1564298","13.8282","0.0004","14.4239","0.0004","18.8399","0.0005","73.622","0.001","85.304","0.001","88.507","0.001","3593.14","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H81 Ag B10 Cl2 O P4 -","- C78 H81 Ag B10 Cl2 O P4 -","- C156 H162 Ag2 B20 Cl4 O2 P8 -","2","1","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.0525","0.0422","","","0.0937","0.0983","","","","","","1.032","","","","has coordinates","267863","2021-07-31","09:10:12",""
"1564299","14.329","0.002","14.682","0.002","19.386","0.003","73.89","0.01","84.19","0.01","89.93","0.01","3896.6","1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H77 Ag B10 O2 P4 -","- C76 H77 Ag B10 O2 P4 -","- C152 H154 Ag2 B20 O4 P8 -","2","1","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.1057","0.0708","","","0.18","0.2253","","","","","","1.041","","","","has coordinates","267864","2021-07-31","09:11:21",""
"1564300","11.006","0.002","12.652","0.002","16.226","0.003","102.726","0.011","95.137","0.012","113.616","0.011","1979","0.6","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H71 Ag2 B12 Cl P4 -","- C72 H71 Ag2 B12 Cl P4 -","- C72 H71 Ag2 B12 Cl P4 -","1","0.5","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.0645","0.0516","","","0.1385","0.1477","","","","","","1.035","","","","has coordinates,has disorder","267866","2021-07-31","09:12:33",""
"1564301","13.647","0.005","14.796","0.006","37.721","0.015","90","","97.235","0.015","90","","7556","5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 Ag2 B10 O2 P4 -","- C74 H72 Ag2 B10 O2 P4 -","- C296 H288 Ag8 B40 O8 P16 -","4","1","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.1156","0.0627","","","0.1586","0.1911","","","","","","0.964","","","","has coordinates,has disorder","267867","2021-07-31","09:14:04",""
"1564319","29.117","0.006","5.3771","0.0012","20.697","0.005","90","","128.911","0.005","90","","2521.4","1","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O1.03 S -","- C36 H24 N2 O1.028 S -","- C144 H96 N8 O4.112 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0741","0.0485","","","0.103","0.1136","","","","","","1.078","","","","has coordinates","267936","2021-08-04","11:09:45",""
"1564320","28.655","0.005","5.5039","0.0011","20.506","0.004","90","","128.655","0.005","90","","2525.6","0.9","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0802","0.0454","","","0.092","0.103","","","","","","1.052","","","","has coordinates","267936","2021-08-04","11:09:51",""
"1564400","6.9856","0.001","19.794","0.003","11.1255","0.0017","90","","96.924","0.002","90","","1527.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N2 O4 Pb -","- C18 H10 N2 O4 Pb -","- C72 H40 N8 O16 Pb4 -","4","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0339","0.0298","","","0.0765","0.0788","","","","","","1.035","","","","has coordinates","268229","2021-08-26","07:26:24",""
"1564401","12.3321","0.0016","14.3089","0.0018","17.111","0.003","105.864","0.003","104.012","0.003","107.527","0.002","2590.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H30 N6 O16 Pb3 -","- C54 H30 N6 O16 Pb3 -","- C108 H60 N12 O32 Pb6 -","2","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0535","0.0414","","","0.0989","0.1049","","","","","","1.004","","","","has coordinates","268230","2021-08-26","07:27:43",""
"1564402","9.2994","0.0013","10.7126","0.0014","12.8707","0.0017","104.153","0.002","106.688","0.002","90.399","0.002","1186.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 N2 O9 Pb2 -","- C26 H14 N2 O9 Pb2 -","- C52 H28 N4 O18 Pb4 -","2","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.042","0.0353","","","0.09","0.0932","","","","","","1.014","","","","has coordinates","268231","2021-08-26","07:28:57",""
"1564403","15.88","0.002","8.4995","0.0013","18.391","0.003","90","","91.417","0.002","90","","2481.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H28 N4 O20 Pb4 -","- C52 H28 N4 O20 Pb4 -","- C104 H56 N8 O40 Pb8 -","2","0.5","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0493","0.0328","","","0.0702","0.076","","","","","","1.031","","","","has coordinates","268232","2021-08-26","07:30:35",""
"1564404","16.4515","0.0014","23.893","0.002","13.0584","0.0011","90","","90","","90","","5132.9","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H28 N4 O20 Pb4 -","- C52 H28 N4 O20 Pb4 -","- C208 H112 N16 O80 Pb16 -","4","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0392","0.0345","","","0.0729","0.0748","","","","","","1.041","","","","has coordinates","268233","2021-08-26","07:31:42",""
"1564405","12.381","0.003","12.315","0.003","26.259","0.007","90","","91.951","0.006","90","","4001.4","1.7","125","2","125.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Co2 N4 O14 -","- C39 H34 Co2 N4 O14 -","- C156 H136 Co8 N16 O56 -","4","1","","Majumder, Avishek; Dutta, Nityananda; Haldar, Shobhraj; Das, Arpan; Carrella, Luca; Bera, Manindranath","Aromatic dicarboxylate incorporated new di- and tetranuclear cobalt(II) complexes: Synthetic and structural aspects, and evaluation of properties and catalytic activity","Inorganica Chimica Acta","2020","510","","119752","","10.1016/j.ica.2020.119752","","","0.71073","MoKα","","0.0702","0.0537","","","0.1483","0.1642","","","","","","1.083","","","","has coordinates","268234","2021-08-26","07:36:04",""
"1564406","14.1314","0.0006","17.5517","0.0008","18.0791","0.0007","73.494","0.004","85.949","0.003","74.975","0.004","4152.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H91 Co4 N8 O24 -","- C74.5 H91 Co4 N8 O24 -","- C149 H182 Co8 N16 O48 -","2","1","","Majumder, Avishek; Dutta, Nityananda; Haldar, Shobhraj; Das, Arpan; Carrella, Luca; Bera, Manindranath","Aromatic dicarboxylate incorporated new di- and tetranuclear cobalt(II) complexes: Synthetic and structural aspects, and evaluation of properties and catalytic activity","Inorganica Chimica Acta","2020","510","","119752","","10.1016/j.ica.2020.119752","","x-ray","0.71073","MoKα","","0.1014","0.0839","","","0.241","0.2601","","","","","","1.019","","","","has coordinates,has disorder","288266","2023-12-12","21:26:48",""
"1564407","13.739","0.003","14.248","0.003","23.065","0.004","90","","90","","90","","4515","1.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Ag5 I7 Mn N4 O2 S2 -","- C24 H16 Ag5 I7 Mn N4 O2 S2 -","- C96 H64 Ag20 I28 Mn4 N16 O8 S8 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.7107","MoKα","","0.0908","0.0654","","","0.1188","0.1283","","","","","","1.106","","","","has coordinates","268236","2021-08-26","07:47:52",""
"1564408","13.5654","0.0013","14.1363","0.0012","23.6271","0.0019","90","","90","","90","","4530.8","0.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Ag5 I7 Mn N6 O2 -","- C26 H29 Ag5 I7 Mn N6 O2 -","- C104 H116 Ag20 I28 Mn4 N24 O8 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71075","MoKα","","0.0435","0.038","","","0.068","0.0704","","","","","","1.015","","","","has coordinates","268237","2021-08-26","07:49:08",""
"1564409","13.664","0.003","14.164","0.003","23.592","0.005","90","","90","","90","","4565.9","1.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Ag5 I7 N6 O2 Zn -","- C26 H24 Ag5 I7 N6 O2 Zn -","- C104 H96 Ag20 I28 N24 O8 Zn4 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71073","MoKα","","0.0853","0.0667","","","0.1184","0.1245","","","","","","1.158","","","","has coordinates","268238","2021-08-26","07:51:03",""
"1564410","8.9407","0.0011","21.54","0.003","12.8687","0.0016","90","","94.398","0.003","90","","2471","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Ag2 Cd2 I6 N8 -","- C40 H32 Ag2 Cd2 I6 N8 -","- C80 H64 Ag4 Cd4 I12 N16 -","2","0.5","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.7107","MoKα","","0.0533","0.0419","","","0.075","0.0787","","","","","","1.224","","","","has coordinates","268239","2021-08-26","07:52:15",""
"1564411","8.3291","0.0007","39.064","0.003","16.2174","0.0015","90","","102.901","0.002","90","","5143.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 Ag5 I7 N7 O6 Zn -","- C27 H37 Ag5 I7 N7 O6 Zn -","- C108 H148 Ag20 I28 N28 O24 Zn4 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71073","MoKα","","0.0823","0.0698","","","0.1599","0.1664","","","","","","1.2","","","","has coordinates","268240","2021-08-26","07:53:43",""
"1564412","16.42","0.002","7.8952","0.001","27.07","0.004","90","","99.668","0.004","90","","3459.5","0.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Ag10 I12 N4 O8 S4 Zn -","- C28 H32 Ag10 I12 N4 O8 S4 Zn -","- C56 H64 Ag20 I24 N8 O16 S8 Zn2 -","2","0.5","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71073","MoKα","","0.1429","0.0824","","","0.2187","0.3124","","","","","","1.093","","","","has coordinates","268241","2021-08-26","07:54:59",""
"1564413","14.5264","0.0003","12.8131","0.0002","14.7375","0.0004","90","","108.399","0.002","90","","2602.84","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","- C112 H112 Cu4 N8 O32 -","4","1","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.034","0.0273","","","0.0705","0.0728","","","","","","1.059","","","","has coordinates","268242","2021-08-26","08:07:42",""
"1564414","7.481","0.0003","7.4852","0.0004","11.6057","0.0005","76.796","0.004","73.661","0.004","84.919","0.004","606.94","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.0379","0.0313","","","0.0816","0.0859","","","","","","1.036","","","","has coordinates","268243","2021-08-26","08:09:25",""
"1564415","7.6091","0.0003","7.6248","0.0003","11.5732","0.0004","80.6","0.003","77.646","0.003","89.331","0.003","646.91","0.04","150","","150","","","","","","","",".","5","P -1","-P 1","2","","","","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","0.71073","MoKα","","0.0316","0.029","","0.0734","0.0701","0.0734","","","","","","1.0128","","","","has coordinates","268244","2021-08-26","08:11:17",""
"1564416","7.5681","0.0005","9.195","0.0006","9.8055","0.0006","86.543","0.005","87.753","0.005","65.686","0.005","620.62","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.0265","0.0258","","","0.0666","0.0669","","","","","","1.093","","","","has coordinates","268245","2021-08-26","08:12:24",""
"1564417","7.0351","0.0004","7.5386","0.0004","12.1405","0.0007","80.91","0.005","75.42","0.004","82.98","0.004","613.01","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.0547","0.0514","","","0.1363","0.1376","","","","","","1.187","","","","has coordinates","268246","2021-08-26","08:13:59",""
"1564418","7.4551","0.0002","12.5518","0.0004","22.1236","0.0006","90","","93.656","0.002","90","","2066","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Eu N12 O11 -","- C12 H13 Eu N12 O11 -","- C48 H52 Eu4 N48 O44 -","4","1","","Kordeyro Magrino, D.A.; Korshunov, V.M.; Lyssenko, K.A.; Gontcharenko, V.E.; Belousov, Yu.A.; Pettinari, C.; Taydakov, I.V.","Luminescent complexes of Eu3+,Tb3+ and Gd3+ nitrates with polytopic ligand 2,4,6-tris(1H-pyrazol-1-yl)-1,3,5-triazine","Inorganica Chimica Acta","2020","510","","119764","","10.1016/j.ica.2020.119764","","","0.71073","MoKα","","0.0255","0.0242","","","0.0604","0.0611","","","","","","1.066","","","","has coordinates","268247","2021-08-26","08:29:27",""
"1564419","7.4626","0.0004","12.5841","0.0007","22.1623","0.0012","90","","93.632","0.003","90","","2077.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Gd N12 O11 -","- C12 H13 Gd N12 O11 -","- C48 H52 Gd4 N48 O44 -","4","1","","Kordeyro Magrino, D.A.; Korshunov, V.M.; Lyssenko, K.A.; Gontcharenko, V.E.; Belousov, Yu.A.; Pettinari, C.; Taydakov, I.V.","Luminescent complexes of Eu3+,Tb3+ and Gd3+ nitrates with polytopic ligand 2,4,6-tris(1H-pyrazol-1-yl)-1,3,5-triazine","Inorganica Chimica Acta","2020","510","","119764","","10.1016/j.ica.2020.119764","","","0.71073","MoKα","","0.0276","0.0215","","","0.0459","0.048","","","","","","1.019","","","","has coordinates","268247","2021-08-26","08:29:31",""
"1564420","10.5369","0.0013","10.6632","0.0009","17.2574","0.0012","99.031","0.003","97.542","0.002","103.387","0.002","1834.4","0.3","153","2","152.99","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 N O7 S3 Zn -","- C36 H35 N O7 S3 Zn -","- C72 H70 N2 O14 S6 Zn2 -","2","1","","Song, Kun; Liu, Ning","A Zn(II)-based coordination polymer: Fluorescence sensing property and treatment effect on Osteosarcoma by inducing autophagic programed cancer cell death","Inorganica Chimica Acta","2020","510","","119784","","10.1016/j.ica.2020.119784","","","0.71073","MoKα","","0.0776","0.0543","","","0.1381","0.1525","","","","","","1.039","","","","has coordinates","268248","2021-08-26","08:32:21",""
"1564421","10.1275","0.0003","10.1811","0.0003","12.2567","0.0003","75.949","0.001","86.271","0.001","67.905","0.001","1135.45","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H16 Cl8 Cu2 N8 O8 S4 -","- C36 H16 Cl8 Cu2 N8 O8 S4 -","- C36 H16 Cl8 Cu2 N8 O8 S4 -","1","0.5","","Eremina, Julia A.; Lider, Elizaveta V.; Sukhikh, Taisiya S.; Klyushova, Lyubov S.; Perepechaeva, Maria L.; Sheven', Dmitriy G.; Berezin, Alexey S.; Grishanova, Alevtina Y.; Potkin, Vladimir I.","Water-soluble copper(II) complexes with 4,5-dichloro-isothiazole-3-carboxylic acid and heterocyclic N-donor ligands: Synthesis, crystal structures, cytotoxicity, and DNA binding study","Inorganica Chimica Acta","2020","510","","119778","","10.1016/j.ica.2020.119778","","","0.71073","MoKα","","0.0334","0.0285","","","0.068","0.0705","","","","","","1.034","","","","has coordinates","268249","2021-08-26","08:36:34",""
"1564422","8.6656","0.0003","11.72","0.0004","12.9228","0.0003","103.283","0.001","102.84","0.001","104.336","0.002","1182.1","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H12 Cl4 Cu N4 O4 S2 -","- C20 H12 Cl4 Cu N4 O4 S2 -","- C40 H24 Cl8 Cu2 N8 O8 S4 -","2","1","","Eremina, Julia A.; Lider, Elizaveta V.; Sukhikh, Taisiya S.; Klyushova, Lyubov S.; Perepechaeva, Maria L.; Sheven', Dmitriy G.; Berezin, Alexey S.; Grishanova, Alevtina Y.; Potkin, Vladimir I.","Water-soluble copper(II) complexes with 4,5-dichloro-isothiazole-3-carboxylic acid and heterocyclic N-donor ligands: Synthesis, crystal structures, cytotoxicity, and DNA binding study","Inorganica Chimica Acta","2020","510","","119778","","10.1016/j.ica.2020.119778","","","0.71073","MoKα","","0.0467","0.0357","","","0.0693","0.0738","","","","","","1.023","","","","has coordinates","268250","2021-08-26","08:38:11",""
"1564423","8.0973","0.0004","9.3869","0.0005","16.2056","0.0007","74.098","0.002","87.919","0.002","76.745","0.002","1152.6","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 Cl4 Cu N4 O5 S2 -","- C20 H10 Cl4 Cu N4 O5 S2 -","- C40 H20 Cl8 Cu2 N8 O10 S4 -","2","1","","Eremina, Julia A.; Lider, Elizaveta V.; Sukhikh, Taisiya S.; Klyushova, Lyubov S.; Perepechaeva, Maria L.; Sheven', Dmitriy G.; Berezin, Alexey S.; Grishanova, Alevtina Y.; Potkin, Vladimir I.","Water-soluble copper(II) complexes with 4,5-dichloro-isothiazole-3-carboxylic acid and heterocyclic N-donor ligands: Synthesis, crystal structures, cytotoxicity, and DNA binding study","Inorganica Chimica Acta","2020","510","","119778","","10.1016/j.ica.2020.119778","","","0.71073","MoKα","","0.0269","0.0239","","","0.0594","0.0613","","","","","","1.031","","","","has coordinates","268251","2021-08-26","08:42:51",""
"1564424","6.1722","0.0007","12.6903","0.0011","10.3679","0.0011","90","","90.645","0.004","90","","812.04","0.14","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C15 H15 Co N3 O5 -","- C15 H15 Co N3 O5 -","- C30 H30 Co2 N6 O10 -","2","1","","Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia","pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption","Inorganica Chimica Acta","2020","510","","119728","","10.1016/j.ica.2020.119728","","","0.71073","MoKα","","0.0781","0.0738","","","0.1852","0.1884","","","","","","1.055","","","","has coordinates","268252","2021-08-26","08:52:36",""
"1564425","9.8029","0.0004","12.7788","0.0005","10.837","0.0005","90","","100.881","0.002","90","","1333.14","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 Co2 N4 O8 -","- C24 H16 Co2 N4 O8 -","- C48 H32 Co4 N8 O16 -","2","1","","Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia","pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption","Inorganica Chimica Acta","2020","510","","119728","","10.1016/j.ica.2020.119728","","","0.71073","MoKα","","0.0824","0.0443","","","0.0875","0.1047","","","","","","1.028","","","","has coordinates","268252","2021-08-26","08:52:37",""
"1564426","10.468","0.003","14.359","0.004","20.227","0.005","90","","90","","90","","3040.3","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cu N6 O8 -","- C12 H8 Cu N6 O8 -","- C96 H64 Cu8 N48 O64 -","8","1","","Bikas, Rahman; Valadbeigi, Younes; Otręba, Marta; Lis, Tadeusz","Mechanistic studies on the in-situ generation of furoxan ring during the formation of Cu(II) coordination compound from dioxime ligand: Theoretical and experimental study","Inorganica Chimica Acta","2020","510","","119756","","10.1016/j.ica.2020.119756","","","0.71073","MoKα","","0.0449","0.0378","","","0.1097","0.1127","","","","","","1.099","","","","has coordinates,has disorder","268253","2021-08-26","09:03:23",""
"1564429","7.8247","0.0016","10.101","0.002","14.815","0.003","99.91","0.03","90.86","0.03","95.17","0.03","1148.2","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Ca N12 O6 -","- C16 H18 Ca N12 O6 -","- C32 H36 Ca2 N24 O12 -","2","1","","Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng","Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands","Inorganica Chimica Acta","2020","509","","119659","","10.1016/j.ica.2020.119659","","","0.71073","MoKα","","0.2195","0.1107","","","0.2061","0.2464","","","","","","1.028","","","","has coordinates","268284","2021-08-30","07:58:11",""
"1564430","7.7997","0.0016","10.537","0.002","27.732","0.005","90","","90","","90","","2279.2","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 Ca N10 O6 -","- C18 H20 Ca N10 O6 -","- C72 H80 Ca4 N40 O24 -","4","1","","Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng","Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands","Inorganica Chimica Acta","2020","509","","119659","","10.1016/j.ica.2020.119659","","","0.71073","MoKα","","0.0957","0.084","","","0.2461","0.2526","","","","","","1.84","","","","has coordinates","268284","2021-08-30","07:58:12",""
"1564431","10.988","0.002","11.08","0.002","17.179","0.003","74.33","0.03","77.61","0.03","79.45","0.03","1949.4","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Ca N15 O9 -","- C31 H30 Ca N15 O9 -","- C62 H60 Ca2 N30 O18 -","2","1","","Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng","Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands","Inorganica Chimica Acta","2020","509","","119659","","10.1016/j.ica.2020.119659","","","0.71073","MoKα","","0.1849","0.1445","","","0.3465","0.3892","","","","","","1.206","","","","has coordinates","268284","2021-08-30","07:58:12",""
"1564432","11.0875","0.0005","13.519","0.0006","9.4155","0.0004","90","","93.253","0.002","90","","1409.03","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O4 Zn -","- C12 H14 N4 O4 Zn -","- C48 H56 N16 O16 Zn4 -","4","0.5","","Fan, Chuanbin; Zhang, Xia; Xu, Cungang; Wu, Ruixue; Li, Nana; Wang, Lulu; Zhang, Dongmei; Bi, Shuangyu; Fan, Yuhua","Two novel Zn-CPs act as dual-functional luminescent sensors for highly selective, sensitive and stable detection of Fe3+ ions and tetracycline","Inorganica Chimica Acta","2020","509","","119665","","10.1016/j.ica.2020.119665","","","0.71073","MoKα","","0.0454","0.0353","","","0.0801","0.086","","","","","","1.033","","","","has coordinates","268285","2021-08-30","08:15:28",""
"1564433","9.3028","0.0008","10.2786","0.0009","22.048","0.002","79.366","0.002","89.895","0.002","75.983","0.002","2008.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O15 Zn3 -","- C40 H30 N4 O15 Zn3 -","- C80 H60 N8 O30 Zn6 -","2","1","","Fan, Chuanbin; Zhang, Xia; Xu, Cungang; Wu, Ruixue; Li, Nana; Wang, Lulu; Zhang, Dongmei; Bi, Shuangyu; Fan, Yuhua","Two novel Zn-CPs act as dual-functional luminescent sensors for highly selective, sensitive and stable detection of Fe3+ ions and tetracycline","Inorganica Chimica Acta","2020","509","","119665","","10.1016/j.ica.2020.119665","","x-ray","0.71073","MoKα","","0.0566","0.0439","","","0.1282","0.1426","","","","","","1.083","","","","has coordinates","268285","2021-08-30","08:15:35",""
"1564434","8.8557","0.0003","11.8069","0.0005","16.8833","0.0008","90","","100.34","0.004","90","","1736.62","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 N3 Zn -","- C18 H13 Cl2 N3 Zn -","- C72 H52 Cl8 N12 Zn4 -","4","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","0.71073","MoKα","","0.1211","0.0676","","","0.1486","0.18","","","","","","1.08","","","","has coordinates","268286","2021-08-30","08:29:02",""
"1564435","11.6572","0.0005","18.2684","0.0009","20.1661","0.001","90","","98.635","0.004","90","","4245.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 Cl6 F6 N6 Zn2 -","- C39 H26 Cl6 F6 N6 Zn2 -","- C156 H104 Cl24 F24 N24 Zn8 -","4","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","0.71073","MoKα","","0.1272","0.051","","","0.0728","0.095","","","","","","0.981","","","","has coordinates,has disorder","268286","2021-08-30","08:29:03",""
"1564436","10.852","0.0007","10.9062","0.0008","11.194","0.0006","116.668","0.006","94.023","0.005","106.033","0.006","1108.43","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 F3 N4 Zn -","- C21 H15 Cl2 F3 N4 Zn -","- C42 H30 Cl4 F6 N8 Zn2 -","2","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","1.5418","CuKα","","0.0759","0.0524","","","0.1428","0.1949","","","","","","1.114","","","","has coordinates,has disorder","268286","2021-08-30","08:29:03",""
"1564437","8.5516","0.0012","9.3088","0.0013","13.5809","0.0018","93.575","0.011","95.753","0.011","104.808","0.012","1035.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Cl2 N3 Zn -","- C22 H21 Cl2 N3 Zn -","- C44 H42 Cl4 N6 Zn2 -","2","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","0.71073","MoKα","","0.2636","0.0827","","","0.112","0.1758","","","","","","0.908","","","","has coordinates","268286","2021-08-30","08:29:03",""
"1564438","10.923","0.002","11.512","0.002","20.311","0.004","74.918","0.003","84.284","0.003","67.8","0.003","2283.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H28 Ag2 F12 N2 O4 S2 -","- C45 H28 Ag2 F12 N2 O4 S2 -","- C90 H56 Ag4 F24 N4 O8 S4 -","2","1","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.1019","0.0667","","","0.1961","0.2345","","","","","","1.039","","","","has coordinates","268287","2021-08-30","08:37:22",""
"1564439","13.923","0.009","12.083","0.008","21.164","0.013","90","","103.077","0.013","90","","3468","4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Ag B F10 N2 O S2 -","- C33 H24 Ag B F10 N2 O S2 -","- C132 H96 Ag4 B4 F40 N8 O4 S8 -","4","1","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.2771","0.0905","","","0.1936","0.2948","","","","","","0.901","","","","has coordinates","268287","2021-08-30","08:37:23",""
"1564440","38.457","0.018","9.26","0.004","11.343","0.005","90","","102.569","0.009","90","","3943","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Ag2 F12 N2 O8 S4 -","- C31 H20 Ag2 F12 N2 O8 S4 -","- C124 H80 Ag8 F48 N8 O32 S16 -","4","0.5","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.1368","0.0996","","","0.2444","0.2652","","","","","","1.048","","","","has coordinates,has disorder","268287","2021-08-30","08:37:23",""
"1564441","20.26","0.02","13.972","0.015","10.816","0.013","90","","90.43","0.02","90","","3062","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 F6 N2 O S2 -","- C33 H24 F6 N2 O S2 -","- C132 H96 F24 N8 O4 S8 -","4","0.5","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.2109","0.1056","","","0.2381","0.2962","","","","","","1.036","","","","has coordinates,has disorder","268287","2021-08-30","08:37:23",""
"1564442","13.1547","0.0002","10.0402","0.0002","25.7343","0.0004","90","","103.789","0.001","90","","3300.92","0.1","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Co N4 Na O8 S3 -","- C29 H41 Co N4 Na O8 S3 -","- C116 H164 Co4 N16 Na4 O32 S12 -","4","1","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0431","0.0371","","","0.0922","0.0966","","","","","","1.056","","","","has coordinates,has disorder","268288","2021-08-30","10:55:27",""
"1564443","14.7871","0.0002","26.5758","0.0004","16.0876","0.0003","90","","109.367","0.001","90","","5964.35","0.17","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C105.4 H179.6 Co2 N8 Na2 O17.4 S6 -","- C105.4 H179.6 Co2 N8 Na2 O17.4 S6 -","- C210.8 H359.2 Co4 N16 Na4 O34.8 S12 -","2","1","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0569","0.0478","","","0.0957","0.1014","","","","","","1.083","","","","has coordinates,has disorder","268289","2021-08-30","10:56:57",""
"1564444","14.646","0.0003","15.3244","0.0002","15.514","0.0003","66.322","0.001","71.005","0.001","69.533","0.001","2917.24","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H172 Co2 N10 Na2 O14 S6 -","- C106 H172 Co2 N10 Na2 O14 S6 -","- C106 H172 Co2 N10 Na2 O14 S6 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0573","0.0431","","","0.0883","0.0956","","","","","","1.058","","","","has coordinates","268290","2021-08-30","10:58:33",""
"1564445","14.6938","0.0003","27.8487","0.0007","16.7818","0.0004","90","","112.488","0.001","90","","6345","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114 H184 Co2 K2 N14 O14 S6 -","- C114 H184 Co2 K2 N14 O14 S6 -","- C228 H368 Co4 K4 N28 O28 S12 -","2","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0842","0.0631","","","0.1308","0.1414","","","","","","1.109","","","","has coordinates","268291","2021-08-30","10:59:37",""
"1564446","15.0996","0.0002","26.2661","0.0004","17.0823","0.0003","90","","112.114","0.001","90","","6276.58","0.17","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H182 Co2 Cs2 N8 O20 S6 -","- C104 H182 Co2 Cs2 N8 O20 S6 -","- C208 H364 Co4 Cs4 N16 O40 S12 -","2","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0915","0.0683","","","0.1242","0.1358","","","","","","1.153","","","","has coordinates,has disorder","268292","2021-08-30","11:01:12",""
"1564447","7.2516","0.0004","10.5428","0.0009","18.818","0.0016","77.275","0.007","83.739","0.006","85.56","0.006","1392.85","0.19","289","2","289.2","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl6 Mn N4 O6 -","- C24 H14 Cl6 Mn N4 O6 -","- C48 H28 Cl12 Mn2 N8 O12 -","2","1","","Li, Jun-Xia; Du, Zhong-Xiang; Pan, Qiu-Yue; Zhang, Lu-Lu; Liu, Duo-Li","The first 3, 5, 6-trichloropyridine-2-oxyacetate bridged manganese coordination polymer with features of π⋯π stacking and halogen⋯halogen interactions: Synthesis, crystal analysis and magnetic properties","Inorganica Chimica Acta","2020","509","","119677","","10.1016/j.ica.2020.119677","","x-ray","0.71073","MoKα","","0.0944","0.0678","","","0.1737","0.1855","","","","","","1.075","","","","has coordinates","268293","2021-08-30","11:05:37",""
"1564448","10.446","0.002","10.877","0.002","12.503","0.003","104.644","0.004","107.329","0.004","97.583","0.004","1278.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Dy N3 O12 -","- C21 H24 Dy N3 O12 -","- C42 H48 Dy2 N6 O24 -","2","1","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Goñi-Cárdenas, Ainhoa; Fernández, Belén; García, Jose A.; Quílez del Moral, José F.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Dilution effect on the slow relaxation of a luminescent dysprosium Metal-Organic Framework based on 2,5-dihydroxyterephthalic acid","Inorganica Chimica Acta","2020","509","","119687","","10.1016/j.ica.2020.119687","","","0.71069","MoKα","","0.0317","0.0246","","","0.0606","0.0624","","","","","","1.086","","","","has coordinates","268294","2021-08-30","11:08:39",""
"1564449","15.159","0.004","8.142","0.002","18.374","0.005","90","","90","","90","","2267.8","1","223","","223","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H24 Cl2 Mn N6 -","- C22 H24 Cl2 Mn N6 -","- C88 H96 Cl8 Mn4 N24 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.101","0.0554","","","0.1153","0.1415","","","","","","1.041","","","","has coordinates","268295","2021-08-30","11:14:50",""
"1564450","18.612","0.005","14.332","0.004","19.499","0.005","90","","90.04","0.003","90","","5201","2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 Cl2 Mn2 N14 O10 -","- C48 H56 Cl2 Mn2 N14 O10 -","- C192 H224 Cl8 Mn8 N56 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.0699","0.0549","","","0.1277","0.1408","","","","","","1.126","","","","has coordinates","268296","2021-08-30","11:16:15",""
"1564451","18.697","0.004","14.237","0.003","18.636","0.004","90","","92.26","0.003","90","","4956.8","1.8","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 Cl2 Mn2 N14 O10 -","- C48 H54 Cl2 Mn2 N14 O10 -","- C192 H216 Cl8 Mn8 N56 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.0406","0.0357","","","0.0881","0.0918","","","","","","1.044","","","","has coordinates","268297","2021-08-30","11:17:27",""
"1564452","16.9363","0.0017","14.7356","0.0015","24.274","0.003","90","","90","","90","","6058","1.1","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Cl2 Mn2 N18 O10 -","- C62 H54 Cl2 Mn2 N18 O10 -","- C248 H216 Cl8 Mn8 N72 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.71075","MoKα","","0.0496","0.046","","","0.1226","0.1265","","","","","","1.06","","","","has coordinates","268298","2021-08-30","11:19:11",""
"1564453","14.6775","0.0006","26.3783","0.0009","18.137","0.0008","90","","90.448","0.002","90","","7021.8","0.5","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H76 Cl4 Mn3 N12 O6 -","- C72 H76 Cl4 Mn3 N12 O6 -","- C288 H304 Cl16 Mn12 N48 O24 -","4","1","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.71075","MoKα","","0.0728","0.0644","","","0.1596","0.1645","","","","","","1.159","","","","has coordinates","268299","2021-08-30","11:20:13",""
"1564454","4.7613","0.0019","9.549","0.004","21.938","0.009","90","","95.825","0.004","90","","992.3","0.7","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N6 -","- C22 H24 N6 -","- C44 H48 N12 -","2","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.0698","0.0543","","","0.1252","0.1367","","","","","","1.152","","","","has coordinates","268300","2021-08-30","11:21:08",""
"1564457","10.419","0.002","27.922","0.007","8.106","0.0019","90","","111.222","0.004","90","","2198.3","0.9","175","","175","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- B4 Cu H24 N4 O13 -","- B4 Cu H24 N4 O13 -","- B24 Cu6 H144 N24 O78 -","6","1.5","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.0421","0.0338","","","0.0729","0.0764","","","","","","1.025","","","","has coordinates,has disorder","268304","2021-08-31","06:42:49",""
"1564458","10.3336","0.0013","11.0661","0.0014","16.462","0.002","102.982","0.002","95.93","0.002","110.838","0.002","1679.3","0.4","175","2","175","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 B5 Cu N5 O13 -","- C28 H28 B5 Cu N5 O13 -","- C56 H56 B10 Cu2 N10 O26 -","2","1","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.1074","0.0658","","","0.1681","0.1903","","","","","","1.038","","","","has coordinates,has disorder","268305","2021-08-31","06:43:56",""
"1564459","22.8907","0.0012","12.7373","0.0007","29.9242","0.0015","90","","101.72","0.001","90","","8543","0.8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H42 B5 Cl N7 Ni O15 -","- C35 H42 B5 Cl N7 Ni O15 -","- C280 H336 B40 Cl8 N56 Ni8 O120 -","8","1","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.0698","0.0458","","","0.105","0.1174","","","","","","1.029","","","","has coordinates,has disorder","268306","2021-08-31","06:45:30",""
"1564460","10.723","0.002","14.463","0.002","14.764","0.003","65.412","0.009","85.717","0.011","70.606","0.01","1958.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 B5 N2 O13 P -","- C30 H40 B5 N2 O13 P -","- C60 H80 B10 N4 O26 P2 -","2","1","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.13","0.0851","","","0.2342","0.2779","","","","","","1.039","","","","has coordinates,has disorder","268307","2021-08-31","06:46:35",""
"1564461","9.068","0.0002","15.9682","0.0003","15.5111","0.0003","90","","105.816","0.001","90","","2160.97","0.08","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B2 Cd2 N8 O14 S2 -","- C40 H38 B2 Cd2 N8 O14 S2 -","- C80 H76 B4 Cd4 N16 O28 S4 -","2","0.5","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.0264","0.0201","","","0.0478","0.0506","","","","","","1.026","","","","has coordinates","268308","2021-08-31","06:47:47",""
"1564462","10.0315","0.0008","10.537","0.002","10.919","0.004","117.164","0.007","91.324","0.008","104.706","0.008","980.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","1","0.5","","Öztürkkan Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Elmalı, Ayhan; Şahin, Ertan","The superiority of the classical synthesis compared to the hydrothermal synthesis upon the structural, optical absorption and fluorescent properties of new Cd(II) 3-fluorobenzoate complexes with Pyridine-3-carboxamide/Pyridine-3-carboxylate","Inorganica Chimica Acta","2020","509","","119694","","10.1016/j.ica.2020.119694","","","0.71073","MoKα","","0.0413","0.0378","","","0.0912","0.0945","","","","","","1.212","","","","has coordinates","268309","2021-08-31","06:55:38",""
"1564463","7.617","0.002","12.324","0.003","12.354","0.004","62.91","0.03","82.87","0.04","79.41","0.03","1013.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","1","0.5","","Öztürkkan Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Elmalı, Ayhan; Şahin, Ertan","The superiority of the classical synthesis compared to the hydrothermal synthesis upon the structural, optical absorption and fluorescent properties of new Cd(II) 3-fluorobenzoate complexes with Pyridine-3-carboxamide/Pyridine-3-carboxylate","Inorganica Chimica Acta","2020","509","","119694","","10.1016/j.ica.2020.119694","","","0.71073","MoKα","","0.1097","0.0595","","","0.1474","0.1772","","","","","","1.063","","","","has coordinates","268309","2021-08-31","06:55:39",""
"1564464","7.8591","0.0013","8.2007","0.0012","11.475","0.002","81.994","0.006","72.138","0.005","75.628","0.004","680.29","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cd F N O5 -","- C13 H10 Cd F N O5 -","- C26 H20 Cd2 F2 N2 O10 -","2","1","","Öztürkkan Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Elmalı, Ayhan; Şahin, Ertan","The superiority of the classical synthesis compared to the hydrothermal synthesis upon the structural, optical absorption and fluorescent properties of new Cd(II) 3-fluorobenzoate complexes with Pyridine-3-carboxamide/Pyridine-3-carboxylate","Inorganica Chimica Acta","2020","509","","119694","","10.1016/j.ica.2020.119694","","","0.71073","MoKα","","0.0327","0.0292","","","0.0731","0.0758","","","","","","1.205","","","","has coordinates","268309","2021-08-31","06:55:39",""
"1564465","12.5391","0.0004","13.7594","0.0004","11.078","0.0003","90","","105.774","0.003","90","","1839.32","0.1","120.03","0.1","120.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu2 N4 O3 -","- C20 H18 Cu2 N4 O3 -","- C80 H72 Cu8 N16 O12 -","4","1","","Zarei, Leila; Asadi, Zahra; Samolova, Erika; Dusek, Michal; Amirghofran, Zahra","Pyrazolate as bridging ligand in stabilization of self-assemble Cu(II) Schiff base complexes: Synthesis, structural investigations, DNA/protein (BSA) binding and growth inhibitory effects on the MCF7, CT-26, MDA-MB-231 cell lines","Inorganica Chimica Acta","2020","509","","119674","","10.1016/j.ica.2020.119674","","x-ray","0.71073","MoKα","","0.0337","0.0248","","","0.0586","0.061","","","","1.6","1.6","1.52","","","","has coordinates","268310","2021-08-31","07:07:48",""
"1564466","12.2204","0.0008","16.7035","0.0011","23.3466","0.0016","78.448","0.002","80.551","0.002","78.448","0.002","4536.1","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- Co3 H61 Na14 O99.5 P2 W18 -","- Co3 Na14 O99.492 P2 W18 -","- Co6 Na28 O198.984 P4 W36 -","2","1","","Rehan, Kanwar; Asma, Maliha; McMillen, Colin D.; Sokolov, Andrei; Sohail, Manzar; Sher, Muhammad; Shafique, Munib Ahmed; Bukhari, Naheed; Tirmizi, Syed Ahmad","Synthesis, structure, and properties of the multinuclear cobalt core POM Na14[Co3O(H2O)(A-α-PW9O34)2]·~29.5H2O","Inorganica Chimica Acta","2020","509","","119690","","10.1016/j.ica.2020.119690","","","0.71073","MoKα","","0.0355","0.0282","","","0.0668","0.0701","","","","","","1.051","","","","has coordinates,has disorder","268311","2021-08-31","07:30:21",""
"1564467","4.0753","0.0015","13.119","0.003","13.178","0.003","69.737","0.014","81.1","","81.06","","649","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cu N6 O10 -","- C24 H28 Cu N6 O10 -","- C24 H28 Cu N6 O10 -","1","0.5","","Yu, Meng; Zhang, Yu; Pan, Ying-Qi; Wang, Li","Two novel copper(II) salamo-based complexes: Syntheses, X-ray crystal structures, spectroscopic properties and Hirshfeld surfaces analyses","Inorganica Chimica Acta","2020","509","","119701","","10.1016/j.ica.2020.119701","","","0.71073","MoKα","","0.1047","0.0754","","","0.162","0.1886","","","","","","1.007","","","","has coordinates","268312","2021-08-31","07:34:50",""
"1564468","13.5463","0.0011","24.841","0.002","11.6264","0.0009","90","","107.709","0.002","90","","3726.9","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu N4 O9 -","- C17 H16 Cu N4 O9 -","- C136 H128 Cu8 N32 O72 -","8","2","","Yu, Meng; Zhang, Yu; Pan, Ying-Qi; Wang, Li","Two novel copper(II) salamo-based complexes: Syntheses, X-ray crystal structures, spectroscopic properties and Hirshfeld surfaces analyses","Inorganica Chimica Acta","2020","509","","119701","","10.1016/j.ica.2020.119701","","","0.71073","MoKα","","0.1063","0.0682","","","0.1242","0.1401","","","","","","1.119","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564469","17.6596","0.0006","15.2619","0.0005","22.6001","0.0011","90","","90","","90","","6091.2","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Cl2 F2 Ir N4 O2 -","- C32 H25 Cl2 F2 Ir N4 O2 -","- C256 H200 Cl16 F16 Ir8 N32 O16 -","8","1","","Liu, Zhuo; Yang, Rui-Lian; Yang, Xiao-Han; Cao, Jing-Lan; Fan, Xu-Ru; Wu, Shui-Xing; Niu, Zhi-Gang; Li, Gao-Nan","New yellow-emitting iridium(III) complexes containing 2-phenyl-2H-indazole-based ligands for high efficient OLEDs with EQE over 25%","Inorganica Chimica Acta","2020","509","","119704","","10.1016/j.ica.2020.119704","","","0.71073","MoKα","","0.1486","0.0828","","","0.2219","0.2548","","","","","","0.999","","","","has coordinates","268313","2021-08-31","07:39:49",""
"1564470","20.4487","0.001","5.2605","0.0003","18.3325","0.0009","90","","96.546","0.002","90","","1959.18","0.18","100","2","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H46 N4 O14 S2 Zn -","- C34 H46 N4 O14 S2 Zn -","- C68 H92 N8 O28 S4 Zn2 -","2","0.5","","García-García, Amalia; Echenique-Errandonea, Estitxu; Cepeda, Javier; Choquesillo-Lazarte, Duane; Seco, José M.; Salinas-Castillo, Alfonso; Sánchez-Moreno, Manuel; Méndez-Arriaga, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence and in vitro cytotoxicity analysis in a novel mononuclear Zn(II) coordination compound based on bumetanide","Inorganica Chimica Acta","2020","509","","119708","","10.1016/j.ica.2020.119708","","","1.54178","CuKα","","0.073","0.0667","","","0.1744","0.1811","","","","","","1.094","","","","has coordinates","268314","2021-08-31","07:53:33",""
"1564471","8.801","0.0001","17.1118","0.0002","10.4302","0.0001","90","","92.78","0.001","90","","1568.95","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32.58 H32.31 Cl Mn N4 O6.58 -","- C32.578 H32.312 Cl Mn N4 O6.578 -","- C65.156 H64.624 Cl2 Mn2 N8 O13.156 -","2","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","1.54184","CuKα","","0.0359","0.0353","","","0.089","0.0893","","","","","","1.029","","","","has coordinates","268315","2021-08-31","07:57:32",""
"1564472","10.4651","0.0004","16.0394","0.0006","11.9601","0.0004","90","","96.669","0.004","90","","1993.97","0.13","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl1.535 I0.465 N4 Pt -","- C18 H24 Cl1.5347 I0.4653 N4 Pt -","- C72 H96 Cl6.1388 I1.8612 N16 Pt4 -","4","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","0.71073","MoKα","","0.036","0.0258","","","0.0456","0.0491","","","","","","1.035","","","","has coordinates,has disorder","268316","2021-08-31","07:59:00",""
"1564473","8.1878","0.0003","27.6088","0.001","9.0472","0.0003","90","","105.741","0.004","90","","1968.47","0.13","100.2","0.3","100.2","0.3","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H25.45 Cl1.708 I0.292 N4 O0.727 Pt -","- C18 H25.454 Cl1.708 I0.292 N4 O0.727 Pt -","- C72 H101.816 Cl6.832 I1.168 N16 O2.908 Pt4 -","4","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","0.71073","MoKα","","0.023","0.0222","","","0.0542","0.0549","","","","","","1.023","","","","has coordinates,has disorder","268317","2021-08-31","08:00:10",""
"1564474","18.8645","0.0004","8.6136","0.0002","10.2188","0.0002","90","","90.971","0.002","90","","1660.23","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Hg2 N12 O2 S4 -","- C28 H20 Hg2 N12 O2 S4 -","- C56 H40 Hg4 N24 O4 S8 -","2","0.5","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Miroslaw, Barbara; Safin, Damir A.; Echeverría, Jorge","Non-covalent interactions induced supramolecular architecture of Hg(NCS)2 with 3-pyridinecarbaldehyde nicotinoylhydrazone","Inorganica Chimica Acta","2020","509","","119700","","10.1016/j.ica.2020.119700","","","0.71073","MoKα","","0.0296","0.0236","","","0.054","0.0547","","","","","","0.976","","","","has coordinates","268318","2021-08-31","08:08:35",""
"1564475","7.8752","0.0003","7.8752","0.0003","25.283","0.002","90","","90","","90","","1568.02","0.15","293","2","293","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- In2.6 S2 Se6 Sn1.4 -","- In2.6 S2 Se6 Sn1.4 -","- In5.2 S4 Se12 Sn2.8 -","2","0.125","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1142","0.063","","","0.1705","0.1967","","","","","","1.003","","","","has coordinates,has disorder","268319","2021-08-31","08:41:39",""
"1564476","13.3741","0.0014","28.778","0.002","8.0083","0.0007","90","","90","","90","","3082.2","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12.2 H0 In2.8 N3.8 S2 Se6 Sn1.2 -","- C12.2 In2.8 N3.8 S2 Se6 Sn1.2 -","- C48.8 In11.2 N15.2 S8 Se24 Sn4.8 -","4","1","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1656","0.0813","","","0.1383","0.1734","","","","","","1.039","","","","has coordinates","268319","2021-08-31","08:41:42",""
"1564477","21.2157","0.0009","11.3247","0.0005","15.6853","0.0007","90","","90","","90","","3768.6","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 Ge4 In N8 O S13 -","- C12 Ge4 In N8 O S13 -","- C48 Ge16 In4 N32 O4 S52 -","4","0.5","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1603","0.0866","","","0.2165","0.2747","","","","","","1.058","","","","has coordinates","268319","2021-08-31","08:41:52",""
"1564478","24.5715","0.0009","5.7176","0.0002","15.761","0.0006","90","","92.162","0.002","90","","2212.69","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O8 Zn -","- C22 H24 N2 O8 Zn -","- C88 H96 N8 O32 Zn4 -","4","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0455","0.0309","","","0.0614","0.0659","","","","","","1.063","","","","has coordinates","268320","2021-08-31","08:46:42",""
"1564479","24.7566","0.001","5.6126","0.0002","16.3388","0.0006","90","","98.895","0.002","90","","2242.95","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cd N2 O8 -","- C22 H24 Cd N2 O8 -","- C88 H96 Cd4 N8 O32 -","4","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0198","0.0178","","","0.0453","0.0463","","","","","","1.102","","","","has coordinates","268321","2021-08-31","08:47:49",""
"1564480","19.0159","0.0008","5.6182","0.0002","22.2031","0.001","90","","101.525","0.002","90","","2324.24","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N4 O11 Zn -","- C44 H42 N4 O11 Zn -","- C88 H84 N8 O22 Zn2 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0598","0.0514","","","0.1518","0.1603","","","","","","1.073","","","","has coordinates,has disorder","268322","2021-08-31","08:49:05",""
"1564481","10.1812","0.0004","18.3797","0.0007","22.5622","0.0009","90","","96.937","0.001","90","","4191.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cd0.5 N2 O3.5 -","- C23 H22 Cd0.5 N2 O3.5 -","- C184 H176 Cd4 N16 O28 -","8","2","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0657","0.0355","","","0.0649","0.0731","","","","","","1.022","","","","has coordinates","268323","2021-08-31","08:50:18",""
"1564483","14.8071","0.0007","9.117","0.0004","31.0718","0.0015","90","","100.694","0.003","90","","4121.7","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 N8 Ni O3 S2 -","- C43 H40 N8 Ni O3 S2 -","- C172 H160 N32 Ni4 O12 S8 -","4","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Gurbanov, Atash V.; Safin, Damir A.","New metal chelate constructed from Ni(NCS)2 and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane","Inorganica Chimica Acta","2020","509","","119707","","10.1016/j.ica.2020.119707","","","0.71073","MoKα","","0.0781","0.044","","","0.095","0.1086","","","","","","1.026","","","","has coordinates","268325","2021-08-31","08:55:25",""
"1564484","9.3569","0.0005","6.9192","0.0003","19.6414","0.0009","90","","90.121","0.003","90","","1271.63","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cu N2 O5 -","- C12 H9 Cu N2 O5 -","- C48 H36 Cu4 N8 O20 -","4","1","","Dana, Farshid; Soleimannejad, Janet; Moghzi, Faezeh; Taherzade, Seyed Dariush; Janczak, Jan","A new stable and reusable nanoscale Cu(II) coordination polymer as an efficient dye adsorbent","Inorganica Chimica Acta","2020","509","","119716","","10.1016/j.ica.2020.119716","","","0.71073","MoKα","","0.0743","0.0431","","","0.0778","0.0873","","","","","","1","","","","has coordinates","268326","2021-08-31","09:25:01",""
"1564485","21.4608","0.0004","21.4608","0.0004","14.8972","0.0003","90","","90","","120","","5941.9","0.2","93","2","93","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C40 H102 Cl5.01 F0 Mo6 N19 O38.04 Ti -","- C40 H102 Cl5.01 Mo6 N19 O38.04 Ti -","- C120 H305.999 Cl15.03 Mo18 N57 O114.12 Ti3 -","3","0.333333","","Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito","Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution","Inorganica Chimica Acta","2020","509","","119691","","10.1016/j.ica.2020.119691","","","1.54178","CuKα","","0.048","0.0442","","","0.1117","0.114","","","","","","1.047","","","","has coordinates","268327","2021-08-31","09:29:56",""
"1564486","22.041","0.0012","22.041","0.0012","14.5043","0.0008","90","","90","","120","","6102.2","0.6","93","2","93","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C36 H90 Cl6 In2 Mo6 N18 O45 -","- C36 H96 Cl6 In2 Mo6 N18 O45.9999 -","- C108 H288 Cl18 In6 Mo18 N54 O138 -","3","0.333333","","Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito","Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution","Inorganica Chimica Acta","2020","509","","119691","","10.1016/j.ica.2020.119691","","","1.54178","CuKα","","0.0559","0.0556","","","0.146","0.1464","","","","","","0.936","","","","has coordinates,has disorder","268327","2021-08-31","09:29:57",""
"1564487","23.8266","0.0004","11.62179","0.00016","15.2014","0.0002","90","","106.68","0.0017","90","","4032.26","0.11","130","1","130","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C176 H160 N32 O32 -","16","4","","Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N.","Study of penicillin degradation mechanism upon interaction with silver(I) ions","Inorganica Chimica Acta","2020","509","","119683","","10.1016/j.ica.2020.119683","","x-ray","1.54184","CuKα","","0.0535","0.0532","","","0.1417","0.1422","","","","","","1.029","","","","has coordinates","268328","2021-08-31","09:40:43",""
"1564488","5.8137","0.0017","15.8848","0.0019","17.238","0.003","90","","90","","90","","1591.9","0.6","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C64 H72 N8 O16 S4 -","4","1","","Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N.","Study of penicillin degradation mechanism upon interaction with silver(I) ions","Inorganica Chimica Acta","2020","509","","119683","","10.1016/j.ica.2020.119683","","","0.71073","MoKα","","0.0955","0.0575","","0.12","0.1009","0.1009","","","","","","0.9997","","","","has coordinates","268328","2021-08-31","09:40:44",""
"1564499","12.6653","0.0012","27.532","0.003","30.342","0.003","90","","114.672","0.003","90","","9614.4","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H77 B3 Cu4 F12 N8 O14 -","- C103 H77 B3 Cu4 F12 N8 O14 -","- C412 H308 B12 Cu16 F48 N32 O56 -","4","1","","Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei","Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties","Inorganica Chimica Acta","2020","508","","119608","","10.1016/j.ica.2020.119608","","","0.71073","MoKα","","0.106","0.0912","","","0.2258","0.2354","","","","","","1.102","","","","has coordinates,has disorder","268342","2021-09-01","08:12:23",""
"1564500","12.1975","0.0009","12.4104","0.0009","17.8547","0.0014","70.223","0.002","88.709","0.002","72.112","0.002","2410.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Cu2(NEA)4(CH3CN)4","","","- C56 H48 Cu2 N4 O8 -","- C56 H48 Cu2 N4 O8 -","- C112 H96 Cu4 N8 O16 -","2","1","","Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei","Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties","Inorganica Chimica Acta","2020","508","","119608","","10.1016/j.ica.2020.119608","","","0.71073","MoKα","","0.0535","0.0396","","","0.0893","0.0955","","","","","","1.027","","","","has coordinates","268344","2021-09-01","08:13:34",""
"1564501","36.7458","0.0018","10.2985","0.0005","27.4148","0.0014","90","","110.839","0.001","90","","9695.8","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cu2(NeA)4(CH3CN)2.2.5CH3CN","","","- C53 H37 Cu2 N4.5 O8 -","- C53 H37 Cu2 N4.5005 O8 -","- C424 H296 Cu16 N36.004 O64 -","8","1","","Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei","Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties","Inorganica Chimica Acta","2020","508","","119608","","10.1016/j.ica.2020.119608","","","0.71073","MoKα","","0.069","0.0506","","","0.1351","0.1464","","","","","","1.035","","","","has coordinates,has disorder","268345","2021-09-01","08:14:48",""
"1564502","7.625","0.004","16.759","0.008","32.601","0.016","90","","90","","90","","4166","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl2 N7 O6 Zn -","- C14 H19 Cl2 N7 O6 Zn -","- C112 H152 Cl16 N56 O48 Zn8 -","8","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0373","0.0322","","","0.0928","0.0971","","","","","","1.044","","","","has coordinates,has disorder","268346","2021-09-01","08:21:18",""
"1564503","14.508","0.0005","8.4326","0.0002","16.2855","0.0005","90","","101.904","0.001","90","","1949.52","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N9 O7 Zn -","- C14 H17 N9 O7 Zn -","- C56 H68 N36 O28 Zn4 -","4","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0569","0.0348","","","0.0782","0.086","","","","","","1.01","","","","has coordinates","268346","2021-09-01","08:21:19",""
"1564504","15.028","0.009","8.302","0.005","24.003","0.015","90","","95.71","0.015","90","","2980","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl2 N4 Zn -","- C10 H16 Cl2 N4 Zn -","- C80 H128 Cl16 N32 Zn8 -","8","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0369","0.0289","","","0.0715","0.0753","","","","","","1.043","","","","has coordinates","268346","2021-09-01","08:21:19",""
"1564505","8.2043","0.0003","25.7781","0.0008","7.8686","0.0002","90","","118.463","0.0017","90","","1462.98","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 Cu2 N4 O2 -","- C34 H26 Cl2 Cu2 N4 O2 -","- C68 H52 Cl4 Cu4 N8 O4 -","2","0.5","","Thamilarasan, V.; Revathi, P.; Praveena, A.; Kim, Jinheung; Chandramohan, Vivek; Sengottuvelan, N.","Synthesis and characterization of dimeric Schiff base CoII, NiII, CuII complexes for their catalytic application of aerobic oxidation of alcohol and interaction with biomolecules","Inorganica Chimica Acta","2020","508","","119626","","10.1016/j.ica.2020.119626","","","0.71073","MoKα","","0.0426","0.0321","","","0.0661","0.0701","","","","","","1.103","","","","has coordinates","268347","2021-09-01","08:25:08",""
"1564506","10.2854","0.0017","39.205","0.006","11.94","0.002","90","","90","","90","","4814.7","1.4","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cu N8 O2 -","- C26 H22 Cu N8 O2 -","- C208 H176 Cu8 N64 O16 -","8","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.1536","0.0641","","","0.1269","0.1712","","","","","","1.025","","","","has coordinates","268348","2021-09-01","08:33:20",""
"1564507","10.3365","0.0011","12.0055","0.0013","39.117","0.004","90","","90","","90","","4854.2","0.9","273","2","273.15","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C26 H22 N8 O2 Zn -","- C26 H22 N8 O2 Zn -","- C208 H176 N64 O16 Zn8 -","8","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.111","0.0523","","","0.1025","0.1275","","","","","","1.027","","","","has coordinates","268348","2021-09-01","08:33:28",""
"1564508","8.6985","0.0011","8.7793","0.0011","12.6496","0.0016","94.723","0.003","96.994","0.003","118.855","0.002","828.64","0.18","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Cl2 Cu N4 O3 -","- C13 H16 Cl2 Cu N4 O3 -","- C26 H32 Cl4 Cu2 N8 O6 -","2","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.0546","0.0353","","","0.0774","0.0827","","","","","","1.118","","","","has coordinates","268348","2021-09-01","08:33:32",""
"1564509","8.8985","0.0011","8.9337","0.0011","12.8937","0.0016","95.985","0.002","97.046","0.002","119.341","0.002","870.61","0.19","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Br2 Cu N4 O3 -","- C13 H16 Br2 Cu N4 O3 -","- C26 H32 Br4 Cu2 N8 O6 -","2","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.0583","0.0338","","","0.0718","0.0792","","","","","","1.082","","","","has coordinates","268348","2021-09-01","08:33:35",""
"1564510","14.797","0.007","16.179","0.008","16.859","0.007","70.283","0.019","73.998","0.019","79.183","0.019","3632","3","293.15","0.02","293.15","0.02","","","","","","","","8","P -1","-P 1","2","","","","- C96 H64 Cl4 Cu4 N16 O40 P W12 -","- C96 H64 Cl4 Cu4 N16 O40 P W12 -","- C96 H64 Cl4 Cu4 N16 O40 P W12 -","1","0.5","","Guo, Hong; Yu, Zhaoqiang; Su, Yajun; Jiang, Xin-Dong","Synthesis of a novel 3D supramolecular hybrid via in situ self-assembly for the degradation of organic dyes","Inorganica Chimica Acta","2020","508","","119625","","10.1016/j.ica.2020.119625","","x-ray","0.71075","MoKα","","0.1553","0.1247","","","0.3258","0.362","","","","","","1.044","","","","has coordinates,has disorder","268349","2021-09-01","08:38:30",""
"1564551","11.4211","0.0005","14.8838","0.0008","12.3249","0.0007","90","","108.247","0.002","90","","1989.75","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Hg2 N4 S8 -","- C28 H56 Hg2 N4 S8 -","- C56 H112 Hg4 N8 S16 -","2","0.5","","Rodina, Tatyana A.; Loseva, Olga V.; Smolentsev, Anton I.; Antzutkin, Oleg N.; Ivanov, Alexander V.","Crystal structure, solid-state 13C and 15N NMR characterisation, chemisorption activity and thermal behaviour of new mercury(II) dipropyldithiocarbamate: Binuclear, pseudo-binuclear and heteronuclear complexes of [Hg2(PrDtc)4], [Hg(PrDtc)2]2 and [Au(PrDtc)2]2[Hg2Cl6]","Inorganica Chimica Acta","2020","508","","119630","","10.1016/j.ica.2020.119630","","","0.71073","MoKα","","0.0318","0.024","","","0.051","0.0526","","","","","","1.07","","","","has coordinates","268996","2021-09-07","06:45:50",""
"1564552","10.5935","0.0005","11.3692","0.0005","16.9616","0.0008","90","","94.076","0.002","90","","2037.68","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Hg N2 S4 -","- C14 H28 Hg N2 S4 -","- C56 H112 Hg4 N8 S16 -","4","1","","Rodina, Tatyana A.; Loseva, Olga V.; Smolentsev, Anton I.; Antzutkin, Oleg N.; Ivanov, Alexander V.","Crystal structure, solid-state 13C and 15N NMR characterisation, chemisorption activity and thermal behaviour of new mercury(II) dipropyldithiocarbamate: Binuclear, pseudo-binuclear and heteronuclear complexes of [Hg2(PrDtc)4], [Hg(PrDtc)2]2 and [Au(PrDtc)2]2[Hg2Cl6]","Inorganica Chimica Acta","2020","508","","119630","","10.1016/j.ica.2020.119630","","","0.71073","MoKα","","0.0547","0.0328","","","0.0623","0.0673","","","","","","1.001","","","","has coordinates","268996","2021-09-07","06:45:51",""
"1564553","10.0829","0.0006","10.2365","0.0006","12.7769","0.0008","79.786","0.002","69.074","0.002","89.732","0.002","1209.78","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H56 Au2 Cl6 Hg2 N4 S8 -","- C28 H56 Au2 Cl6 Hg2 N4 S8 -","- C28 H56 Au2 Cl6 Hg2 N4 S8 -","1","0.5","","Rodina, Tatyana A.; Loseva, Olga V.; Smolentsev, Anton I.; Antzutkin, Oleg N.; Ivanov, Alexander V.","Crystal structure, solid-state 13C and 15N NMR characterisation, chemisorption activity and thermal behaviour of new mercury(II) dipropyldithiocarbamate: Binuclear, pseudo-binuclear and heteronuclear complexes of [Hg2(PrDtc)4], [Hg(PrDtc)2]2 and [Au(PrDtc)2]2[Hg2Cl6]","Inorganica Chimica Acta","2020","508","","119630","","10.1016/j.ica.2020.119630","","","0.71073","MoKα","","0.0179","0.0165","","","0.0383","0.0386","","","","","","1.053","","","","has coordinates,has disorder","268996","2021-09-07","06:45:51",""
"1564554","8.747","0.0003","19.4254","0.0007","11.6497","0.0004","90","","90.89","0.001","90","","1979.21","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Dy2 O26 Pt2 -","- C24 H42 Dy2 O26 Pt2 -","- C48 H84 Dy4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0261","0.0227","","","0.0423","0.0431","","","","","","1.085","","","","has coordinates","268997","2021-09-07","06:55:30",""
"1564555","8.798","0.0018","19.483","0.004","11.688","0.002","90","","90.993","0.014","90","","2003.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Er2 O26 Pt2 -","- C24 H42 Er2 O26 Pt2 -","- C48 H84 Er4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.96989","synchrotron","","0.0352","0.0265","","","0.0626","0.0735","","","","","","1.098","","","","has coordinates","268998","2021-09-07","06:57:46",""
"1564556","7.227","0.0011","8.67","0.0005","12.896","0.0011","84.503","0.006","84.73","0.02","73.6","0.01","769.82","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 In O10 Pt -","- C10 H15 In O10 Pt -","- C20 H30 In2 O20 Pt2 -","2","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.80241","synchrotron","","0.0315","0.0311","","","0.0853","0.0856","","","","","","1.099","","","","has coordinates","268999","2021-09-07","06:59:29",""
"1564557","8.804","0.0018","19.738","0.003","11.84","0.0016","90","","90.927","0.017","90","","2057.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Nd2 O26 Pt2 -","- C24 H42 Nd2 O26 Pt2 -","- C48 H84 Nd4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.96989","synchrotron","","0.0437","0.0308","","","0.0669","0.0738","","","","","","1.131","","","","has coordinates","269000","2021-09-07","07:01:52",""
"1564558","8.2192","0.0002","9.3793","0.0002","12.8044","0.0002","84.1599","0.0007","75.8047","0.0007","86.4145","0.0007","951.27","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 Ni2 O26 Pt -","- C24 H44 Ni2 O26 Pt -","- C24 H44 Ni2 O26 Pt -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.021","0.0206","","","0.0443","0.0445","","","","","","1.057","","","","has coordinates","269001","2021-09-07","07:03:43",""
"1564559","8.1473","0.0002","9.7555","0.0003","13.4296","0.0004","77.6965","0.0009","76.0087","0.0009","70.3974","0.0008","965.48","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Ni O13 Pt -","- C12 H22 Ni O13 Pt -","- C24 H44 Ni2 O26 Pt2 -","2","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0204","0.0197","","","0.0501","0.0504","","","","","","1.219","","","","has coordinates","269002","2021-09-07","07:05:40",""
"1564560","8.776","0.0018","19.571","0.004","11.763","0.002","90","","90.916","0.014","90","","2020.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O26 Pt2 Sm2 -","- C24 H42 O26 Pt2 Sm2 -","- C48 H84 O52 Pt4 Sm4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.80246","synchrotron","","0.0364","0.0348","","","0.0913","0.093","","","","","","1.05","","","","has coordinates","269003","2021-09-07","07:07:54",""
"1564561","8.7371","0.0006","19.3417","0.0013","11.5868","0.0008","90","","90.942","0.002","90","","1957.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O26 Pt2 Yb2 -","- C24 H42 O26 Pt2 Yb2 -","- C48 H84 O52 Pt4 Yb4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0197","0.0172","","","0.0329","0.0335","","","","","","1.07","","","","has coordinates","269004","2021-09-07","07:10:15",""
"1564562","8.8731","0.0006","19.6269","0.0012","11.5782","0.0007","90","","90.894","0.002","90","","2016.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Lu2 O26 Pt2 -","- C24 H42 Lu2 O26 Pt2 -","- C48 H84 Lu4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.088","0.0634","","","0.1457","0.1576","","","","","","1.081","","","","has coordinates","269005","2021-09-07","07:11:38",""
"1564563","10.088","0.003","8.065","0.002","18.647","0.003","90","","101.16","0.02","90","","1488.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Mn O8 Pt -","- C11 H15 Mn O8 Pt -","- C44 H60 Mn4 O32 Pt4 -","4","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.787","synchrotron","","0.0341","0.0329","","","0.0745","0.0752","","","","","","1.103","","","","has coordinates","269006","2021-09-07","07:13:07",""
"1564564","8.591","0.0017","12.052","0.002","12.22","0.001","113.424","0.013","102.33","0.02","91.729","0.004","1124.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Co2 O30 Pt2 -","- C28 H48 Co2 O30 Pt2 -","- C28 H48 Co2 O30 Pt2 -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.9699","synchrotron","","0.0521","0.0355","","","0.0827","0.092","","","","","","1.081","","","","has coordinates","269007","2021-09-07","07:14:51",""
"1564565","8.529","0.0017","11.974","0.002","12.244","0.003","113.515","0.006","102.247","0.011","92.457","0.017","1109.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Ni2 O30 Pt2 -","- C28 H48 Ni2 O30 Pt2 -","- C28 H48 Ni2 O30 Pt2 -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.9699","synchrotron","","0.0457","0.0353","","","0.0859","0.112","","","","","","1.174","","","","has coordinates","269008","2021-09-07","07:15:58",""
"1564566","8.6631","0.0017","9.0829","0.0018","10.801","0.002","82.543","0.016","74.424","0.005","76.944","0.0011","795.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cd2 O20 Pt2 -","- C20 H32 Cd2 O20 Pt2 -","- C20 H32 Cd2 O20 Pt2 -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.9699","synchrotron","","0.0501","0.0459","","","0.1114","0.1127","","","","","","1.059","","","","has coordinates","269009","2021-09-07","07:17:31",""
"1564567","8.3916","0.0007","10.7689","0.0008","11.3032","0.0009","93.6818","0.001","101.107","0.001","103.754","0.0011","967.07","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu O13 Pt -","- C12 H22 Cu O13 Pt -","- C24 H44 Cu2 O26 Pt2 -","2","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0197","0.0183","","","0.0422","0.0426","","","","","","1.034","","","","has coordinates","269010","2021-09-07","07:18:59",""
"1564568","7.1349","0.0012","13.9708","0.0019","8.3593","0.0015","90","","90.18","0.007","90","","833.3","0.2","109","2","109.38","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C28 H32 N16 S4 -","4","1","","Sahu, Meman; Kumar Manna, Amit; Rout, Kalyani; Mondal, Jahangir; Patra, Goutam K.","A highly selective thiosemicarbazone based Schiff base chemosensor for colorimetric detection of Cu2+ and Ag+ ions and turn-on fluorometric detection of Ag+ ions","Inorganica Chimica Acta","2020","508","","119633","","10.1016/j.ica.2020.119633","","","0.71073","MoKα","","0.0502","0.0449","","","0.1162","0.1263","","","","","","1.0814","","","","has coordinates","269011","2021-09-07","07:22:54",""
"1564569","19.2412","0.001","11.9416","0.0005","17.396","0.0009","90","","111.166","0.006","90","","3727.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Cl4 Ho N8 O10 -","- C34 H37 Cl4 Ho N8 O10 -","- C136 H148 Cl16 Ho4 N32 O40 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0472","0.0459","","","0.1206","0.1217","","","","","","1.098","","","","has coordinates","269012","2021-09-07","08:08:45",""
"1564570","19.2412","0.001","11.9416","0.0005","17.396","0.0009","90","","111.166","0.006","90","","3727.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Cl4 Dy N8 O10 -","- C34 H37 Cl4 Dy N8 O10 -","- C136 H148 Cl16 Dy4 N32 O40 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0481","0.0467","","","0.1256","0.1267","","","","","","1.079","","","","has coordinates","269013","2021-09-07","08:18:59",""
"1564571","19.2616","0.001","11.993","0.0007","17.4392","0.0011","90","","111.236","0.002","90","","3755","0.4","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N8 O12 Sm -","- C34 H38 N8 O12 Sm -","- C136 H152 N32 O48 Sm4 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0382","0.0339","","","0.0823","0.0847","","","","","","1.067","","","","has coordinates","269014","2021-09-07","08:20:51",""
"1564572","19.2186","0.0011","11.9541","0.0007","17.4051","0.0009","90","","111.285","0.002","90","","3725.9","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N8 O12 Tb -","- C34 H38 N8 O12 Tb -","- C136 H152 N32 O48 Tb4 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0384","0.0332","","","0.0786","0.0816","","","","","","1.067","","","","has coordinates","269015","2021-09-07","08:22:55",""
"1564573","16.0211","0.0009","11.9141","0.0006","20.3289","0.0009","90","","101.471","0.002","90","","3802.8","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 N10 O17 Pr -","- C34 H37 N10 O17 Pr -","- C136 H148 N40 O68 Pr4 -","4","1","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0557","0.038","","","0.0936","0.1031","","","","","","1.059","","","","has coordinates","269016","2021-09-07","08:25:12",""
"1564574","21.9624","0.0004","21.9624","0.0004","20.8625","0.0011","90","","90","","120","","8714.8","0.5","150","2","150.05","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C153 H117 Cl2 Gd7 N36 O38 -","- C153 H117 Cl2 Gd7 N36 O38 -","- C306 H234 Cl4 Gd14 N72 O76 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0566","0.0393","","","0.0929","0.1049","","","","","","1.032","","","","has coordinates,has disorder","269017","2021-09-07","08:31:10",""
"1564575","21.8289","0.0004","21.8289","0.0004","20.8477","0.0005","90","","90","","120","","8603.1","0.3","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C153 H132 Ho7 N36 O40.5 -","- C153 H132 Ho7 N36 O40.4996 -","- C306 H263.999 Ho14 N72 O80.9992 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","x-ray","0.71073","MoKα","","0.0571","0.0417","","","0.1082","0.1181","","","","","","1.068","","","","has coordinates,has disorder","269018","2021-09-07","08:33:59",""
"1564576","21.8806","0.0005","21.8806","0.0005","20.7765","0.0011","90","","90","","120","","8614.3","0.5","150","2","150","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C153 H102 Dy7 N33 O32 -","- C153 H102 Dy7 N33 O32 -","- C306 H204 Dy14 N66 O64 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0628","0.0425","","","0.1","0.1146","","","","","","1.024","","","","has coordinates","269019","2021-09-07","08:37:22",""
"1564577","21.7953","0.0005","21.7953","0.0005","20.9712","0.0013","90","","90","","120","","8627.4","0.6","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C153.01 H105 Er7 N36 O32 -","- C153 H105 Er7 N36 O32 -","- C306 H210 Er14 N72 O64 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0833","0.0552","","","0.1416","0.1672","","","","","","1.039","","","","has coordinates,has disorder","269020","2021-09-07","08:38:47",""
"1564578","9.3789","0.0003","7.3342","0.0003","23.3025","0.0008","90","","90","","90","","1602.9","0.1","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 Mn3 N4 O12 -","- C10 H10 Mn3 N4 O12 -","- C40 H40 Mn12 N16 O48 -","4","0.5","","Sun, Ping-Ping; Zhang, Yu-Hang; Yu, Xuehua; Shi, Qi; Tian, Bo; Gao, Jun; Shi, Fa-Nian","Cu powder decorated 3D Mn-MOF with excellent electrochemical properties for supercapacitors","Inorganica Chimica Acta","2020","508","","119629","","10.1016/j.ica.2020.119629","","x-ray","0.71073","MoKα","","0.0454","0.0333","","","0.0757","0.0827","","","","","","1.061","","","","has coordinates","269021","2021-09-07","09:19:34",""
"1564579","8.7828","0.0003","17.1305","0.0006","9.9907","0.0003","90","","102.028","0.003","90","","1470.14","0.09","119.96","0.13","119.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Mn N6 O6 -","- C30 H36 Mn N6 O6 -","- C60 H72 Mn2 N12 O12 -","2","0.5","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.0272","0.0245","","","0.0721","0.0739","","","","1.44","1.44","1.42","","","","has coordinates","269022","2021-09-07","09:29:07",""
"1564580","6.4811","0.0003","7.1952","0.0003","11.4811","0.0009","93.54","0.005","97.432","0.006","96.561","0.004","525.83","0.05","95","0.1","95","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu N4 O4 -","- C24 H22 Cu N4 O4 -","- C24 H22 Cu N4 O4 -","1","0.5","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.0534","0.0388","","","0.1023","0.1219","","","","1.39","1.39","1.4","","","","has coordinates","269022","2021-09-07","09:29:17",""
"1564581","16.1377","0.0005","8.759","0.0002","19.1441","0.0006","90","","110.237","0.003","90","","2538.98","0.14","122.1","0.3","122.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N4 Ni O6 -","- C26 H30 N4 Ni O6 -","- C104 H120 N16 Ni4 O24 -","4","1","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.034","0.0307","","","0.0872","0.0898","","","","1.65","1.65","1.61","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564582","9.263","0.0003","18.2874","0.0006","20.6851","0.0007","71.394","0.003","85.959","0.003","83.585","0.003","3297.8","0.2","95","0.1","95","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Fe N6 O6 -","- C36 H33 Fe N6 O6 -","- C144 H132 Fe4 N24 O24 -","4","2","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.0723","0.0428","","","0.1054","0.1226","","","","1.3","1.3","1.22","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564583","20.2082","0.0007","18.663","0.0008","18.4793","0.0011","90","","90","","90","","6969.4","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H102 Co2 La N5 O16 -","- C56 H102 Co2 La N5 O16 -","- C224 H408 Co8 La4 N20 O64 -","4","0.5","","Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.","Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes","Inorganica Chimica Acta","2020","508","","119643","","10.1016/j.ica.2020.119643","","","0.71073","MoKα","","0.0584","0.0414","","","0.0881","0.0933","","","","","","1.044","","","","has coordinates,has disorder","269023","2021-09-07","09:35:21",""
"1564584","23.0878","0.001","26.4673","0.0014","27.3749","0.0014","90","","90","","90","","16728","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H110 N5 O16 Tb Zn2 -","- C76 H110 N5 O16 Tb Zn2 -","- C608 H880 N40 O128 Tb8 Zn16 -","8","1","","Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.","Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes","Inorganica Chimica Acta","2020","508","","119643","","10.1016/j.ica.2020.119643","","","0.71073","MoKα","","0.0751","0.0475","","","0.1077","0.1294","","","","","","1.154","","","","has coordinates,has disorder","269023","2021-09-07","09:35:23",""
"1564585","16.6146","0.0016","7.5227","0.0007","18.9472","0.0017","90","","101.911","0.003","90","","2317.2","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H29 Cu N3 O5 -","- C22 H29 Cu N3 O5 -","- C88 H116 Cu4 N12 O20 -","4","1","","Liu, Chao; Chen, Ming-Xing; Li, Ming","Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands","Inorganica Chimica Acta","2020","508","","119639","","10.1016/j.ica.2020.119639","","","0.71073","MoKα","","0.0351","0.032","","","0.0813","0.0833","","","","","","1.055","","","","has coordinates","269024","2021-09-07","09:43:37",""
"1564586","24.454","0.006","24.454","0.006","16.024","0.004","90","","90","","90","","9582","4","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H50 N6 O12 Zn3 -","- C44 H50 N6 O12 Zn3 -","- C352 H400 N48 O96 Zn24 -","8","0.5","","Liu, Chao; Chen, Ming-Xing; Li, Ming","Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands","Inorganica Chimica Acta","2020","508","","119639","","10.1016/j.ica.2020.119639","","","0.71073","MoKα","","0.0554","0.0318","","","0.0729","0.0843","","","","","","1.034","","","","has coordinates","269024","2021-09-07","09:43:41",""
"1564587","10.144","0.002","11.501","0.002","16.118","0.003","91.97","0.03","93.83","0.03","110.58","0.03","1753.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N4 O5 Zn2 -","- C29 H30 N4 O5 Zn2 -","- C58 H60 N8 O10 Zn4 -","2","1","","Liu, Chao; Chen, Ming-Xing; Li, Ming","Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands","Inorganica Chimica Acta","2020","508","","119639","","10.1016/j.ica.2020.119639","","","0.71073","MoKα","","0.0515","0.0374","","","0.1006","0.1063","","","","","","1.04","","","","has coordinates","269024","2021-09-07","09:43:41",""
"1564588","15.7212","0.0007","15.7212","0.0007","59.122","0.003","90","","90","","120","","12654.7","1","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C72 H81 Cl3 F6 P4 S7 W3 -","- C72 H81 Cl3 F6 P4 S7 W3 -","- C432 H486 Cl18 F36 P24 S42 W18 -","6","0.333333","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem'ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Laricheva, Yuliya A.; Fomenko, Iakov S.; Piryazev, Dmitriy A.; Sheven, Dmitriy G.; Sokolov, Maxim N.","Trinuclear M3S4 cluster complexes with hemilabile phosphino-thioether ligands: Some experimental and theoretical aspects","Inorganica Chimica Acta","2020","508","","119645","","10.1016/j.ica.2020.119645","","","0.71073","MoKα","","0.0692","0.0557","","","0.1212","0.1263","","","","","","1.108","","","","has coordinates","269048","2021-09-08","08:31:57",""
"1564589","14.2529","0.0008","17.4818","0.0009","17.8346","0.0009","89.934","0.002","72.574","0.002","78.179","0.002","4141.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H99 Cl3 F6 P4 S7 W3 -","- C69 H99 Cl3 F6 P4 S7 W3 -","- C138 H198 Cl6 F12 P8 S14 W6 -","2","1","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem'ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Laricheva, Yuliya A.; Fomenko, Iakov S.; Piryazev, Dmitriy A.; Sheven, Dmitriy G.; Sokolov, Maxim N.","Trinuclear M3S4 cluster complexes with hemilabile phosphino-thioether ligands: Some experimental and theoretical aspects","Inorganica Chimica Acta","2020","508","","119645","","10.1016/j.ica.2020.119645","","","0.71073","MoKα","","0.0711","0.0426","","","0.0931","0.1044","","","","","","1.007","","","","has coordinates,has disorder","269048","2021-09-08","08:31:58",""
"1564590","10.5491","0.0002","12.9255","0.0003","23.2034","0.0005","90","","101.887","0.001","90","","3095.99","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Li N3 O -","- C35 H44 Li N3 O -","- C140 H176 Li4 N12 O4 -","4","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0806","0.0543","","","0.1237","0.1368","","","","","","1.029","","","","has coordinates,has disorder","269049","2021-09-08","08:40:33",""
"1564591","10.9044","0.0018","10.4131","0.0017","37.838","0.005","90","","90.882","0.003","90","","4295.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H62 Cl2 N3 O2 Y -","- C45.5 H62 Cl2 N3 O2 Y -","- C182 H248 Cl8 N12 O8 Y4 -","4","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0647","0.0414","","","0.0854","0.0928","","","","","","1.034","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564592","10.9553","0.0006","19.7656","0.0011","11.4358","0.0006","90","","113.731","0.001","90","","2266.9","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H64 Cl3 Li N3 O4 Y -","- C45 H64 Cl3 Li N3 O4 Y -","- C90 H128 Cl6 Li2 N6 O8 Y2 -","2","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0464","0.0376","","","0.082","0.0851","","","","","","0.994","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564593","11.8982","0.0004","12.2653","0.0005","14.4785","0.0005","90","","110.588","0.0016","90","","1977.97","0.13","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H56 I N3 O3 Yb -","- C41 H56 I N3 O3 Yb -","- C82 H112 I2 N6 O6 Yb2 -","2","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0502","0.0465","","","0.0977","0.0994","","","","","","1.026","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564594","16.945","0.01","17.795","0.011","26.03","0.015","94.957","0.007","102.512","0.008","110.026","0.007","7088","7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 Cu8 N44 Nb48 O220 -","- C44 Cu8 N44 Nb48 O220 -","- C44 Cu8 N44 Nb48 O220 -","1","0.5","","Li, Nan; Wei, Genlong; Cheng, Mengyuan; Pang, Xiaoshuai; Wang, Ke; Wang, Guan; Zhang, Dongdi","Copper(II)‒ethylenediamine linked Nb24 dimer with one dimensional chain architecture","Inorganica Chimica Acta","2020","508","","119646","","10.1016/j.ica.2020.119646","","","0.71073","MoKα","","0.0494","0.0402","","","0.1278","0.1353","","","","","","1.041","","","","has coordinates,has disorder","269050","2021-09-08","08:52:34",""
"1564619","7.1024","0.0004","14.4921","0.0008","22.4437","0.0011","90","","90","","90","","2310.1","0.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C39 H57 Cd2 N9 O13 -","- C39 H57 Cd2 N9 O13 -","- C78 H114 Cd4 N18 O26 -","2","0.25","","Lu, Lu; Wang, Jun; Zhou, Shanhe; Zhong, Yuyu; Sun, Yanchun; Wu, Xiren; Singh, Amita; Kumar, Abhinav","Two new coordination polymers driven by polycarboxylate and N-donor spacers: Photocatalytic performance and theoretical analysis","Inorganica Chimica Acta","2020","508","","119647","","10.1016/j.ica.2020.119647","","","0.71073","MoKα","","0.0491","0.0378","","","0.096","0.1033","","","","","","1.129","","","","has coordinates,has disorder","269126","2021-09-14","08:34:29",""
"1564620","14.3581","0.0011","14.9372","0.0012","15.4232","0.0012","110.925","0.001","112.548","0.001","98.7567","0.001","2688.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H65 N9 O13 Zn2 -","- C50 H65 N9 O13 Zn2 -","- C100 H130 N18 O26 Zn4 -","2","1","","Lu, Lu; Wang, Jun; Zhou, Shanhe; Zhong, Yuyu; Sun, Yanchun; Wu, Xiren; Singh, Amita; Kumar, Abhinav","Two new coordination polymers driven by polycarboxylate and N-donor spacers: Photocatalytic performance and theoretical analysis","Inorganica Chimica Acta","2020","508","","119647","","10.1016/j.ica.2020.119647","","","0.71073","MoKα","","0.0886","0.0566","","","0.1565","0.1764","","","","","","1.042","","","","has coordinates","269126","2021-09-14","08:34:30",""
"1564621","9.6154","0.0004","12.8506","0.0005","13.9804","0.0006","113.047","0.001","90.323","0.001","108.131","0.001","1494.53","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl6 Eu O8 -","- C25 H21 Cl6 Eu O8 -","- C50 H42 Cl12 Eu2 O16 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0295","0.0243","","","0.0582","0.0606","","","","","","1.016","","","","has coordinates","269127","2021-09-14","08:42:26",""
"1564622","7.8147","0.0007","12.8462","0.0011","13.1267","0.0012","80.253","0.002","88.482","0.002","74.914","0.002","1253.78","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Cl6 Gd O7 -","- C21 H11 Cl6 Gd O7 -","- C42 H22 Cl12 Gd2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0441","0.0364","","","0.1141","0.1289","","","","","","1.002","","","","has coordinates","269127","2021-09-14","08:42:26",""
"1564623","8.7314","0.0005","13.388","0.0008","14.8913","0.0009","112.277","0.001","104.034","0.001","93.383","0.001","1540.48","0.16","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 Eu N O7 -","- C26 H15 Cl6 Eu N O7 -","- C52 H30 Cl12 Eu2 N2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0432","0.0383","","","0.0954","0.1001","","","","","","1.11","","","","has coordinates,has disorder","269127","2021-09-14","08:42:26",""
"1564624","8.7131","0.0004","13.4379","0.0007","14.8739","0.0007","112.489","0.001","104.172","0.001","93.529","0.001","1536.52","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 Gd N O7 -","- C26 H15 Cl6 Gd N O7 -","- C52 H30 Cl12 Gd2 N2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0478","0.0405","","","0.0982","0.104","","","","","","1.07","","","","has coordinates,has disorder","269127","2021-09-14","08:42:27",""
"1564625","8.6854","0.0004","13.3341","0.0006","14.8312","0.0006","112.045","0.001","103.905","0.001","93.24","0.001","1524.71","0.12","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 N O7 Tb -","- C26 H15 Cl6 N O7 Tb -","- C52 H30 Cl12 N2 O14 Tb2 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0376","0.0336","","","0.0861","0.0893","","","","","","1.071","","","","has coordinates,has disorder","269127","2021-09-14","08:42:27",""
"1564626","8.7593","0.0008","13.2876","0.0013","14.923","0.0014","112.033","0.002","103.897","0.002","92.834","0.002","1544","0.3","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 Dy N O7 -","- C26 H15 Cl6 Dy N O7 -","- C52 H30 Cl12 Dy2 N2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.044","0.0376","","","0.0981","0.1032","","","","","","1.064","","","","has coordinates,has disorder","269127","2021-09-14","08:42:27",""
"1564627","7.85321","0.00015","10.98822","0.00016","20.4662","0.0004","80.0645","0.0014","81.6655","0.0016","89.1459","0.0014","1721.13","0.05","99.96","0.17","99.96","0.17","","","","","","","","6","P 1","P 1","1","","","","- C32 H43 Cl2 Ir N2 O5 -","- C32 H43 Cl2 Ir N2 O5 -","- C64 H86 Cl4 Ir2 N4 O10 -","2","2","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0644","0.0533","","","0.1684","0.2062","","","","","","1.0465","","","","has coordinates","269128","2021-09-14","08:54:09",""
"1564628","7.86878","0.00013","19.0328","0.0004","12.1261","0.0002","90","","99.9494","0.0017","90","","1788.75","0.06","99.97","0.1","99.97","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl8 N2 O5 Ru -","- C27 H38 Cl8 N2 O5 Ru -","- C54 H76 Cl16 N4 O10 Ru2 -","2","1","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0364","0.0303","","","0.0771","0.082","","","","","","1.0186","","","","has coordinates","269128","2021-09-14","08:54:09",""
"1564629","7.8667","0.0003","10.9861","0.0004","20.5635","0.0006","79.89","0.003","81.498","0.003","89.261","0.003","1730.21","0.11","99.9","0.3","99.9","0.3","","","","","","","","6","P 1","P 1","1","","","","- C32.167 H43.333 Cl2.333 N2 O5 Rh -","- C32.1667 H43.3333 Cl2.33333 N2 O5 Rh -","- C64.3333 H86.6667 Cl4.66666 N4 O10 Rh2 -","2","2","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0705","0.0562","","","0.1647","0.1916","","","","","","1.0408","","","","has coordinates","269128","2021-09-14","08:54:10",""
"1564630","18.7592","0.0007","9.7333","0.0004","16.0077","0.0006","90","","106.724","0.002","90","","2799.2","0.19","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C49 H45 Cu3 N7 O8 -","- C49 H45 Cu3 N7 O8 -","- C98 H90 Cu6 N14 O16 -","2","0.5","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.1037","0.0784","","","0.2251","0.25","","","","","","1.038","","","","has coordinates","269129","2021-09-14","09:04:44",""
"1564631","4.8085","0.0003","10.1516","0.0006","33.3476","0.0019","90","","91.218","0.003","90","","1627.46","0.17","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 Ni O4 -","- C19 H14 N2 Ni O4 -","- C76 H56 N8 Ni4 O16 -","4","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.1174","0.0508","","","0.0911","0.1096","","","","","","0.987","","","","has coordinates,has disorder","269129","2021-09-14","09:04:55",""
"1564632","17.0836","0.0005","15.8683","0.0005","17.8681","0.0004","90","","90","","90","","4843.8","0.2","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 N3 Ni O5 -","- C25 H23 N3 Ni O5 -","- C200 H184 N24 Ni8 O40 -","8","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.121","0.0525","","","0.1032","0.1266","","","","","","1.001","","","","has coordinates","269129","2021-09-14","09:05:01",""
"1564633","4.8639","0.0003","16.5889","0.0012","13.7485","0.0008","90","","97.091","0.003","90","","1100.84","0.12","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.0685","0.0445","","","0.1097","0.1227","","","","","","1.038","","","","has coordinates","269129","2021-09-14","09:05:10",""
"1564634","12.0325","0.0004","10.4098","0.0004","19.4563","0.0007","90","","103.904","0.002","90","","2365.61","0.15","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C112 H88 N8 O32 -","4","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.1245","0.0509","","","0.1152","0.1439","","","","","","0.984","","","","has coordinates","269129","2021-09-14","09:05:19",""
"1564649","10.4519","0.0006","10.9195","0.0006","11.3018","0.0008","77.556","0.003","62.55","0.002","74","0.002","1094.38","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene hemi1,4-Dioxane","","- C22 H24 Cl Fe N3 O S -","- C22 H24 Cl Fe N3 O S -","- C44 H48 Cl2 Fe2 N6 O2 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Ashraf, Muhammad; Hussain, Safdar; Naseer, Muhammad Moazzam; Khalid, Muhamamd; Hussain, Muhammad Ajaz; al-Rashida, Mariya; Tahir, Muhammad Nawaz; Asim, Sumreen; Shafiq, Zahid","Probing ferrocene-based thiosemicarbazones and their transition metal complexes as cholinesterase inhibitors","Inorganica Chimica Acta","2020","508","","119658","","10.1016/j.ica.2020.119658","","","0.71073","MoKα","","0.0523","0.0392","","","0.092","0.0994","","","","","","1.071","","","","has coordinates,has disorder","269151","2021-09-15","08:30:23",""
"1564650","7.1221","0.001","11.9489","0.0016","10.8718","0.0015","90","","101.612","0.003","90","","906.3","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cu N4 O2 S2 -","- C16 H18 Cu N4 O2 S2 -","- C32 H36 Cu2 N8 O4 S4 -","2","0.5","","Boulguemh, Imed-Eddine; Beghidja, Adel; Khattabi, Latifa; Long, Jérôme; Beghidja, Chahrazed","Monomeric and dimeric copper (II) complexes based on bidentate Nʹ-(propan-2-ylidene) thiophene carbohydrazide Schiff base ligand: Synthesis, structure, magnetic properties, antioxidant and anti-Alzheimer activities","Inorganica Chimica Acta","2020","507","","119519","","10.1016/j.ica.2020.119519","","","0.71073","MoKα","","0.0884","0.0552","","","0.1507","0.1733","","","","","","1.025","","","","has coordinates","269152","2021-09-15","08:56:06",""
"1564651","10.949","0.0003","17.8037","0.0005","13.1661","0.0004","90","","109.142","0.001","90","","2424.6","0.12","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl4 Cu2 N4 O2 S2 -","- C16 H20 Cl4 Cu2 N4 O2 S2 -","- C64 H80 Cl16 Cu8 N16 O8 S8 -","4","0.5","","Boulguemh, Imed-Eddine; Beghidja, Adel; Khattabi, Latifa; Long, Jérôme; Beghidja, Chahrazed","Monomeric and dimeric copper (II) complexes based on bidentate Nʹ-(propan-2-ylidene) thiophene carbohydrazide Schiff base ligand: Synthesis, structure, magnetic properties, antioxidant and anti-Alzheimer activities","Inorganica Chimica Acta","2020","507","","119519","","10.1016/j.ica.2020.119519","","","0.71073","MoKα","","0.0493","0.0322","","","0.0792","0.0876","","","","","","1.051","","","","has coordinates","269152","2021-09-15","08:56:22",""
"1564652","9.0301","0.0018","14.053","0.002","18.12","0.005","90","","103.42","0.005","90","","2236.6","0.8","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl3 N3 O Pt -","- C21 H24 Cl3 N3 O Pt -","- C84 H96 Cl12 N12 O4 Pt4 -","4","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0636","0.0389","","","0.0764","0.0828","","","","","","1.082","","","","has coordinates","269153","2021-09-15","09:06:24",""
"1564653","10.06","0.003","13.867","0.004","17.107","0.004","70.008","0.009","73.995","0.013","80.317","0.015","2148.5","1","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N4 O6 Pt -","- C20 H26 N4 O6 Pt -","- C80 H104 N16 O24 Pt4 -","4","2","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0816","0.0431","","","0.0686","0.077","","","","","","1.015","","","","has coordinates,has disorder","269153","2021-09-15","09:06:35",""
"1564654","8.289","0.003","10.718","0.004","12.644","0.004","100.86","0.011","106.344","0.016","108.412","0.01","974.2","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 N3 O Pt -","- C20 H21 Cl2 N3 O Pt -","- C40 H42 Cl4 N6 O2 Pt2 -","2","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0523","0.0374","","","0.0764","0.0809","","","","","","1.011","","","","has coordinates","269153","2021-09-15","09:06:40",""
"1564655","10.9331","0.0019","20.468","0.004","11.961","0.002","90","","107.866","0.01","90","","2547.5","0.8","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N3 O4 Pt -","- C20 H26 Cl0.999 N3 O4 Pt -","- C80 H104 Cl3.996 N12 O16 Pt4 -","4","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0569","0.035","","","0.0794","0.0868","","","","","","1.031","","","","has coordinates,has disorder","269153","2021-09-15","09:06:44",""
"1564656","10.6","0.003","10.954","0.002","11.714","0.003","96.462","0.01","99.179","0.01","103.836","0.012","1287.6","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H27 Cl2 N3 O5 Pt -","- C20 H27 Cl2 N3 O5 Pt -","- C40 H54 Cl4 N6 O10 Pt2 -","2","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0505","0.0366","","","0.0809","0.0852","","","","","","1.008","","","","has coordinates","269153","2021-09-15","09:06:46",""
"1564657","8.169","0.004","9.244","0.004","15.374","0.006","90.697","0.014","104.852","0.019","91.425","0.018","1121.6","0.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl N4 O4 Pt -","- C20 H21 Cl N4 O4 Pt -","- C40 H42 Cl2 N8 O8 Pt2 -","2","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0805","0.0471","","","0.076","0.0847","","","","","","0.962","","","","has coordinates,has disorder","269153","2021-09-15","09:06:50",""
"1564725","18.5347","0.0013","7.4472","0.0005","17.8595","0.0012","90","","118.671","0.003","90","","2162.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl Ir N5 -","- C21 H27 Cl Ir N5 -","- C84 H108 Cl4 Ir4 N20 -","4","1","","Medrano-Castillo, Layla J.; Collazo-Flores, Miguel Á.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Chávez, Daniel; Grotjahn, Douglas B.; Rheingold, Arnold L.; Miranda-Soto, Valentín; Parra-Hake, Miguel","Base-free transfer hydrogenation of aryl-ketones, alkyl-ketones and alkenones catalyzed by an IrIIICp* complex bearing a triazenide ligand functionalized with pyrazole","Inorganica Chimica Acta","2020","507","","119551","","10.1016/j.ica.2020.119551","","","0.71073","MoKα","","0.0494","0.0319","","","0.0581","0.0627","","","","","","1.018","","","","has coordinates","269318","2021-09-27","08:51:22",""
"1564726","14.277","0.003","5.6216","0.0013","14.489","0.002","90","","106.847","0.006","90","","1113","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","1","","Medrano-Castillo, Layla J.; Collazo-Flores, Miguel Á.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Chávez, Daniel; Grotjahn, Douglas B.; Rheingold, Arnold L.; Miranda-Soto, Valentín; Parra-Hake, Miguel","Base-free transfer hydrogenation of aryl-ketones, alkyl-ketones and alkenones catalyzed by an IrIIICp* complex bearing a triazenide ligand functionalized with pyrazole","Inorganica Chimica Acta","2020","507","","119551","","10.1016/j.ica.2020.119551","","","0.71073","MoKα","","0.0769","0.0422","","","0.1019","0.1152","","","","","","1.027","","","","has coordinates","269318","2021-09-27","08:51:36",""
"1564727","12.3454","0.0005","12.4756","0.0005","22.0778","0.0009","80.395","0.002","89.953","0.002","60.944","0.001","2918","0.2","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 B10 Cl9 N0.5 O0.5 S -","- C38 H56 B10 Cl9 N3 O4 S -","- C76 H112 B20 Cl18 N6 O8 S2 -","2","1","","Kubasov, A.S.; Turishev, E.S.; Golubev, A.V.; Bykov, A.Yu.; Zhizhin, K.Yu.; Kuznetsov, N.T.","The method for synthesis of 2-sulfonium closo-decaborate anions derivatives with exo-polyhedral aminogroups","Inorganica Chimica Acta","2020","507","","119589","","10.1016/j.ica.2020.119589","","","0.71073","MoKα","","0.0958","0.0617","","","0.1825","0.2068","","","","","","1.045","","","","has coordinates","269320","2021-09-27","09:00:28",""
"1564728","20.087","0.006","14.334","0.004","18.695","0.005","90","","95.879","0.013","90","","5354","3","296","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 B10 N O2 P2 S -","- C57 H55 B10 N O2 P2 S -","- C228 H220 B40 N4 O8 P8 S4 -","4","1","","Kubasov, A.S.; Turishev, E.S.; Golubev, A.V.; Bykov, A.Yu.; Zhizhin, K.Yu.; Kuznetsov, N.T.","The method for synthesis of 2-sulfonium closo-decaborate anions derivatives with exo-polyhedral aminogroups","Inorganica Chimica Acta","2020","507","","119589","","10.1016/j.ica.2020.119589","","","0.71073","MoKα","","0.0762","0.0525","","","0.1423","0.1579","","","","","","1.025","","","","has coordinates","269321","2021-09-27","09:01:52",""
"1564729","14.9294","0.0012","17.0837","0.0011","20.114","0.0015","90","","111.673","0.003","90","","4767.4","0.6","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H61 B10 N3 O4 S -","- C35.9987 H60.9972 B10 N3 O4 S -","- C143.995 H243.989 B40 N12 O16 S4 -","4","1","","Kubasov, A.S.; Turishev, E.S.; Golubev, A.V.; Bykov, A.Yu.; Zhizhin, K.Yu.; Kuznetsov, N.T.","The method for synthesis of 2-sulfonium closo-decaborate anions derivatives with exo-polyhedral aminogroups","Inorganica Chimica Acta","2020","507","","119589","","10.1016/j.ica.2020.119589","","","0.71073","MoKα","","0.23","0.113","","","0.2983","0.3731","","","","","","0.966","","","","has coordinates,has disorder","269322","2021-09-27","09:05:01",""
"1564741","26.489","0.003","7.2195","0.0007","6.2098","0.0006","90","","93.279","0.005","90","","1185.6","0.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C62 H46 N2 O6 -","2","1","","Mohite, S.S.; Patil-Deshmukh, A.B.; Chavan, S.S.","Ru(III)-pseudohalide complexes with alkynyl functionalized salicylaldimine ligand and heterocyclic coligand: Synthesis, characterization, electrochemical and luminescence properties","Inorganica Chimica Acta","2020","507","","119586","","10.1016/j.ica.2020.119586","","","1.54178","CuKα","","0.122","0.0732","","","0.1781","0.2045","","","","","","1.023","","","","has coordinates","269363","2021-09-29","07:42:39",""
"1564742","10.1362","0.0008","14.394","0.0012","21.3439","0.0016","90","","101.155","0.001","90","","3055.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N3 Ni O P2 S2 -","- C32 H29 N3 Ni O P2 S2 -","- C128 H116 N12 Ni4 O4 P8 S8 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","0.71073","MoKα","","0.0371","0.0281","","","0.0729","0.0766","","","","","","1.076","","","","has coordinates","269364","2021-09-29","07:47:39",""
"1564743","9.18441","0.00013","17.6653","0.0002","19.7935","0.0003","90","","103.427","0.0014","90","","3123.62","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N3 Ni P2 S3 -","- C32 H29 N3 Ni P2 S3 -","- C128 H116 N12 Ni4 P8 S12 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0465","0.0416","","","0.1107","0.1164","","","","","","1.018","","","","has coordinates","269364","2021-09-29","07:47:40",""
"1564744","11.8811","0.0005","12.9777","0.0003","21.7852","0.0006","90","","90","","90","","3359.05","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 N3 Ni P2 S2 -","- C36 H29 N3 Ni P2 S2 -","- C144 H116 N12 Ni4 P8 S8 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0543","0.0489","","","0.1261","0.1338","","","","","","1.035","","","","has coordinates","269364","2021-09-29","07:47:40",""
"1564745","9.3437","0.0001","18.2134","0.0002","18.7553","0.0003","90","","103.184","0.002","90","","3107.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N3 Ni P2 S2 -","- C33 H31 N3 Ni P2 S2 -","- C132 H124 N12 Ni4 P8 S8 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0518","0.0457","","","0.1198","0.1271","","","","","","1.037","","","","has coordinates","269364","2021-09-29","07:47:40",""
"1564746","9.1889","0.0003","16.3025","0.0006","24.4743","0.0009","90","","90.12","","90","","3666.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H60 Cl6 N6 Ni2 P4 S4 -","- C73 H60 Cl6 N6 Ni2 P4 S4 -","- C146 H120 Cl12 N12 Ni4 P8 S8 -","2","0.5","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0748","0.065","","","0.1729","0.1859","","","","","","1.05","","","","has coordinates,has disorder","269364","2021-09-29","07:47:40",""
"1564747","7.1495","0.0003","41.6834","0.0016","9.7013","0.0004","90","","102.418","0.001","90","","2823.5","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 F5 Ir N4 O2 S -","- C29 H27 F5 Ir N4 O2 S -","- C116 H108 F20 Ir4 N16 O8 S4 -","4","1","","Eslava-Gonzalez, Itzel; Valdés, Hugo; Teresa Ramírez-Apan, María; Hernandez-Ortega, Simón; Rosario Zermeño-Ortega, Miriam; Avila-Sorrosa, Alcives; Morales-Morales, David","Synthesis of theophylline-based iridium(I) N-heterocyclic carbene complexes including fluorinated-thiophenolate ligands. Preliminary evaluation of their in vitro anticancer activity","Inorganica Chimica Acta","2020","507","","119588","","10.1016/j.ica.2020.119588","","","0.71073","MoKα","","0.0406","0.0357","","","0.0718","0.0732","","","","","","1.258","","","","has coordinates","269365","2021-09-29","07:52:43",""
"1564748","7.3026","0.0004","9.4501","0.0005","20.9232","0.001","78.7458","0.0014","86.3229","0.0014","77.6856","0.0014","1383.19","0.12","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 F4 Ir N4 O2 S -","- C29 H28 F4 Ir N4 O2 S -","- C58 H56 F8 Ir2 N8 O4 S2 -","2","1","","Eslava-Gonzalez, Itzel; Valdés, Hugo; Teresa Ramírez-Apan, María; Hernandez-Ortega, Simón; Rosario Zermeño-Ortega, Miriam; Avila-Sorrosa, Alcives; Morales-Morales, David","Synthesis of theophylline-based iridium(I) N-heterocyclic carbene complexes including fluorinated-thiophenolate ligands. Preliminary evaluation of their in vitro anticancer activity","Inorganica Chimica Acta","2020","507","","119588","","10.1016/j.ica.2020.119588","","","0.71073","MoKα","","0.0358","0.0306","","","0.0619","0.0648","","","","","","1.172","","","","has coordinates","269366","2021-09-29","07:53:45",""
"1564749","10.797","0.002","12.891","0.003","13.362","0.003","69.9","0.03","71.01","0.03","79.98","0.03","1647.4","0.7","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H18 Cl Dy F6 N2 O5 S2 -","- C32 H12 Cl Dy F6 N2 O5 S2 -","- C64 H24 Cl2 Dy2 F12 N4 O10 S4 -","2","1","","Ling Hou, Yin; Yang, Ting-Ting; Zhao, Wen-Xin; Fan, Chen-Juan; Yan, Li-Li; Guan, Xiao-Fen; Ji, Jia; Wang, Wen-Min","Modulating SMM behaviors in phenoxo-O bridged Dy2 compounds via different β-diketonate","Inorganica Chimica Acta","2020","507","","119595","","10.1016/j.ica.2020.119595","","","0.71073","MoKα","","0.0574","0.0506","","","0.122","0.1275","","","","","","1.05","","","","has coordinates,has disorder","269367","2021-09-29","08:07:26",""
"1564750","11.126","0.002","23.786","0.005","15.314","0.003","90","","101.15","0.03","90","","3976.2","1.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H70 Cl4 Dy2 N4 O11 -","- C94 H64 Cl4 Dy2 N4 O11 -","- C188 H128 Cl8 Dy4 N8 O22 -","2","0.5","","Ling Hou, Yin; Yang, Ting-Ting; Zhao, Wen-Xin; Fan, Chen-Juan; Yan, Li-Li; Guan, Xiao-Fen; Ji, Jia; Wang, Wen-Min","Modulating SMM behaviors in phenoxo-O bridged Dy2 compounds via different β-diketonate","Inorganica Chimica Acta","2020","507","","119595","","10.1016/j.ica.2020.119595","","","0.71073","MoKα","","0.043","0.0341","","","0.0834","0.0921","","","","","","1.103","","","","has coordinates,has disorder","269367","2021-09-29","08:07:27",""
"1564751","10.7277","0.0004","16.5367","0.0005","12.4359","0.0005","90","","109.775","0.004","90","","2076.04","0.14","298.19","0.1","298.19","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N2 O9 Zn -","- C18 H25 N2 O9 Zn -","- C72 H100 N8 O36 Zn4 -","4","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","x-ray","0.71073","MoKα","","0.054","0.0397","","","0.1049","0.112","","","","","","1.026","","","","has coordinates","269368","2021-09-29","08:17:03",""
"1564752","11.1133","0.0001","11.5859","0.0002","20.9081","0.0003","96.936","0.001","90.563","0.001","107.537","0.001","2545.13","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H60 Fe2 N6 O16 -","- C49 H60 Fe2 N6 O16 -","- C98 H120 Fe4 N12 O32 -","2","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","","0.71073","MoKα","","0.0451","0.0384","","","0.0817","0.0841","","","","","","1.08","","","","has coordinates,has disorder","269368","2021-09-29","08:17:04",""
"1564753","10.5548","0.0004","16.5762","0.0005","12.2879","0.0005","90","","109.242","0.004","90","","2029.77","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N2 O9 Zn -","- C18 H25 N2 O9 Zn -","- C72 H100 N8 O36 Zn4 -","4","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","","0.71073","MoKα","","0.0477","0.0308","","","0.0701","0.0777","","","","","","1.062","","","","has coordinates","269368","2021-09-29","08:17:04",""
"1564754","7.3286","0.0002","9.3775","0.0003","13.3478","0.0004","103.527","0.003","102.627","0.002","100.436","0.003","843.81","0.05","298.46","0.1","298.46","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N2 Ni O5 -","- C18 H17 N2 Ni O5 -","- C36 H34 N4 Ni2 O10 -","2","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","x-ray","0.71073","MoKα","","0.0335","0.0292","","","0.0732","0.075","","","","","","1.069","","","","has coordinates","269368","2021-09-29","08:17:04",""
"1564755","35.6022","0.001","10.8915","0.0003","20.6144","0.0005","90","","113.248","0.002","90","","7344.4","0.4","298.33","0.1","298.33","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 N4 O10 -","- C36 H33.5 Cu2 N4 O9.75 -","- C288 H268 Cu16 N32 O78 -","8","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","x-ray","0.71073","MoKα","","0.054","0.037","","","0.103","0.11","","","","","","1.009","","","","has coordinates","269368","2021-09-29","08:17:04",""
"1564756","13.0557","0.0011","7.4003","0.0006","13.5518","0.0012","90","","103.19","0.003","90","","1274.78","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C52 H44 Co4 N4 O24 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0249","0.022","","","0.0591","0.0613","","","","","","1.065","","","","has coordinates","269369","2021-09-29","08:25:42",""
"1564757","12.984","0.0003","7.3739","0.0002","13.4907","0.0003","90","","103.26","0.001","90","","1257.2","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C52 H44 N4 Ni4 O24 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0409","0.0275","","","0.0598","0.066","","","","","","1.041","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564758","12.9811","0.0007","7.4222","0.0004","13.6782","0.0008","90","","102.93","0.002","90","","1284.46","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C52 H44 N4 O24 Zn4 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0392","0.0267","","","0.0616","0.0678","","","","","","1.006","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564759","8.3002","0.0006","23.3365","0.0019","7.1702","0.0005","90","","113.14","0.002","90","","1277.11","0.17","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C52 H44 Cd4 N4 O24 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0341","0.0261","","","0.0467","0.0494","","","","","","0.976","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564760","15.843","0.0005","7.0413","0.0002","9.6893","0.0003","90","","91.159","0.001","90","","1080.67","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cd N2 O8 -","- C26 H16 Cd N2 O8 -","- C52 H32 Cd2 N4 O16 -","2","0.5","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0375","0.0281","","","0.0594","0.0667","","","","","","1.188","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564761","17.0629","0.0008","7.076","0.0003","8.9028","0.0003","90","","92.509","0.002","90","","1073.87","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Mn N2 O8 -","- C26 H16 Mn N2 O8 -","- C52 H32 Mn2 N4 O16 -","2","0.5","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0417","0.0303","","","0.0684","0.0749","","","","","","1.035","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564762","5.0488","0.0001","7.0315","0.0002","15.7214","0.0005","90.55","0.001","97.649","0.001","106.136","0.001","530.73","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cu N2 O8 -","- C26 H16 Cu N2 O8 -","- C26 H16 Cu N2 O8 -","1","0.5","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0253","0.0241","","","0.0644","0.0651","","","","","","1.085","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564763","14.5957","0.0014","6.6122","0.0007","13.3528","0.0015","90","","113.321","0.004","90","","1183.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 Pb -","- C13 H9 N O5 Pb -","- C52 H36 N4 O20 Pb4 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0228","0.0162","","","0.0329","0.0351","","","","","","1.01","","","","has coordinates","269369","2021-09-29","08:25:44",""
"1564832","11.2146","0.0004","11.2687","0.0004","12.4625","0.0004","108.619","0.003","97.149","0.003","116.991","0.004","1260.47","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H32 Mn N Na4 O22 P3 -","- C3 H32 Mn N Na4 O22 P3 -","- C6 H64 Mn2 N2 Na8 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Shumilova, M.A.; Zhirov, D.K.","Tetra-sodium Nitrilo-tris(methylenephosphonato)-manganate(II) Na4[MnII{N(CH2PO3)3}] 13H2O: Synthesis and Some Structural Features","Crystallography Reports","2020","65","2","233","241","10.1134/S1063774520020224","","x-ray","0.71073","MoKα","","0.0368","0.0288","","","0.0703","0.0747","","","","","","1.036","","","","has coordinates","269587","2021-10-05","10:48:40",""
"1564833","10.0096","0.0002","11.033","0.0002","12.2893","0.0002","84.718","0.001","79.544","0.002","67.058","0.002","1228.73","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H32 Cu N Na4 O22 P3 -","- C3 H32 Cu N Na4 O22 P3 -","- C6 H64 Cu2 N2 Na8 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0257","0.0235","","","0.0719","0.0734","","","","","","0.985","","","","has coordinates","269588","2021-10-05","10:48:51",""
"1564834","10.0266","0.0003","11.0676","0.0004","12.3608","0.0003","84.999","0.002","79.582","0.002","67.001","0.003","1241.63","0.07","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C3 H32 Cu0.54 N Na4 Ni0.46 O22 P3 -","- C3 H32 Cu0.546 N Na4 Ni0.454 O22 P3 -","- C6 H64 Cu1.092 N2 Na8 Ni0.908 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0216","0.0203","","","0.0536","0.0542","","","","","","1.107","","","","has coordinates,has disorder","269589","2021-10-05","10:49:03",""
"1564835","10.0118","0.0002","11.0311","0.0003","12.3038","0.0003","84.785","0.002","79.504","0.002","66.971","0.002","1229.34","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C3 H32 Cu0.23 N Na4 Ni0.77 O22 P3 -","- C3 H32 Cu0.2263 N Na4 Ni0.7737 O22 P3 -","- C6 H64 Cu0.4526 N2 Na8 Ni1.5474 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0315","0.025","","","0.0584","0.0606","","","","","","1.013","","","","has coordinates,has disorder","269590","2021-10-05","10:49:16",""
"1564836","12.0625","0.0003","18.7047","0.0004","21.1297","0.0006","90","","104.464","0.003","90","","4616.3","0.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C3 H30 Cu0.55 N Na4 Ni0.45 O21 P3 -","- C3 H30 Cu0.547 N Na4 Ni0.453 O21 P3 -","- C24 H240 Cu4.376 N8 Na32 Ni3.624 O168 P24 -","8","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0636","0.0426","","","0.0838","0.091","","","","","","1.077","","","","has coordinates","269591","2021-10-05","10:49:30",""
"1564854","12.7841","0.0008","16.8747","0.0011","14.8528","0.0009","90","","90.914","0.001","90","","3203.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H34 N6 O23 Sm2 -","- C15 H34 N6 O23 Sm2 -","- C60 H136 N24 O92 Sm8 -","4","0.5","","Zhang, Nan; Li, Bing; Wang, Xuemeng; Liu, Dongqi; Han, Xue; Bai, Fengying; Xing, Yongheng","High-efficiency fluorescent probe constructed by triazine polycarboxylic acid for detecting nitro compounds","Inorganica Chimica Acta","2020","507","","119591","","10.1016/j.ica.2020.119591","","","0.71073","MoKα","","0.0578","0.0394","","","0.1069","0.1169","","","","","","1.087","","","","has coordinates","269819","2021-10-07","07:14:11",""
"1564855","13.859","0.002","13.042","0.002","8.2384","0.0013","90","","90","","90","","1489.1","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H21 N3 O3 W -","- C12 H18 N3 O3 W -","- C48 H72 N12 O12 W4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0504","0.0389","","","0.0917","0.0976","","","","","","0.868","","","","has coordinates","269820","2021-10-07","07:20:24",""
"1564856","13.931","0.006","13.025","0.006","8.356","0.004","90","","90","","90","","1516.2","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H21 Mo N3 O3 -","- C12 H21 Mo N3 O3 -","- C48 H84 Mo4 N12 O12 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.222","0.0401","","","0.1204","0.1736","","","","","","1.227","","","","has coordinates","269821","2021-10-07","07:21:30",""
"1564857","9.0072","0.0019","8.8123","0.0018","12.495","0.003","90","","90","","90","","991.8","0.4","296","2","296","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C12 H21 F6 I N3 O3 P W -","- C12 H18 F6 I N3 O3 P W -","- C24 H36 F12 I2 N6 O6 P2 W2 -","2","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0493","0.0455","","","0.1051","0.1078","","","","","","0.901","","","","has coordinates","269822","2021-10-07","07:22:41",""
"1564858","7.2769","0.0012","14.884","0.003","16.441","0.003","90","","90","","90","","1780.7","0.6","296","2","296","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C9 H21 Cl2 F6 Mo N3 O P -","- C9 H18 Cl2 F6 Mo N3 O P -","- C36 H72 Cl8 F24 Mo4 N12 O4 P4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0856","0.0693","","","0.2073","0.2321","","","","","","1.107","","","","has coordinates","269823","2021-10-07","07:23:49",""
"1564859","9.036","0.005","13.639","0.007","27.171","0.013","90","","90","","90","","3349","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 N3 O7 W -","- C9 H29 N3 O7 W -","- C72 H232 N24 O56 W8 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0351","0.026","","","0.0569","0.0607","","","","","","1.006","","","","has coordinates","269824","2021-10-07","07:25:05",""
"1564860","9.0217","0.0011","13.6776","0.0016","27.105","0.003","90","","90","","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 Mo N3 O7 -","- C9 H29 Mo N3 O7 -","- C72 H232 Mo8 N24 O56 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0426","0.0337","","","0.0821","0.0895","","","","","","1.042","","","","has coordinates","269825","2021-10-07","07:26:06",""
"1564861","8.4175","0.0009","10.2748","0.0012","14.4639","0.0016","69.8019","0.0012","88.2229","0.0013","77.6266","0.0012","1145.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H31 I N4 O4 S2 W -","- C14 H31 I N4 O4 S2 W -","- C28 H62 I2 N8 O8 S4 W2 -","2","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0368","0.0322","","","0.076","0.0792","","","","","","1.047","","","","has coordinates","269826","2021-10-07","07:27:49",""
"1564862","7.795","0.003","23.024","0.008","12.557","0.004","90","","91.546","0.004","90","","2252.8","1.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 F6 Mo N4 O2 P S2 -","- C14 H27 F6 Mo N4 O2 P S2 -","- C56 H108 F24 Mo4 N16 O8 P4 S8 -","4","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.1279","0.0684","","","0.172","0.2077","","","","","","1.004","","","","has coordinates","269827","2021-10-07","07:29:03",""
"1564863","25.6","0.003","15.458","0.002","13.864","0.0018","90","","107.595","0.0016","90","","5229.7","1.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H37 I N4 O3 S2 W -","- C18 H35 I N4 O3 S2 W -","- C144 H280 I8 N32 O24 S16 W8 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0635","0.0486","","","0.1496","0.1599","","","","","","1.028","","","","has coordinates","269828","2021-10-07","07:30:15",""
"1564864","15.0891","0.0018","12.2698","0.0014","15.2625","0.0018","90","","111.29","0.002","90","","2632.9","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 F6 Mo N4 O2 P S2 -","- C18 H35 F6 Mo N4 O2 P S2 -","- C72 H140 F24 Mo4 N16 O8 P4 S8 -","4","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.1769","0.1203","","","0.3343","0.3851","","","","","","1.242","","","","has coordinates","269829","2021-10-07","07:31:27",""
"1564865","13.662","0.002","15.028","0.003","14.197","0.002","90","","110.651","0.002","90","","2727.5","0.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 F6 Mo N4 O2 P S2 -","- C18 H35 F6 Mo N4 O2 P S2 -","- C72 H140 F24 Mo4 N16 O8 P4 S8 -","4","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0718","0.0571","","","0.1764","0.1919","","","","","","1.306","","","","has coordinates","269830","2021-10-07","07:32:20",""
"1564866","8.1388","0.0017","8.8099","0.0018","13.625","0.003","93.464","0.002","104.352","0.002","91.593","0.002","943.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H50 F12 Mo2 N8 O5 P2 -","- C22 H50 F12 Mo2 N8 O5 P2 -","- C22 H50 F12 Mo2 N8 O5 P2 -","1","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0521","0.0459","","","0.1419","0.1518","","","","","","1.127","","","","has coordinates","269831","2021-10-07","07:33:24",""
"1564867","12.066","0.003","10.388","0.003","10.613","0.003","90","","90","","90","","1330.3","0.6","296","2","296","2","","","","","","","","6","A e m 2","A 2 -2b","39","","","","- C9 H21 Mo N3 O2 S -","- C9 H21 Mo N3 O2 S -","- C36 H84 Mo4 N12 O8 S4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.022","0.0217","","","0.0541","0.0544","","","","","","1.102","","","","has coordinates","269832","2021-10-07","07:34:23",""
"1564868","8.673","0.016","8.673","0.016","36.26","0.07","90","","90","","120","","2362","8","296","2","296","2","","","","","","","","6","P 61","P 61","169","","","","- C9 H21 Mo N3 O S4 -","- C9 H21 Mo N3 O S4 -","- C54 H126 Mo6 N18 O6 S24 -","6","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.1045","0.0594","","","0.1432","0.1737","","","","","","0.939","","","","has coordinates","269833","2021-10-07","07:35:26",""
"1564869","11.6762","0.0007","8.0358","0.0004","15.1245","0.0009","90","","111.631","0.006","90","","1319.16","0.14","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 Cd N10 O8 -","- C24 H24 Cd N10 O8 -","- C48 H48 Cd2 N20 O16 -","2","0.5","","Zhang, Hong-Bin; Zhang, Xiao-Fang; Chai, Lan-Qin; Tang, Li-Jian; Zhang, Hong-Song","Zinc(II) and Cadmium(II) complexes containing imidazole ring: Structural, spectroscopic, antibacterial, DFT calculations and Hirshfeld surface analysis","Inorganica Chimica Acta","2020","507","","119610","","10.1016/j.ica.2020.119610","","","0.71073","MoKα","","0.0469","0.04","","","0.0946","0.1016","","","","","","1.046","","","","has coordinates","269834","2021-10-07","07:40:49",""
"1564870","9.1318","0.0007","17.792","0.0017","10.1461","0.0008","90","","104.34","0.008","90","","1597.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N10 O10 Zn -","- C26 H32 N10 O10 Zn -","- C52 H64 N20 O20 Zn2 -","2","0.5","","Zhang, Hong-Bin; Zhang, Xiao-Fang; Chai, Lan-Qin; Tang, Li-Jian; Zhang, Hong-Song","Zinc(II) and Cadmium(II) complexes containing imidazole ring: Structural, spectroscopic, antibacterial, DFT calculations and Hirshfeld surface analysis","Inorganica Chimica Acta","2020","507","","119610","","10.1016/j.ica.2020.119610","","","0.71073","MoKα","","0.0781","0.0483","","","0.1027","0.1222","","","","","","1.044","","","","has coordinates","269834","2021-10-07","07:40:50",""
"1564871","8.1246","0.0016","13.74","0.003","17.365","0.003","71.02","0.03","82.53","0.03","80.15","0.03","1800.3","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.1228","0.074","","","0.1778","0.2101","","","","","","0.999","","","","has coordinates","269835","2021-10-07","07:52:33",""
"1564872","12.351","0.003","23.881","0.005","15.407","0.006","90","","126.76","0.02","90","","3641","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C100 H128 Cl16 F24 N8 O32 P4 Sm4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.1374","0.067","","","0.1724","0.2071","","","","","","0.955","","","","has coordinates","269836","2021-10-07","07:54:01",""
"1564873","8.1076","0.0016","13.744","0.003","17.225","0.003","70.59","0.03","82.28","0.03","80.23","0.03","1777.8","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.0794","0.0555","","","0.1472","0.1716","","","","","","1.004","","","","has coordinates","269837","2021-10-07","07:55:32",""
"1564874","12.2665","0.0008","23.2104","0.0016","15.2805","0.0008","90","","126.165","0.004","90","","3512.3","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C100 H128 Cl16 F24 Gd4 N8 O32 P4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.0885","0.0534","","","0.1196","0.1334","","","","","","1.08","","","","has coordinates","269838","2021-10-07","07:56:38",""
"1564875","8.0876","0.0016","13.981","0.003","17.126","0.003","70.44","0.03","81.52","0.03","79.34","0.03","1785.6","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.0659","0.0532","","","0.147","0.1607","","","","","","1.066","","","","has coordinates","269839","2021-10-07","07:58:14",""
"1564876","22.0467","0.0019","15.6792","0.0013","12.9306","0.0011","90","","99.403","0.002","90","","4409.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H53 N7 O3 Ru -","- C40 H53 N7 O3 Ru -","- C160 H212 N28 O12 Ru4 -","4","0.5","","Xu, Nan; Bevak, Alexander; Roesch, Joseph; Armstrong, Bernadette; Abucayon, Erwin; Bell, Zachary; Powell, Douglas R.; Richter-Addo, George B.","Unusual monodentate binding of a C-NONOate ligand in the nitrosyl complex (OEP)Ru(NO)(η1-ONN(t-Bu)O)","Inorganica Chimica Acta","2020","507","","119567","","10.1016/j.ica.2020.119567","","","0.71073","MoKα","","0.0741","0.0556","","","0.1205","0.1302","","","","","","1.003","","","","has coordinates","269840","2021-10-07","08:02:29",""
"1564877","14.4704","0.0017","15.7849","0.0017","8.3677","0.001","90","","94.269","0.004","90","","1906","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B2 Cu2 F8 N12 S6 -","- C24 H36 B2 Cu2 F8 N12 S6 -","- C48 H72 B4 Cu4 F16 N24 S12 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0242","0.0216","","","0.0593","0.0608","","","","","","1.109","","","","has coordinates","269841","2021-10-07","08:21:49",""
"1564878","8.6291","0.0009","13.5838","0.0016","10.3684","0.0011","90","","100.436","0.004","90","","1195.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N10 O8 S2 -","- C16 H24 Cu N10 O8 S2 -","- C32 H48 Cu2 N20 O16 S4 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0293","0.0253","","","0.0592","0.0609","","","","","","1.074","","","","has coordinates","269842","2021-10-07","08:24:28",""
"1564879","8.3452","0.0004","8.4167","0.0005","20.3354","0.0012","90","","99.568","0.002","90","","1408.47","0.14","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cu N8 O10 S4 -","- C18 H30 Cu N8 O10 S4 -","- C36 H60 Cu2 N16 O20 S8 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0431","0.0346","","","0.0825","0.086","","","","","","1.065","","","","has coordinates","269843","2021-10-07","08:26:04",""
"1564880","8.0915","0.0004","8.6847","0.0005","9.5541","0.0005","84.5081","0.0019","87.577","0.0019","89.586","0.002","667.71","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H26 Cu N8 O10 S4 -","- C16 H26 Cu N8 O10 S4 -","- C16 H26 Cu N8 O10 S4 -","1","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0354","0.0292","","","0.0861","0.1006","","","","","","1.16","","","","has coordinates","269844","2021-10-07","08:27:33",""
"1564881","8.6675","0.0013","12.442","0.002","13.658","0.002","70.8","0.005","79.904","0.005","78.593","0.005","1353.8","0.4","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 Cu N8 O10 S4 -","- C17 H28 Cu N8 O10 S4 -","- C34 H56 Cu2 N16 O20 S8 -","2","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0346","0.0289","","","0.0706","0.074","","","","","","1.024","","","","has coordinates,has disorder","269845","2021-10-07","08:28:47",""
"1564882","9.0467","0.0008","12.265","0.0011","13.2201","0.0012","72.176","0.003","81.14","0.003","74.481","0.003","1341.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Cu N8 O9 S4 -","- C18 H28 Cu N8 O9 S4 -","- C36 H56 Cu2 N16 O18 S8 -","2","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0396","0.0313","","","0.0828","0.092","","","","","","1.17","","","","has coordinates","269846","2021-10-07","08:31:40",""
"1564883","7.2792","0.0007","9.7671","0.0009","10.1282","0.0009","95.449","0.003","104.276","0.003","96.167","0.003","688.27","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cu N4 O5 S2 -","- C9 H14 Cu N4 O5 S2 -","- C18 H28 Cu2 N8 O10 S4 -","2","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0337","0.0266","","","0.0886","0.1019","","","","","","1.164","","","","has coordinates","269847","2021-10-07","08:32:58",""
"1564884","12.4725","0.0004","9.4873","0.0003","15.3776","0.0005","90","","96.348","0.001","90","","1808.48","0.1","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C11 H19 Cu N4 O5.5 S3.5 -","- C11 H19 Cu N4 O5.5 S3.5 -","- C44 H76 Cu4 N16 O22 S14 -","4","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0528","0.0427","","","0.085","0.0896","","","","","","1.066","","","","has coordinates,has disorder","269848","2021-10-07","08:34:19",""
"1564885","12.6665","0.0007","12.41","0.0007","4.8699","0.0003","90","","99.2339","0.0017","90","","755.59","0.08","150","2","150","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C10 H13 Cu N5 O4 S2 -","- C10 H13 Cu N5 O4 S2 -","- C20 H26 Cu2 N10 O8 S4 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0402","0.0339","","","0.0583","0.0602","","","","","","0.966","","","","has coordinates,has disorder","269849","2021-10-07","08:35:35",""
"1564886","16.3614","0.0008","13.9033","0.0007","6.9472","0.0003","90","","98.539","0.002","90","","1562.81","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cu N5 O4 S2 -","- C8 H12 Cu N4 S2 -","- C32 H48 Cu4 N16 S8 -","4","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0309","0.0282","","","0.0696","0.0711","","","","","","1.027","","","","has coordinates","269850","2021-10-07","08:37:09",""
"1564887","6.4334","0.0004","30.109","0.002","9.1569","0.0007","90","","90","","90","","1773.7","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H12 Cu2 N8 O6 S3 -","- C9 H12 Cu2 N8 O6 S3 -","- C36 H48 Cu8 N32 O24 S12 -","4","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0471","0.0395","","","0.114","0.1312","","","","","","1.154","","","","has coordinates","269851","2021-10-07","08:38:31",""
"1564918","12.965","0.002","9.3876","0.0016","9.9875","0.0018","90","","107.985","0.007","90","","1156.2","0.3","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Fe N0 O7 P2 -","- C8 H11 Fe O7 P2 -","- C32 H44 Fe4 O28 P8 -","4","1","","Lopez, Valerie; Minichelli, Julian; Case, Derek; Ruhlandt, Karin; Doyle, Robert P.; Zubieta, Jon","Hydrothermal synthesis and structure of a two-dimensional Fe(III)-organodiphosphonate compound, [Fe(O3PCH2C6H4CH2PO3H)(H2O)], and an Expansion of the Harris Notation","Inorganica Chimica Acta","2020","506","","119518","","10.1016/j.ica.2020.119518","","","0.71073","MoKα","","0.1088","0.0533","","","0.1053","0.1252","","","","","","1.006","","","","has coordinates","269946","2021-10-14","08:48:52",""
"1564919","9.8757","0.0005","17.9045","0.0009","11.8419","0.0005","90","","106.545","0.002","90","","2007.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cd Mn O16 -","- C10 H24 Cd Mn O16 -","- C40 H96 Cd4 Mn4 O64 -","4","1","","Li, Zhong-Yi; Zhou, Xue-Qing; Zhang, Rong-Rong; Zhang, Xiang-Fei; Wu, Dong-Qing; Zhai, Bin","A new approach to prepare the Mn(II)-based magnetic refrigerant through incorporating diamagnetic Cd(II) ion","Inorganica Chimica Acta","2020","506","","119527","","10.1016/j.ica.2020.119527","","","0.71073","MoKα","","0.0305","0.0233","","","0.054","0.0571","","","","","","1.074","","","","has coordinates","269947","2021-10-14","09:15:34",""
"1564963","10.2173","0.0006","16.6676","0.0008","11.2467","0.0006","90","","111.514","0.007","90","","1781.85","0.19","289","0.8","289","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Co N6 O5 S -","- C16 H12 Co N6 O5 S -","- C64 H48 Co4 N24 O20 S4 -","4","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","x-ray","0.71073","MoKα","","0.0557","0.0449","","","0.1073","0.1139","","","","","","1.093","","","","has coordinates,has disorder","269987","2021-10-18","07:47:33",""
"1564964","9.9759","0.0004","13.6173","0.0005","15.68","0.0007","90","","102.235","0.004","90","","2081.67","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N6 O4 -","- C18 H12 Co N6 O4 -","- C72 H48 Co4 N24 O16 -","4","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","x-ray","0.71073","MoKα","","0.052","0.0399","","","0.0969","0.1036","","","","","","1.048","","","","has coordinates","269988","2021-10-18","07:48:52",""
"1564965","10.9102","0.0012","9.1746","0.0011","23.974","0.003","90","","99.402","0.004","90","","2367.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cu N6 O4 -","- C30 H18 Cu N6 O4 -","- C120 H72 Cu4 N24 O16 -","4","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","","0.71073","MoKα","","0.0569","0.0372","","","0.0889","0.0986","","","","","","1.037","","","","has coordinates,has disorder","269989","2021-10-18","07:50:48",""
"1564966","9.8545","0.0002","11.217","0.0001","19.5315","0.0004","86.084","0.001","75.619","0.002","89.875","0.001","2086.19","0.07","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H37 Mn N13 O8 -","- C44 H37 Mn N13 O8 -","- C88 H74 Mn2 N26 O16 -","2","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","x-ray","1.54184","CuKα","","0.0446","0.0429","","","0.1127","0.1141","","","","","","1.036","","","","has coordinates,has disorder","269990","2021-10-18","07:52:25",""
"1564967","38.1953","0.0009","38.1953","0.0009","10.8879","0.0003","90","","90","","120","","13756.1","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Cu2 N10 O5 -","- C26 H28 Cu2 N10 O5 -","- C468 H504 Cu36 N180 O90 -","18","1","","Jayaweera, Nuwanthaka P.; Hall, Ashley E.; Wilson, Ashton A.; Konkle, Mary E.; Wheeler, Kraig A.; Semeniuc, Radu F.","Tuning the catecholase activity of bis(pyrazolyl)methane-based copper(II) complexes by substitutions of the ligand core: unraveling a dual O2/H2O2 oxidation mechanism","Inorganica Chimica Acta","2020","506","","119507","","10.1016/j.ica.2020.119507","","","1.54178","CuKα","","0.0398","0.0356","","","0.093","0.0954","","","","","","1.047","","","","has coordinates,has disorder","269991","2021-10-18","08:19:25",""
"1564968","8.8989","0.0014","23.167","0.004","11.1057","0.0016","90","","101.824","0.005","90","","2241","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Fe I N2 Te -","- C22 H23 Fe I N2 Te -","- C88 H92 Fe4 I4 N8 Te4 -","4","1","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0853","0.0481","","","0.0859","0.0963","","","","","","1.111","","","","has coordinates","269992","2021-10-18","08:24:21",""
"1564969","38.635","0.002","7.5167","0.0004","11.6786","0.0006","90","","104.075","0.002","90","","3289.7","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Fe N2 Se2 -","- C16 H18 Fe N2 Se2 -","- C128 H144 Fe8 N16 Se16 -","8","2","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0477","0.038","","","0.0559","0.0596","","","","","","1.133","","","","has coordinates","269993","2021-10-18","08:25:54",""
"1564970","14.0188","0.0006","10.0612","0.0004","14.3661","0.0005","90","","97.348","0.001","90","","2009.64","0.14","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Fe N2 Se2 -","- C22 H22 Fe N2 Se2 -","- C88 H88 Fe4 N8 Se8 -","4","1","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0268","0.0228","","","0.048","0.0497","","","","","","1.045","","","","has coordinates","269994","2021-10-18","08:28:08",""
"1564971","19.149","0.0008","8.1857","0.0004","14.848","0.0005","90","","112.553","0.002","90","","2149.41","0.16","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl4 Fe N2 Pd Se -","- C17 H20 Cl4 Fe N2 Pd Se -","- C68 H80 Cl16 Fe4 N8 Pd4 Se4 -","4","1","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0746","0.0481","","","0.0778","0.0872","","","","","","1.183","","","","has coordinates,has disorder","269995","2021-10-18","08:30:12",""
"1564972","14.4995","0.0009","15.0132","0.0005","12.2077","0.0007","90","","98.782","0.006","90","","2626.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N7 Ni O13 -","- C19 H13 N7 Ni O13 -","- C76 H52 N28 Ni4 O52 -","4","0.5","","Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu","A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine","Inorganica Chimica Acta","2020","506","","119506","","10.1016/j.ica.2020.119506","","","0.71073","MoKα","","0.0892","0.069","","","0.2063","0.2313","","","","","","1","","","","has coordinates","269996","2021-10-18","08:35:22",""
"1564973","8.7983","0.0006","13.6714","0.0007","15.8434","0.0008","97.758","0.004","103.528","0.005","90.351","0.005","1834.49","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H52 N24 Ni2 O13 -","- C76 H52 N24 Ni2 O13 -","- C76 H52 N24 Ni2 O13 -","1","0.5","","Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu","A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine","Inorganica Chimica Acta","2020","506","","119506","","10.1016/j.ica.2020.119506","","","0.71073","MoKα","","0.0835","0.067","","","0.1835","0.1985","","","","","","1.003","","","","has coordinates,has disorder","269996","2021-10-18","08:35:32",""
"1564974","8.8536","0.0009","13.6966","0.0014","15.8989","0.0016","98.402","0.003","103.957","0.003","90.379","0.003","1849.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Co N12 O6.5 -","- C38 H26 Co N12 O6.5 -","- C76 H52 Co2 N24 O13 -","2","1","","Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu","A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine","Inorganica Chimica Acta","2020","506","","119506","","10.1016/j.ica.2020.119506","","","0.71073","MoKα","","0.1036","0.0767","","","0.2223","0.2441","","","","","","1.004","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564975","10.2793","0.0003","19.5904","0.0004","9.6778","0.0003","90","","114.252","0.004","90","","1776.88","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cu N3 O5 -","- C18 H19 Cu N3 O5 -","- C72 H76 Cu4 N12 O20 -","4","1","","Hosseinzadeh Sanatkar, Tahereh; Khorshidi, Alireza; Sohouli, Esmail; Janczak, Jan","Synthesis, crystal structure, and characterization of two Cu(II) and Ni(II) complexes of a tetradentate N2O2 Schiff base ligand and their application in fabrication of a hydrazine electrochemical sensor","Inorganica Chimica Acta","2020","506","","119537","","10.1016/j.ica.2020.119537","","","0.71073","MoKα","","0.036","0.0274","","","0.0633","0.0673","","","","","","1","","","","has coordinates","269997","2021-10-18","08:50:45",""
"1564976","19.5243","0.0008","18.6443","0.0007","10.1928","0.0004","90","","102.048","0.003","90","","3628.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 Ni O5 -","- C16 H16 N2 Ni O5 -","- C128 H128 N16 Ni8 O40 -","8","1","","Hosseinzadeh Sanatkar, Tahereh; Khorshidi, Alireza; Sohouli, Esmail; Janczak, Jan","Synthesis, crystal structure, and characterization of two Cu(II) and Ni(II) complexes of a tetradentate N2O2 Schiff base ligand and their application in fabrication of a hydrazine electrochemical sensor","Inorganica Chimica Acta","2020","506","","119537","","10.1016/j.ica.2020.119537","","","0.71073","MoKα","","0.0538","0.0373","","","0.0875","0.0939","","","","","","1.029","","","","has coordinates","269998","2021-10-18","08:53:31",""
"1564977","25.3399","0.0006","25.3399","0.0006","9.075","0.0002","90","","90","","90","","5827.2","0.2","150","2","150","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 I2 N4 O7 Tb -","- C21 H8 Cu2 I2 N4 O7 Tb -","- C168 H64 Cu16 I16 N32 O56 Tb8 -","8","0.5","","Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min","Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks","Inorganica Chimica Acta","2020","506","","119536","","10.1016/j.ica.2020.119536","","","0.71073","MoKα","","0.0351","0.0346","","","0.095","0.0954","","","","","","1.038","","","","has coordinates,has disorder","269999","2021-10-18","09:23:54",""
"1564978","25.367","0.0004","25.367","0.0004","9.0667","0.0002","90","","90","","90","","5834.28","0.18","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 Dy I2 N4 O7 -","- C21 H8 Cu2 Dy I2 N4 O7 -","- C168 H64 Cu16 Dy8 I16 N32 O56 -","8","0.5","","Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min","Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks","Inorganica Chimica Acta","2020","506","","119536","","10.1016/j.ica.2020.119536","","","0.71073","MoKα","","0.0322","0.0294","","","0.0635","0.0647","","","","","","1.087","","","","has coordinates,has disorder","269999","2021-10-18","09:23:54",""
"1564979","10.1047","0.0003","11.8404","0.0003","17.8701","0.0005","82.507","0.001","84.785","0.001","71.395","0.001","2006.24","0.1","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H74 N6 Ni2 O27 Sm2 -","- C71 H74 N6 Ni2 O27 Sm2 -","- C71 H74 N6 Ni2 O27 Sm2 -","1","0.5","","Zhang, Lin-Wei; Zhang, Yu; Cui, Yong-Fan; Yu, Meng; Dong, Wen-Kui","Heterobimetallic [NiIILnIII] (Ln = Sm and Tb) N2O4-donor coordination polymers: Syntheses, crystal structures and fluorescence properties","Inorganica Chimica Acta","2020","506","","119534","","10.1016/j.ica.2020.119534","","","0.71073","MoKα","","0.0392","0.0297","","","0.0754","0.0796","","","","","","1.047","","","","has coordinates,has disorder","270000","2021-10-18","09:29:10",""
"1564980","10.8394","0.0003","18.5888","0.0004","17.8158","0.0004","90","","104.067","0.001","90","","3482.08","0.15","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N4 Ni O14 Tb -","- C31 H33 N4 Ni O14 Tb -","- C124 H132 N16 Ni4 O56 Tb4 -","4","1","","Zhang, Lin-Wei; Zhang, Yu; Cui, Yong-Fan; Yu, Meng; Dong, Wen-Kui","Heterobimetallic [NiIILnIII] (Ln = Sm and Tb) N2O4-donor coordination polymers: Syntheses, crystal structures and fluorescence properties","Inorganica Chimica Acta","2020","506","","119534","","10.1016/j.ica.2020.119534","","","0.71073","MoKα","","0.0568","0.033","","","0.0678","0.0765","","","","","","1.011","","","","has coordinates","270001","2021-10-18","09:31:57",""
"1564981","8.857","0.0006","30.6283","0.0019","10.2878","0.0006","90","","101.386","0.003","90","","2735.9","0.3","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O6 S2 -","- C28 H34 O6 S2 -","- C112 H136 O24 S8 -","4","1","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0415","0.0344","","","0.0902","0.0944","","","","","","1.005","","","","has coordinates,has disorder","270002","2021-10-18","09:44:17",""
"1564982","15.472","0.002","6.935","0.0008","26.808","0.003","90","","99.639","0.009","90","","2835.8","0.6","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 N2 O6 Zn -","- C30 H34 N2 O6 Zn -","- C120 H136 N8 O24 Zn4 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.032","0.0308","","","0.0783","0.0792","","","","","","1.004","","","","has coordinates","270003","2021-10-18","09:46:46",""
"1564983","19.848","0.002","19.49","0.002","17.98","0.002","90","","108.63","0.009","90","","6590.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 N4 O12 Zn2 -","- C68 H84 N4 O12 Zn2 -","- C272 H336 N16 O48 Zn8 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0935","0.0748","","","0.1945","0.2081","","","","","","1.005","","","","has coordinates,has disorder","270004","2021-10-18","09:48:00",""
"1564984","19.869","0.003","19.466","0.003","17.999","0.003","90","","108.867","0.01","90","","6587.4","1.8","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 Co2 N4 O12 -","- C68 H84 Co2 N4 O12 -","- C272 H336 Co8 N16 O48 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","1.54178","CuKα","","0.1241","0.0953","","","0.253","0.2731","","","","","","1.292","","","","has coordinates,has disorder","270005","2021-10-18","09:49:15",""
"1564985","22.4457","0.0014","19.4713","0.0005","19.1226","0.0014","90","","123.068","0.01","90","","7003.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 N6 O10 Zn2 -","- C76 H76 N6 O10 Zn2 -","- C304 H304 N24 O40 Zn8 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0656","0.044","","","0.1097","0.1239","","","","","","1.007","","","","has coordinates","270006","2021-10-18","09:50:28",""
"1564986","22.4745","0.0015","19.5176","0.001","19.0695","0.0014","90","","123.393","0.01","90","","6983.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 Co2 N6 O10 -","- C76 H76 Co2 N6 O10 -","- C304 H304 Co8 N24 O40 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.1252","0.0695","","","0.1805","0.2215","","","","","","1.008","","","","has coordinates","270007","2021-10-18","09:52:00",""
"1564987","29.387","0.002","25.383","0.002","13.953","0.001","90","","94.746","0.004","90","","10372.3","1.3","170","2","170","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C87 H72 N3 O12 Zn3 -","- C87 H72 N3 O12 Zn3 -","- C348 H288 N12 O48 Zn12 -","4","1","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0722","0.0603","","","0.1482","0.156","","","","","","1","","","","has coordinates","270008","2021-10-18","09:53:08",""
"1564988","19.7632","0.0013","19.5104","0.0009","18.4626","0.001","90","","108.323","0.006","90","","6758","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 N4 O12 Zn2 -","- C68 H84 N4 O12 Zn2 -","- C272 H336 N16 O48 Zn8 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.1048","0.0662","","","0.1656","0.193","","","","","","1.003","","","","has coordinates","270009","2021-10-18","09:56:10",""
"1565025","7.5661","0.0006","14.7316","0.0012","10.6122","0.0008","90","","92.024","0.004","90","","1182.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cl2 Cu2 N10 -","- C24 H16 Cl2 Cu2 N10 -","- C48 H32 Cl4 Cu4 N20 -","2","0.5","","Hammud, Hassan H.; Kortz, Ulrich; Bhattacharya, Saurav; Demirdjian, Sally; Hariri, Essa; Isber, Samih; Sang Choi, Eun; Mirtamizdoust, Babak; Mroueh, Mohamad; Daher, Costantine F.","Structure, DFT studies, magnetism and biological activity of bis[(µ-azido)-chloro-(1,10-phenanthroline)-copper(II)] complex","Inorganica Chimica Acta","2020","506","","119533","","10.1016/j.ica.2020.119533","","","0.71073","MoKα","","0.0434","0.0357","","","0.0904","0.0948","","","","","","1.063","","","","has coordinates","270053","2021-10-21","07:44:23",""
"1565026","22.3513","0.0011","20.4595","0.0011","20.4784","0.0011","90","","113.917","0.002","90","","8560.6","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Cl Co N9 O11 S -","- C43 H32 Cl Co N9 O11 S -","- C344 H256 Cl8 Co8 N72 O88 S8 -","8","1","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1406","0.0958","","","0.2395","0.2651","","","","","","1.064","","","","has coordinates,has disorder","270054","2021-10-21","07:56:23",""
"1565027","22.077","0.001","20.8561","0.0009","20.2911","0.001","90","","114.033","0.001","90","","8532.9","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H53 Cl5 N18 Ni2 O16 S2 -","- C87 H53 Cl5 N18 Ni2 O16 S2 -","- C348 H212 Cl20 N72 Ni8 O64 S8 -","4","0.5","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1001","0.065","","","0.1722","0.202","","","","","","1.029","","","","has coordinates,has disorder","270054","2021-10-21","07:56:26",""
"1565028","15.0777","0.0007","15.1926","0.0008","19.7389","0.0009","104.427","0.001","110.225","0.001","91.926","0.002","4073.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H32 Cl Cu N9 O11 S -","- C43 H32 Cl Cu N9 O11 S -","- C172 H128 Cl4 Cu4 N36 O44 S4 -","4","2","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.0971","0.051","","","0.1078","0.1252","","","","","","1.007","","","","has coordinates","270054","2021-10-21","07:56:27",""
"1565029","14.773","0.0012","17.2762","0.0013","20.161","0.0015","105.642","0.002","111.259","0.002","99.041","0.002","4427.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C166.5 H108.5 Cl7.5 Co4 N32 O31 S8 -","- C166.5 H108.5 Cl7.5 Co4 N32 O31 S8 -","- C166.5 H108.5 Cl7.5 Co4 N32 O31 S8 -","1","0.5","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1667","0.0888","","","0.22","0.2589","","","","","","1.021","","","","has coordinates,has disorder","270054","2021-10-21","07:56:28",""
"1565030","14.693","0.006","17.49","0.006","19.624","0.007","104.87","0.007","110.869","0.007","99.906","0.008","4356","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C83.2 H50.4 Cl2.4 N16 Ni2 O15 S4 -","- C83.2 H50.4 Cl2.4 N16 Ni2 O15 S4 -","- C166.4 H100.8 Cl4.8 N32 Ni4 O30 S8 -","2","1","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1774","0.0969","","","0.2355","0.2922","","","","","","1.034","","","","has coordinates,has disorder","270054","2021-10-21","07:56:28",""
"1565031","12.8207","0.0007","13.2099","0.0007","23.133","0.0012","90","","101.236","0.003","90","","3842.7","0.4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Cl2 Hg N5 O8 -","- C38 H47 Cl2 Hg N5 O8 -","- C152 H188 Cl8 Hg4 N20 O32 -","4","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","0.71073","MoKα","","0.1264","0.0697","","","0.1434","0.1722","","","","","","1.042","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565032","12.8274","0.0003","13.1823","0.0003","23.1202","0.0005","90","","101.326","0.001","90","","3833.37","0.15","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Cd Cl2 N5 O8 -","- C38 H47 Cd Cl2 N5 O8 -","- C152 H188 Cd4 Cl8 N20 O32 -","4","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","1.54178","CuKα","","0.0474","0.0435","","","0.1117","0.1142","","","","","","1.095","","","","has coordinates,has disorder","270055","2021-10-21","08:09:11",""
"1565033","17.8371","0.0008","16.1543","0.0008","22.5723","0.0011","90","","90","","90","","6504.1","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H45 Cl N4 O4 -","- C36 H45 Cl N4 O4 -","- C288 H360 Cl8 N32 O32 -","8","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","0.71073","MoKα","","0.0585","0.0393","","","0.0924","0.1056","","","","","","1.051","","","","has coordinates","270055","2021-10-21","08:09:13",""
"1565034","10.1622","0.0004","18.9273","0.0007","19.6809","0.0007","90","","91.106","0.002","90","","3784.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl2 N4 O8 Pb -","- C36 H44 Cl2 N4 O8 Pb -","- C144 H176 Cl8 N16 O32 Pb4 -","4","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","1.54178","CuKα","","0.0597","0.0465","","","0.0957","0.1013","","","","","","1.038","","","","has coordinates","270055","2021-10-21","08:09:13",""
"1565035","10.137","0.002","13.491","0.003","12.245","0.002","90","","98.48","0.03","90","","1656.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I N2 Pt S -","- C15 H17 I N2 Pt S -","- C60 H68 I4 N8 Pt4 S4 -","4","1","","Nabavizadeh, S. Masoud; Raoof, Fatemeh; Pakpour, Fatemeh; Shafiei Sarvestani, Laleh; Niknam, Fatemeh; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar","Facile activation of the C–I bond of primary alkyl halides by Pt(II) complexes having a benzothiazole ligand","Inorganica Chimica Acta","2020","506","","119535","","10.1016/j.ica.2020.119535","","","0.71073","MoKα","","0.073","0.0365","","","0.0769","0.0821","","","","","","0.743","","","","has coordinates","270056","2021-10-21","08:19:33",""
"1565036","6.2609","","4.8594","","8.4881","","90","","90","","90","","258.244","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium orthocarbonate","","","- C Ca2 O4 -","- C Ca2 O4 -","- C4 Ca8 O16 -","4","0.5","","D. Sagatova; A. Shatskiy; N. Sagatov; P.N. Gavryushkin; K.D. Litasov","Calcium orthocarbonate, Ca2CO4-Pnma: A potential host for subducting carbon in the transition zone and lower mantle","Lithos","2020","","","105637","","10.1016/j.lithos.2020.105637","","","","","","","","","","","","","","","","","","","","","has coordinates","270077","2021-10-25","10:09:08",""
"1565155","11.659","0.0004","12.5787","0.0004","14.107","0.0003","90.321","0.002","96.465","0.002","90.118","0.003","2055.67","0.11","99.97","0.11","99.97","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 Ir2 N4 S2 -","- C46 H54 Ir2 N4 S2 -","- C92 H108 Ir4 N8 S4 -","2","1","","Tang, Haiming; Saunders, Graham C.; Raymond, Onyekachi; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of organo-rhodium(III), -iridium(III) and -ruthenium(II)","Inorganica Chimica Acta","2020","506","","119545","","10.1016/j.ica.2020.119545","","x-ray","1.54184","CuKα","","0.0527","0.034","","","0.0758","0.0828","","","","","","1.0383","","","","has coordinates","270558","2021-11-10","09:30:58",""
"1565156","9.41539","0.00011","21.3926","0.0002","18.2604","0.0002","90","","101.762","0.0012","90","","3600.77","0.07","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Ir N2 P S -","- C43 H47 Ir N2 P S -","- C172 H188 Ir4 N8 P4 S4 -","4","1","","Tang, Haiming; Saunders, Graham C.; Raymond, Onyekachi; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of organo-rhodium(III), -iridium(III) and -ruthenium(II)","Inorganica Chimica Acta","2020","506","","119545","","10.1016/j.ica.2020.119545","","x-ray","1.54184","CuKα","","0.0338","0.0256","","","0.06","0.064","","","","","","1.0222","","","","has coordinates","270559","2021-11-10","09:33:03",""
"1565157","29.811","0.006","11.069","0.002","15.255","0.003","90","","108.427","0.004","90","","4775.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Co N4 O8 -","- C22 H24 Co N4 O8 -","- C176 H192 Co8 N32 O64 -","8","1","","Cheng, Xiaofei; Hu, Jinsong; Zhang, Jing","Structure of imidazolidyl Co(II) coordination polymer and catalytic properties of thermal conversion products","Inorganica Chimica Acta","2020","506","","119540","","10.1016/j.ica.2020.119540","","","0.71073","MoKα","","0.0759","0.0467","","","0.103","0.1083","","","","","","0.864","","","","has coordinates,has disorder","270560","2021-11-10","09:37:11",""
"1565158","9.8921","0.0006","14.3386","0.0006","16.9234","0.0011","90","","92.123","0.005","90","","2398.7","0.2","292","2","292","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl3 Cu N6 O3 S2 -","- C19 H15 Cl3 Cu N6 O3 S2 -","- C76 H60 Cl12 Cu4 N24 O12 S8 -","4","1","","Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Fadaei-Tirani, Farzaneh; Babaie, Maryam; Schenk-Joß, Kurt","Synthesis, Characterisation and Crystal structure of a New Cu(II)-carboxamide Complex and CuO nanoparticles as New Catalysts in the CuAAC reaction and Investigation of their Antibacterial activity","Inorganica Chimica Acta","2020","506","","119514","","10.1016/j.ica.2020.119514","","","0.71073","MoKα","","0.0968","0.0418","","","0.0842","0.1026","","","","","","0.898","","","","has coordinates,has disorder","270561","2021-11-10","09:43:44",""
"1565159","11.1617","0.0019","13.094","0.002","18.698","0.004","90","","99.661","0.007","90","","2694","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cl2 Hg N4 O2.5 -","- C22 H30 Cl2 Hg N4 O2 -","- C88 H120 Cl8 Hg4 N16 O8 -","4","1","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","","0.71073","MoKα","","0.08","0.0409","","","0.0719","0.0844","","","","","","1.011","","","","has coordinates","270562","2021-11-10","09:52:30",""
"1565160","9.503","0.0004","19.1113","0.0009","13.3218","0.0006","90","","96.203","0.002","90","","2405.27","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl4 N8 O4 Zn2 -","- C44 H60 Cl4 N8 O4 Zn2 -","- C88 H120 Cl8 N16 O8 Zn4 -","2","0.5","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","x-ray","0.72932","","","0.0466","0.0457","","","0.132","0.1344","","","","","","1.064","","","","has coordinates","270563","2021-11-10","09:59:50",""
"1565161","9.5328","0.0008","19.3","0.0016","13.5436","0.0011","90","","97.179","0.002","90","","2472.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cd2 Cl4 N8 O4 -","- C44 H60 Cd2 Cl4 N8 O4 -","- C88 H120 Cd4 Cl8 N16 O8 -","2","0.5","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","x-ray","0.72929","synchrotron","","0.0688","0.0672","","","0.1866","0.1906","","","","","","1.074","","","","has coordinates","270564","2021-11-10","10:01:49",""
"1565162","9.5573","0.0004","19.2939","0.0007","13.5592","0.0005","90","","97.356","0.001","90","","2479.71","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl4 Hg2 N8 O4 -","- C44 H60 Cl4 Hg2 N8 O4 -","- C88 H120 Cl8 Hg4 N16 O8 -","2","0.5","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","x-ray","0.72931","synchrotron","","0.0707","0.0695","","","0.1714","0.1738","","","","","","1.174","","","","has coordinates","270565","2021-11-10","10:05:45",""
"1565163","29.965","0.004","8.0447","0.0012","23.742","0.004","90","","122.071","0.007","90","","4849.8","1.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 Cl2 N4 O2.5 Zn -","- C22 H31 Cl2 N4 O2.5 Zn -","- C176 H248 Cl16 N32 O20 Zn8 -","8","1","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","","1.54178","CuKα","","0.0766","0.0452","","","0.0909","0.1033","","","","","","1.058","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1565164","11.1004","0.0003","12.9995","0.0003","18.6202","0.0005","90","","101.285","0.001","90","","2634.94","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cd Cl2 N4 O2.5 -","- C22 H30 Cd Cl2 N4 O2 -","- C88 H120 Cd4 Cl8 N16 O8 -","4","1","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","","0.71073","MoKα","","0.0589","0.0547","","","0.1695","0.1799","","","","","","1.057","","","","has coordinates","270567","2021-11-10","10:09:52",""
"1565165","21.515","0.003","18.53","0.002","19.322","0.003","90","","107.824","0.003","90","","7333.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C176 H114 Eu2 N24 O18 -","- C176 H114 Eu2 N24 O18 -","- C352 H228 Eu4 N48 O36 -","2","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1722","0.1397","","","0.2753","0.292","","","","","","1.275","","","","has coordinates","270568","2021-11-10","10:23:19",""
"1565166","11.295","0.0008","25.1086","0.0018","39.682","0.003","90","","90","","90","","11253.9","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Sm2 -","- C132 H92 N18 O19 Sm2 -","- C528 H368 N72 O76 Sm8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0453","0.0315","","","0.0733","0.0802","","","","","","1.013","","","","has coordinates","270569","2021-11-10","10:25:39",""
"1565167","11.2768","0.0011","25.121","0.003","39.622","0.004","90","","90","","90","","11224","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Eu2 N18 O19 -","- C132 H92 Eu2 N18 O19 -","- C528 H368 Eu8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0775","0.0403","","","0.0879","0.1046","","","","","","0.987","","","","has coordinates","270570","2021-11-10","10:26:56",""
"1565168","11.2588","0.0013","25.123","0.003","39.559","0.004","90","","90","","90","","11189","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Gd2 N18 O19 -","- C132 H92 Gd2 N18 O19 -","- C528 H368 Gd8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1152","0.0563","","","0.0991","0.1178","","","","","","1.001","","","","has coordinates","270571","2021-11-10","10:28:12",""
"1565169","11.211","0.002","24.948","0.005","39.487","0.007","90","","90","","90","","11044","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Tb2 -","- C132 H88 N18 O19 Tb2 -","- C528 H352 N72 O76 Tb8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1281","0.1096","","","0.2156","0.2233","","","","","","1.338","","","","has coordinates","270572","2021-11-10","10:30:20",""
"1565170","10.8336","0.0003","11.3855","0.0003","13.3069","0.0004","92.844","0.002","113.681","0.003","90.617","0.002","1500.45","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H84 F2 Mg5 N4 O46 -","- C32 H84 F2 Mg5 N4 O46 -","- C32 H84 F2 Mg5 N4 O46 -","1","0.5","","Kerber, William D.; Hartnett, D. Sean; Wang, Aiqiu; Mafrice, Carson Hawkins; Siegler, Maxime A.","Enhanced relative stability of heterobimetallic Fe(II), Zn(II), and Mg(II) clusters supported by a µ-phenoxo bridge","Inorganica Chimica Acta","2020","506","","119547","","10.1016/j.ica.2020.119547","","","1.54178","CuKα","","0.034","0.031","","","0.0887","0.0907","","","","","","1.072","","","","has coordinates","270573","2021-11-10","10:38:47",""
"1565171","10.5309","0.0003","10.8052","0.0003","13.7649","0.0004","102.549","0.002","109.982","0.003","105.13","0.003","1337.44","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H72 F2 N4 O40 Zn5 -","- C32 H72 F2 N4 O40 Zn5 -","- C32 H72 F2 N4 O40 Zn5 -","1","0.5","","Kerber, William D.; Hartnett, D. Sean; Wang, Aiqiu; Mafrice, Carson Hawkins; Siegler, Maxime A.","Enhanced relative stability of heterobimetallic Fe(II), Zn(II), and Mg(II) clusters supported by a µ-phenoxo bridge","Inorganica Chimica Acta","2020","506","","119547","","10.1016/j.ica.2020.119547","","","0.71073","MoKα","","0.0259","0.022","","","0.0515","0.0532","","","","","","1.042","","","","has coordinates","270574","2021-11-10","10:39:58",""
"1565194","9.8653","0.0016","16.939","0.002","13.5957","0.0018","90","","105.471","0.012","90","","2189.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 Co N2 -","- C26 H18 Cl2 Co N2 -","- C104 H72 Cl8 Co4 N8 -","4","1","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.0928","0.0378","","","0.0747","0.1034","","","","","","0.795","","","","has coordinates","270614","2021-11-12","09:43:13",""
"1565195","10.596","0.002","11.673","0.002","14.971","0.003","107.34","0.03","96.59","0.03","102.12","0.03","1696.7","0.7","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 Co N5 O7 -","- C39 H29 Co N5 O7 -","- C78 H58 Co2 N10 O14 -","2","1","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.0723","0.065","","","0.1006","0.1455","","","","","","0.995","","","","has coordinates","270614","2021-11-12","09:43:14",""
"1565196","4.6605","0.0005","14.435","0.002","15.6732","0.0016","90","","94.587","0.009","90","","1051","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl2 Cu N2 -","- C26 H18 Cl2 Cu N2 -","- C52 H36 Cl4 Cu2 N4 -","2","0.5","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.0863","0.0353","","","0.0632","0.0688","","","","","","0.711","","","","has coordinates","270614","2021-11-12","09:43:14",""
"1565197","8.0377","0.0013","8.8133","0.0014","11.8435","0.0016","75.611","0.012","73.896","0.012","83.263","0.013","779.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N2 O8 -","- C34 H30 Cu2 N2 O8 -","- C34 H30 Cu2 N2 O8 -","1","0.5","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.1513","0.0814","","","0.1896","0.2159","","","","","","0.86","","","","has coordinates","270614","2021-11-12","09:43:14",""
"1565198","12.135","0.003","12.766","0.003","19.016","0.005","104.49","0.008","98.77","0.009","111.063","0.008","2564","1.1","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 Cu4 Mo16 N8 O78 -","- C48 H44 Cu4 Mo16 N8 O78 -","- C48 H44 Cu4 Mo16 N8 O78 -","1","0.5","","Kumar, N. Tanmaya; Bhoi, Umashis; Naulakha, Pragya; Das, Samar K.","A polyoxometalate supported copper dimeric complex: Synthesis, structure and electrocatalysis","Inorganica Chimica Acta","2020","506","","119554","","10.1016/j.ica.2020.119554","","","0.71073","MoKα","","0.111","0.0748","","","0.2394","0.3043","","","","","","1.426","","","","has coordinates","270615","2021-11-12","09:48:06",""
"1565199","10.8064","0.0004","12.6391","0.0004","18.8322","0.0008","90","","100.67","0.002","90","","2527.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O8 Zn2 -","- C28 H20 O8 Zn2 -","- C112 H80 O32 Zn8 -","4","1","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.067","0.0416","","","0.0779","0.0852","","","","","","1.057","","","","has coordinates","270616","2021-11-12","09:54:34",""
"1565200","9.6838","0.0006","10.2466","0.0006","30.956","0.002","90","","90","","90","","3071.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cd O7 -","- C14 H16 Cd O7 -","- C112 H128 Cd8 O56 -","8","1","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0954","0.0482","","","0.0826","0.1063","","","","","","1.084","","","","has coordinates","270618","2021-11-12","09:55:56",""
"1565201","17.307","0.003","24.801","0.004","27.504","0.005","90","","107.284","0.006","90","","11272","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N2 O10 Zn2 -","- C42 H34 N2 O10 Zn2 -","- C504 H408 N24 O120 Zn24 -","12","1.5","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0919","0.0492","","","0.11","0.1478","","","","","","1.073","","","","has coordinates,has disorder","270619","2021-11-12","09:57:18",""
"1565202","13.3285","0.0005","13.3285","0.0005","27.8077","0.0011","90","","90","","90","","4940","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C56 H48 Cd2 N4 O12 -","- C56 H48 Cd2 N4 O12 -","- C224 H192 Cd8 N16 O48 -","4","0.5","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0322","0.0266","","","0.0539","0.0586","","","","","","1.114","","","","has coordinates","270620","2021-11-12","09:58:30",""
"1565203","10.6115","0.0003","10.8579","0.0003","17.2908","0.0007","93.506","0.002","102.353","0.003","92.412","0.002","1939.34","0.11","99.94","0.14","99.94","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N8 O4 Rh2 -","- C40 H54 N8 O4 Rh2 -","- C80 H108 N16 O8 Rh4 -","2","1","","Yokley, Timothy W.; Schley, Nathan D.; Brewster, Timothy P.","Rhodium and iridium NNO-Scorpionate complexes: synthesis, structure, and reactivity with aluminum alkyls","Inorganica Chimica Acta","2020","506","","119529","","10.1016/j.ica.2020.119529","","x-ray","0.71073","MoKα","","0.0746","0.0512","","","0.0862","0.0935","","","","","","1.058","","","","has coordinates","270641","2021-11-15","08:03:29",""
"1565204","12.7123","0.0003","12.9256","0.0004","20.2507","0.0005","108.581","0.003","92.978","0.002","103.244","0.002","3041.86","0.16","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H45 B Cl5 F24 Ir N4 O2 -","- C54.5 H45 B Cl5 F24 Ir N4 O2 -","- C109 H90 B2 Cl10 F48 Ir2 N8 O4 -","2","1","","Yokley, Timothy W.; Schley, Nathan D.; Brewster, Timothy P.","Rhodium and iridium NNO-Scorpionate complexes: synthesis, structure, and reactivity with aluminum alkyls","Inorganica Chimica Acta","2020","506","","119529","","10.1016/j.ica.2020.119529","","x-ray","0.71073","MoKα","","0.0499","0.0422","","","0.0937","0.0976","","","","","","1.049","","","","has coordinates,has disorder","270642","2021-11-15","08:07:05",""
"1565205","17.0733","0.0017","8.5106","0.0008","16.8262","0.0015","90","","117.271","0.003","90","","2173.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O5 S -","- C23 H23 N3 O5 S -","- C92 H92 N12 O20 S4 -","4","1","","Lawrence, Mark A.W.; Mulder, Willem H.; Celestine, Michael J.; McMillen, Colin D.; Holder, Alvin A.","Assessment of two cobalt(II) complexes with pincer ligands for the electrocatalytic hydrogen evolution reaction. A comparison of the SNS vs ONS coordination","Inorganica Chimica Acta","2020","506","","119497","","10.1016/j.ica.2020.119497","","","0.71073","MoKα","","0.0661","0.0471","","","0.1107","0.1199","","","","","","1.048","","","","has coordinates","270643","2021-11-15","08:12:04",""
"1565206","14.6512","0.0005","44.3536","0.0014","17.5398","0.0005","90","","90","","90","","11397.9","0.6","160","1","160","1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C47 H58 I4 N4 Ni O3 -","- C44 H46 I4 N4 Ni -","- C352 H368 I32 N32 Ni8 -","8","0.5","","Karges, Johannes; Blacque, Olivier; Gasser, Gilles","Metal dipyrrin complexes as potential photosensitizers for photodynamic therapy","Inorganica Chimica Acta","2020","505","","119482","","10.1016/j.ica.2020.119482","","x-ray","1.54184","CuKα","","0.1018","0.0666","","","0.1863","0.2089","","","","","","1.06","","","","has coordinates","270644","2021-11-15","08:26:31",""
"1565207","52.0433","0.0002","52.0433","0.0002","14.00387","0.0001","90","","90","","90","","37929.6","0.3","160","1","160","1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C45.5 H49.5 Cu I4 N4 -","- C44 H46 Cu I4 N4 -","- C1408 H1472 Cu32 I128 N128 -","32","2","","Karges, Johannes; Blacque, Olivier; Gasser, Gilles","Metal dipyrrin complexes as potential photosensitizers for photodynamic therapy","Inorganica Chimica Acta","2020","505","","119482","","10.1016/j.ica.2020.119482","","x-ray","1.54184","CuKα","","0.044","0.0338","","","0.0765","0.0811","","","","","","1.018","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1565208","11.0913","0.0007","20.9676","0.0014","16.2187","0.0011","90","","101.334","0.002","90","","3698.2","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Fe2 N O4 P2 S2 -","- C35 H35 Fe2 N O4 P2 S2 -","- C140 H140 Fe8 N4 O16 P8 S8 -","4","1","","Li, Jian-Rong; Hu, Meng-Yuan; Zhao, Pei-Hua; Tian, Wen-Jing; Xu, Ting-Ting; Li, Yu-Long","Asymmetrically PNP-chelate diiron ethanedithiolate complexes Fe2(μ-edt)(CO)4{κ-(Ph2P)2NR} as diiron subsite models of [FeFe]-hydrogenases: Structural and electrocatalytic investigation","Inorganica Chimica Acta","2020","505","","119493","","10.1016/j.ica.2020.119493","","","0.71073","MoKα","","0.0602","0.0452","","","0.1143","0.1239","","","","","","1.038","","","","has coordinates,has disorder","270645","2021-11-15","08:45:12",""
"1565209","7.174","0.002","8.763","0.003","16.866","0.005","80.891","0.005","87.715","0.005","69.027","0.005","977.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Co N4 O15 -","- C12 H20 Co N4 O15 -","- C24 H40 Co2 N8 O30 -","2","1","","Li, Xiao-Fei; Yang, Yan-Qiu; Li, Ya-Xue; Yang, Huai-Xia; Zhao, Wen-Feng; Meng, Xiang-Ru","Synthesis, crystal structure, and BSA binding studies of new Co(II) and Ni(II) complexes of 2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2020","505","","119469","","10.1016/j.ica.2020.119469","","","0.71073","MoKα","","0.0388","0.0342","","","0.0945","0.098","","","","","","1.033","","","","has coordinates","270646","2021-11-15","08:49:05",""
"1565210","6.5445","0.0013","13.644","0.003","9.4681","0.0019","90","","104.72","0.03","90","","817.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 Ni O12 -","- C12 H14 N4 Ni O12 -","- C24 H28 N8 Ni2 O24 -","2","0.5","","Li, Xiao-Fei; Yang, Yan-Qiu; Li, Ya-Xue; Yang, Huai-Xia; Zhao, Wen-Feng; Meng, Xiang-Ru","Synthesis, crystal structure, and BSA binding studies of new Co(II) and Ni(II) complexes of 2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2020","505","","119469","","10.1016/j.ica.2020.119469","","","0.71073","MoKα","","0.0554","0.0474","","","0.099","0.1035","","","","","","1.1","","","","has coordinates","270646","2021-11-15","08:49:06",""
"1565211","20.6993","0.001","15.1138","0.0009","26.913","0.002","90","","90","","90","","8419.6","0.9","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H42 Cl Cu2 N3 O13 -","- C45 H42 Cl Cu2 N3 O13 -","- C360 H336 Cl8 Cu16 N24 O104 -","8","1","","Kumar Mudi, Prafullya; Bandopadhyay, Nilaj; Joshi, Mayank; Shit, Madhusudan; Paul, Suvendu; Roy Choudhury, Angshuman; Biswas, Bhaskar","Schiff base triggering synthesis of copper(II) complex and its catalytic fate towards mimics of phenoxazinone synthase activity","Inorganica Chimica Acta","2020","505","","119468","","10.1016/j.ica.2020.119468","","x-ray","0.71073","MoKα","","0.1184","0.0685","","","0.1711","0.2393","","","","","","1.052","","","","has coordinates","270647","2021-11-15","08:53:16",""
"1565212","9.66459","0.00014","14.1481","0.0002","21.1011","0.0003","94.4327","0.0011","94.1063","0.0012","104.071","0.0012","2778.11","0.07","173","2","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 F6 N O3 Sn -","- C24 H33 F6 N O3 Sn -","- C96 H132 F24 N4 O12 Sn4 -","4","2","","Ahmad, Iftikhar; Zia-ur-Rehman,; Waseem, Amir; Tariq, Muhammad; MacBeth, Cora; Bacsa, John; Venkataraman, Deepak; Rajakumar, Augustine; Ullah, Nazif; Tabassum, Saira","Organotin(IV) derivatives of amide-based carboxylates: Synthesis, spectroscopic characterization, single crystal studies and antimicrobial, antioxidant, cytotoxic, anti-leishmanial, hemolytic, noncancerous, anticancer activities","Inorganica Chimica Acta","2020","505","","119433","","10.1016/j.ica.2020.119433","","x-ray","0.71073","MoKα","","0.0631","0.0574","","","0.1612","0.1661","","","","","","1.038","","","","has coordinates,has disorder","270648","2021-11-15","09:01:28",""
"1565213","15.3177","0.0005","10.9589","0.0003","22.7379","0.0007","90","","112.868","0.004","90","","3516.9","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 F6 N O3 Sn -","- C15 H15 F6 N O3 Sn -","- C120 H120 F48 N8 O24 Sn8 -","8","1","","Ahmad, Iftikhar; Zia-ur-Rehman,; Waseem, Amir; Tariq, Muhammad; MacBeth, Cora; Bacsa, John; Venkataraman, Deepak; Rajakumar, Augustine; Ullah, Nazif; Tabassum, Saira","Organotin(IV) derivatives of amide-based carboxylates: Synthesis, spectroscopic characterization, single crystal studies and antimicrobial, antioxidant, cytotoxic, anti-leishmanial, hemolytic, noncancerous, anticancer activities","Inorganica Chimica Acta","2020","505","","119433","","10.1016/j.ica.2020.119433","","x-ray","1.54184","CuKα","","0.0592","0.0584","","","0.1561","0.1572","","","","","","1.087","","","","has coordinates","270648","2021-11-15","09:01:32",""
"1565214","9.5424","0.0003","6.907","0.0002","23.3651","0.0008","90","","91.774","0.003","90","","1539.24","0.08","99.93","0.16","99.93","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O4 Sn -","- C14 H19 N O4 Sn -","- C56 H76 N4 O16 Sn4 -","4","1","","Ahmad, Iftikhar; Zia-ur-Rehman,; Waseem, Amir; Tariq, Muhammad; MacBeth, Cora; Bacsa, John; Venkataraman, Deepak; Rajakumar, Augustine; Ullah, Nazif; Tabassum, Saira","Organotin(IV) derivatives of amide-based carboxylates: Synthesis, spectroscopic characterization, single crystal studies and antimicrobial, antioxidant, cytotoxic, anti-leishmanial, hemolytic, noncancerous, anticancer activities","Inorganica Chimica Acta","2020","505","","119433","","10.1016/j.ica.2020.119433","","x-ray","1.54184","CuKα","","0.0418","0.0402","","","0.1067","0.1083","","","","","","1.077","","","","has coordinates","270648","2021-11-15","09:01:32",""
"1565215","10.9464","0.0007","12.8805","0.0008","13.9048","0.0009","101.12","0.003","112.968","0.003","100.847","0.003","1694.2","0.2","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H54 Dy2 F12 N4 O10 -","- C76 H54 Dy2 F12 N4 O10 -","- C76 H54 Dy2 F12 N4 O10 -","1","0.5","","Chang, Yi-Xin; Gao, Ning; Wang, Mei-Ying; Wang, Wan-Ting; Fan, Zi-Wei; Ren, Duo-Duo; Wu, Zhi-Lei; Wang, Wen-Min","Two phenoxo-O bridged dinuclear Dy(III) complexes exhibiting distinct slow magnetic relaxation induced by different β-diketonate ligands","Inorganica Chimica Acta","2020","505","","119499","","10.1016/j.ica.2020.119499","","","0.71073","MoKα","","0.0766","0.0477","","","0.1018","0.1199","","","","","","1.056","","","","has coordinates,has disorder","270649","2021-11-15","09:54:25",""
"1565216","10.8475","0.0012","13.0262","0.0013","13.4316","0.0017","69.802","0.005","69.742","0.006","78.28","0.005","1663.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H46 Dy2 F12 N4 O10 S4 -","- C68 H46 Dy2 F12 N4 O10 S4 -","- C68 H46 Dy2 F12 N4 O10 S4 -","1","0.5","","Chang, Yi-Xin; Gao, Ning; Wang, Mei-Ying; Wang, Wan-Ting; Fan, Zi-Wei; Ren, Duo-Duo; Wu, Zhi-Lei; Wang, Wen-Min","Two phenoxo-O bridged dinuclear Dy(III) complexes exhibiting distinct slow magnetic relaxation induced by different β-diketonate ligands","Inorganica Chimica Acta","2020","505","","119499","","10.1016/j.ica.2020.119499","","","0.71073","MoKα","","0.1406","0.0859","","","0.2062","0.2532","","","","","","1.065","","","","has coordinates,has disorder","270650","2021-11-15","09:55:36",""
"1565217","11.8615","0.0004","12.0691","0.0004","16.1841","0.0007","90","","98.043","0.002","90","","2294.09","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I2 Mo N3 O6 -","- C18 H17 I2 Mo N3 O6 -","- C72 H68 I8 Mo4 N12 O24 -","4","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.0475","0.032","","","0.0692","0.0761","","","","","","1.025","","","","has coordinates","270651","2021-11-15","10:04:19",""
"1565218","7.916","0.0005","12.1801","0.0006","22.9231","0.0014","90","","97.752","0.003","90","","2190","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 I2 Mo N2 O6 S -","- C17 H16 I2 Mo N2 O6 S -","- C68 H64 I8 Mo4 N8 O24 S4 -","4","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.0431","0.0285","","","0.0538","0.059","","","","","","1.02","","","","has coordinates","270652","2021-11-15","10:05:35",""
"1565219","8.4256","0.001","11.4374","0.0014","12.396","0.0016","109.254","0.006","90.143","0.006","95.456","0.005","1121.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 I2 Mo N3 O5 -","- C20 H15 I2 Mo N3 O5 -","- C40 H30 I4 Mo2 N6 O10 -","2","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.0467","0.0392","","","0.1067","0.1109","","","","","","1.077","","","","has coordinates","270653","2021-11-15","10:07:04",""
"1565220","8.441","0.0004","12.1874","0.0006","12.3119","0.0005","110.506","0.002","99.493","0.002","90.853","0.002","1166.45","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 I2 Mo N3 O5 -","- C21 H17 I2 Mo N3 O5 -","- C42 H34 I4 Mo2 N6 O10 -","2","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.036","0.0284","","","0.0742","0.0801","","","","","","0.968","","","","has coordinates","270654","2021-11-15","10:08:12",""
"1565221","9.1929","0.0006","24.4368","0.0017","13.3037","0.0009","90","","94.56","0.002","90","","2979.2","0.3","275","2","275","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H30 N2 O4.5 Sn -","- C35 H31 N2 O4.5 Sn -","- C140 H124 N8 O18 Sn4 -","4","2","","Lara-Cerón, Jesús A.; Jiménez-Pérez, Víctor M.; Molina-Paredes, Areli A.; Ochoa, María E.; Sábio, Rafael M.; Amaral, André C.; da Silva, Robson R.; Ribeiro, Sidney J.L.; da S. Barud, Hernane; Muñoz-Flores, Blanca M.","Ultrasound-assisted synthesis of organotin compounds and their application as luminescent dye in silk fibroin scaffolds","Inorganica Chimica Acta","2020","505","","119490","","10.1016/j.ica.2020.119490","","","0.71073","MoKα","","0.0781","0.0636","","","0.1534","0.1641","","","","","","1.111","","","","has coordinates","270655","2021-11-15","10:12:47",""
"1565222","19.8009","0.0005","13.2812","0.0003","14.8388","0.0004","90","","90","","90","","3902.3","0.17","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H28 In N3 S2 Se -","- C13 H28 In N3 S2 Se -","- C104 H224 In8 N24 S16 Se8 -","8","0.5","","Park, Joo-Hyun; Chung, Taek-Mo; Park, Bo Keun; Kim, Chang Gyoun","Indium complexes with aminothiolate ligands as single precursors for indium chalcogenides","Inorganica Chimica Acta","2020","505","","119504","","10.1016/j.ica.2020.119504","","","0.71073","MoKα","","0.0139","0.0132","","","0.0344","0.0348","","","","","","0.763","","","","has coordinates","270656","2021-11-15","10:18:19",""
"1565223","10.559","0.0002","11.094","0.0002","15.2071","0.0002","90","","90","","90","","1781.38","0.05","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl In N2 S2 -","- C12 H28 Cl In N2 S2 -","- C48 H112 Cl4 In4 N8 S8 -","4","1","","Park, Joo-Hyun; Chung, Taek-Mo; Park, Bo Keun; Kim, Chang Gyoun","Indium complexes with aminothiolate ligands as single precursors for indium chalcogenides","Inorganica Chimica Acta","2020","505","","119504","","10.1016/j.ica.2020.119504","","","0.71073","MoKα","","0.0127","0.0126","","","0.0312","0.0312","","","","","","1.084","","","","has coordinates","270656","2021-11-15","10:18:23",""
"1565224","25.293","0.0004","14.6432","0.0003","20.5612","0.0004","90","","113.05","0.0012","90","","7007.3","0.2","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 B2 F8 N4 Ni2 O P4 S4 -","- C68 H72 B2 F8 N4 Ni2 O P4 S4 -","- C272 H288 B8 F32 N16 Ni8 O4 P16 S16 -","4","1","","Hamaguchi, Tomohiko; Kai, Keisuke; Ando, Isao; Kawano, Ken; Yamauchi, Kosei; Sakai, Ken","A dinuclear nickel catalyst based on metal–metal cooperation for electrochemical hydrogen production","Inorganica Chimica Acta","2020","505","","119498","","10.1016/j.ica.2020.119498","","","0.71075","MoKα","","0.0521","0.0443","","","0.1237","0.1287","","","","","","1.014","","","","has coordinates,has disorder","270657","2021-11-15","10:26:03",""
"1565225","30.491","0.008","30.491","0.009","15.224","0.004","90","","90","","90","","14154","7","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C60 H96 Cl2 Cu4 N4 O17 -","- C60 H96 Cl2 Cu4 N4 O17 -","- C480 H768 Cl16 Cu32 N32 O136 -","8","1","","Dasgupta, Sanchari; Mandal, Arnab; Samanta, Debabrata; Zangrando, Ennio; Maity, Suvendu; Das, Debasis","Catalytic promiscuity of a copper(II)-Mannich base complex having unprecedented radical pathway in catecholase activity","Inorganica Chimica Acta","2020","505","","119480","","10.1016/j.ica.2020.119480","","","0.71073","MoKα","","0.1014","0.0619","","","0.1485","0.1736","","","","","","1.033","","","","has coordinates,has disorder","270658","2021-11-15","10:38:58",""
"1565238","22.7117","0.0015","14.5551","0.001","27.4","0.003","90","","91.973","0.007","90","","9052.3","1.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H74 Mn5 N24 O12 -","- C94 H74 Mn5 N24 O12 -","- C376 H296 Mn20 N96 O48 -","4","0.5","","Tang, Qun; Yang, Yanli; Cheng, Ze; Chen, Xiuni; Lin, Qingmei; Zou, Zhiming; Zou, Hua-Hong; Liang, Fu-Pei","Construction and magnetic properties of hemicyclic “phoenix crown” manganese clusters: Molecular assembly from {Mn5} to {Mn10} cluster","Inorganica Chimica Acta","2020","504","","119438","","10.1016/j.ica.2020.119438","","","0.71073","MoKα","","0.0904","0.0637","","","0.1641","0.1894","","","","","","1.065","","","","has coordinates","270676","2021-11-16","09:15:09",""
"1565239","30.019","0.003","19.632","0.002","28.963","0.003","90","","111.683","0.002","90","","15861","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C143 H163 Mn10 N31 O54 -","- C143 H163 Mn10 N31 O54 -","- C572 H652 Mn40 N124 O216 -","4","1","","Tang, Qun; Yang, Yanli; Cheng, Ze; Chen, Xiuni; Lin, Qingmei; Zou, Zhiming; Zou, Hua-Hong; Liang, Fu-Pei","Construction and magnetic properties of hemicyclic “phoenix crown” manganese clusters: Molecular assembly from {Mn5} to {Mn10} cluster","Inorganica Chimica Acta","2020","504","","119438","","10.1016/j.ica.2020.119438","","","0.71073","MoKα","","0.1093","0.0711","","","0.1668","0.1936","","","","","","1.063","","","","has coordinates","270676","2021-11-16","09:15:22",""
"1565240","8.31","0.002","9.129","0.002","19.215","0.004","91.813","0.003","100.173","0.002","98.334","0.003","1417.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H20 Cl2 Fe2 N O5 P S2 -","- C25 H20 Cl2 Fe2 N O5 P S2 -","- C50 H40 Cl4 Fe4 N2 O10 P2 S4 -","2","1","","Hu, Shu-Peng; Zhang, Li; Wu, Yu; Feng, Jian-Shen; Wu, Sheng; Xie, Bin; Zou, Li-Ke","[FeFe]-hydrogenase active site mimics containing pyridyl-functionalized phosphine ligands: Synthesis, characterization and electrochemical investigation","Inorganica Chimica Acta","2020","504","","119435","","10.1016/j.ica.2020.119435","","","0.71073","MoKα","","0.0629","0.0555","","","0.1281","0.1313","","","","","","1.192","","","","has coordinates","270677","2021-11-16","09:19:14",""
"1565241","16.6942","0.0007","10.011","0.0004","17.4035","0.0007","90","","115.122","0.001","90","","2633.44","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Fe2 N O5 P S2 -","- C25 H20 Fe2 N O5 P S2 -","- C100 H80 Fe8 N4 O20 P4 S8 -","4","1","","Hu, Shu-Peng; Zhang, Li; Wu, Yu; Feng, Jian-Shen; Wu, Sheng; Xie, Bin; Zou, Li-Ke","[FeFe]-hydrogenase active site mimics containing pyridyl-functionalized phosphine ligands: Synthesis, characterization and electrochemical investigation","Inorganica Chimica Acta","2020","504","","119435","","10.1016/j.ica.2020.119435","","","0.71073","MoKα","","0.0373","0.0281","","","0.068","0.0723","","","","","","1.074","","","","has coordinates","270678","2021-11-16","09:20:54",""
"1565242","16.6214","0.001","9.9836","0.0006","17.6204","0.0011","90","","115.717","0.001","90","","2634.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Fe2 N O5 P S2 -","- C26 H22 Fe2 N O5 P S2 -","- C104 H88 Fe8 N4 O20 P4 S8 -","4","1","","Hu, Shu-Peng; Zhang, Li; Wu, Yu; Feng, Jian-Shen; Wu, Sheng; Xie, Bin; Zou, Li-Ke","[FeFe]-hydrogenase active site mimics containing pyridyl-functionalized phosphine ligands: Synthesis, characterization and electrochemical investigation","Inorganica Chimica Acta","2020","504","","119435","","10.1016/j.ica.2020.119435","","","0.71073","MoKα","","0.0269","0.0222","","","0.0522","0.0546","","","","","","1.023","","","","has coordinates","270679","2021-11-16","09:23:51",""
"1565243","7.1091","0.0006","9.6797","0.0007","13.6943","0.001","69.535","0.004","89.651","0.004","71.724","0.004","832.65","0.12","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cu N2 O2 S4 -","- C30 H28 Cu N2 O2 S4 -","- C30 H28 Cu N2 O2 S4 -","1","0.5","","Ajibade, Peter A.; Fatokun, Amos A.; Andrew, Fartisincha P.","Synthesis, characterization and anti-cancer studies of Mn(II), Cu(II), Zn(II) and Pt(II) dithiocarbamate complexes - crystal structures of the Cu(II) and Pt(II) complexes","Inorganica Chimica Acta","2020","504","","119431","","10.1016/j.ica.2020.119431","","x-ray","0.71073","MoKα","","0.051","0.0362","","","0.0862","0.0915","","","","","","0.996","","","","has coordinates","270680","2021-11-16","09:37:57",""
"1565244","28.219","0.006","17.75","0.004","7.68","0.0016","90","","90","","90","","3846.8","1.4","100","2","100.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O2 Pt S4 -","- C30 H28 N2 O2 Pt S4 -","- C120 H112 N8 O8 Pt4 S16 -","4","1","","Ajibade, Peter A.; Fatokun, Amos A.; Andrew, Fartisincha P.","Synthesis, characterization and anti-cancer studies of Mn(II), Cu(II), Zn(II) and Pt(II) dithiocarbamate complexes - crystal structures of the Cu(II) and Pt(II) complexes","Inorganica Chimica Acta","2020","504","","119431","","10.1016/j.ica.2020.119431","","x-ray","0.71073","MoKα","","0.0655","0.0613","","","0.1487","0.1514","","","","","","1.035","","","","has coordinates","270680","2021-11-16","09:38:02",""
"1565245","10.1795","0.0002","16.4812","0.0003","16.6731","0.0004","90","","90","","90","","2797.25","0.1","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H36 N6 Ni O4 -","- C28 H36 N6 Ni O4 -","- C112 H144 N24 Ni4 O16 -","4","0.5","","Nagar, Suryakant; Chatterjee, Sucheta; Goswami, Dibakar; Cordes, David B.; Slawin, A.M.Z.; Chauhan, Rohit Singh; Prabhu, Pradnya","Reactivity of nickel metal precursors towards amido linked N-heterocyclic carbenes and their catalytic studies for cross coupling reactions","Inorganica Chimica Acta","2020","504","","119446","","10.1016/j.ica.2020.119446","","","0.71073","MoKα","","0.0347","0.0275","","","0.0709","0.0736","","","","","","1.054","","","","has coordinates","270681","2021-11-16","09:42:49",""
"1565246","9.8093","0.0004","16.8345","0.0006","17.7177","0.0005","90","","95.204","0.003","90","","2913.75","0.18","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N6 Ni O2 -","- C32 H40 N6 Ni O2 -","- C128 H160 N24 Ni4 O8 -","4","1","","Nagar, Suryakant; Chatterjee, Sucheta; Goswami, Dibakar; Cordes, David B.; Slawin, A.M.Z.; Chauhan, Rohit Singh; Prabhu, Pradnya","Reactivity of nickel metal precursors towards amido linked N-heterocyclic carbenes and their catalytic studies for cross coupling reactions","Inorganica Chimica Acta","2020","504","","119446","","10.1016/j.ica.2020.119446","","","0.71073","MoKα","","0.128","0.048","","","0.0825","0.099","","","","","","0.983","","","","has coordinates,has disorder","270682","2021-11-16","09:44:04",""
"1565247","7.206","0.003","18.089","0.008","21.259","0.009","90","","104.489","0.013","90","","2683","2","296","2","296.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 Br4 Cl3 Dy N2 O3 -","- C21 H18 Br4 Cl3 Dy N2 O3 -","- C84 H72 Br16 Cl12 Dy4 N8 O12 -","4","1","","Yin, Xiuju; Li, Shixiong; Liao, Beiling","Investigation of magneto-structural relation based on a series of mononuclear dysprosium single-ion magnets with high Oh symmetry","Inorganica Chimica Acta","2020","504","","119451","","10.1016/j.ica.2020.119451","","","0.71073","MoKα","","0.1632","0.1215","","","0.2754","0.2922","","","","","","1.278","","","","has coordinates","270683","2021-11-16","09:50:02",""
"1565248","10.46","0.006","7.275","0.004","36.7","0.02","90","","91.994","0.008","90","","2791","3","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Br4 Cl3 Dy N2 O3 -","- C22 H20 Br4 Cl3 Dy N2 O3 -","- C88 H80 Br16 Cl12 Dy4 N8 O12 -","4","1","","Yin, Xiuju; Li, Shixiong; Liao, Beiling","Investigation of magneto-structural relation based on a series of mononuclear dysprosium single-ion magnets with high Oh symmetry","Inorganica Chimica Acta","2020","504","","119451","","10.1016/j.ica.2020.119451","","","0.71073","MoKα","","0.038","0.0299","","","0.0683","0.0714","","","","","","1.108","","","","has coordinates","270683","2021-11-16","09:50:13",""
"1565249","5.3068","0.0004","8.9688","0.0006","15.6014","0.001","81.757","0.005","85.286","0.005","87.395","0.005","731.97","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cu N8 O6 -","- C28 H38 Cu N8 O6 -","- C28 H38 Cu N8 O6 -","1","0.5","","Sharma, Mitu; Ganeshpandian, Mani; Sanjeev, Airy; Tamilarasan, Ajaykamal; Mattaparthi, Venkata Satish Kumar; Islam, Nashreen S.; Palaniandavar, Mallayan","Bis- and mixed-ligand copper(II) complexes of nalidixic acid the antibacterial drug: Mode of nalidixate coordination determines DNA binding and cleavage and cytotoxicity","Inorganica Chimica Acta","2020","504","","119450","","10.1016/j.ica.2020.119450","","","0.71073","MoKα","","0.061","0.0498","","","0.1053","0.1082","","","","","","1.198","","","","has coordinates","270684","2021-11-16","09:54:29",""
"1565250","8.291","0.0003","7.4556","0.0003","19.2127","0.0006","90","","99.809","0.002","90","","1170.26","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cu N4 O8 -","- C24 H26 Cu N4 O8 -","- C48 H52 Cu2 N8 O16 -","2","0.5","","Sharma, Mitu; Ganeshpandian, Mani; Sanjeev, Airy; Tamilarasan, Ajaykamal; Mattaparthi, Venkata Satish Kumar; Islam, Nashreen S.; Palaniandavar, Mallayan","Bis- and mixed-ligand copper(II) complexes of nalidixic acid the antibacterial drug: Mode of nalidixate coordination determines DNA binding and cleavage and cytotoxicity","Inorganica Chimica Acta","2020","504","","119450","","10.1016/j.ica.2020.119450","","","0.71073","MoKα","","0.052","0.0484","","","0.1438","0.1469","","","","","","1.075","","","","has coordinates","270685","2021-11-16","09:55:45",""
"1565251","9.3352","0.0002","11.6054","0.0003","24.7715","0.0007","90","","90","","90","","2683.71","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 Ag F3 N2 O3 S -","- C31 H22 Ag F3 N2 O3 S -","- C124 H88 Ag4 F12 N8 O12 S4 -","4","1","","Bolotin, Dmitrii S.; Soldatova, Natalia S.; Demakova, Marina Ya.; Novikov, Alexander S.; Ivanov, Daniil M.; Aliyarova, Irina S.; Sapegin, Alexander; Krasavin, Mikhail","Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands: Interplay of coordination bonds, semicoordination, and stacking interactions","Inorganica Chimica Acta","2020","504","","119453","","10.1016/j.ica.2020.119453","","","0.71073","MoKα","","0.0268","0.0231","","","0.0462","0.0474","","","","","","1.031","","","","has coordinates","270686","2021-11-16","10:01:41",""
"1565252","9.6545","0.0006","11.639","0.0009","11.9233","0.0006","112.086","0.007","112.658","0.005","91.941","0.006","1120.37","0.16","143","0.1","143","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 Cl3 Dy N3 O8 -","- C18 H13 Cl3 Dy N3 O8 -","- C36 H26 Cl6 Dy2 N6 O16 -","2","1","","Zhao, Xiaoqing; Zhang, Fenhang; Liu, Yajun; Zhao, Tianhao; Zhao, Hongyan; Xiang, Shuo; Li, Yunchun","A series of luminescent Lnlll-based coordination polymers: Syntheses, structures and luminescent properties","Inorganica Chimica Acta","2020","504","","119459","","10.1016/j.ica.2020.119459","","x-ray","0.71073","MoKα","","0.0487","0.0443","","","0.1117","0.1131","","","","","","1.019","","","","has coordinates","270687","2021-11-16","10:30:23",""
"1565253","9.6945","0.0013","11.244","0.0009","11.9536","0.0013","87.791","0.008","67.24","0.012","80.174","0.009","1183.4","0.3","143","0.1","143","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl3 Eu N3 O8 -","- C19 H15 Cl3 Eu N3 O8 -","- C38 H30 Cl6 Eu2 N6 O16 -","2","1","","Zhao, Xiaoqing; Zhang, Fenhang; Liu, Yajun; Zhao, Tianhao; Zhao, Hongyan; Xiang, Shuo; Li, Yunchun","A series of luminescent Lnlll-based coordination polymers: Syntheses, structures and luminescent properties","Inorganica Chimica Acta","2020","504","","119459","","10.1016/j.ica.2020.119459","","x-ray","0.71073","MoKα","","0.0435","0.0379","","","0.0799","0.0843","","","","","","1.052","","","","has coordinates,has disorder","270687","2021-11-16","10:30:26",""
"1565254","9.6921","0.0006","11.2346","0.0009","11.9007","0.0007","88","0.006","67.275","0.006","80.259","0.006","1177.34","0.15","143","0.1","143","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl3 N3 O8 Sm -","- C19 H14 Cl3 N3 O8 Sm -","- C38 H28 Cl6 N6 O16 Sm2 -","2","1","","Zhao, Xiaoqing; Zhang, Fenhang; Liu, Yajun; Zhao, Tianhao; Zhao, Hongyan; Xiang, Shuo; Li, Yunchun","A series of luminescent Lnlll-based coordination polymers: Syntheses, structures and luminescent properties","Inorganica Chimica Acta","2020","504","","119459","","10.1016/j.ica.2020.119459","","x-ray","0.71073","MoKα","","0.0472","0.0388","","","0.0939","0.1006","","","","","","1.073","","","","has coordinates,has disorder","270687","2021-11-16","10:30:36",""
"1565255","15.9412","0.0005","13.2154","0.0005","14.3335","0.0006","90","","107.641","0.004","90","","2877.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe2 N10 O28 -","- C54 H52 Fe2 N10 O28 -","- C108 H104 Fe4 N20 O56 -","2","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.0845","0.0587","","","0.1663","0.1907","","","","","","1.004","","","","has coordinates","270688","2021-11-16","10:36:05",""
"1565256","9.1151","0.0004","13.703","0.0012","15.2454","0.0008","103.581","0.006","90.573","0.004","106.205","0.006","1771.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Fe2 N12 O30 -","- C66 H54 Fe2 N12 O30 -","- C66 H54 Fe2 N12 O30 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.074","0.0595","","","0.1784","0.2018","","","","","","1.015","","","","has coordinates","270688","2021-11-16","10:36:14",""
"1565257","9.2055","0.0003","12.3939","0.0011","14.7103","0.0011","95.836","0.007","90.136","0.004","91.583","0.005","1669","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 Fe2 N12 O28 -","- C66 H50 Fe2 N12 O28 -","- C66 H50 Fe2 N12 O28 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.0731","0.0535","","","0.1361","0.1566","","","","","","1.038","","","","has coordinates","270688","2021-11-16","10:36:14",""
"1565258","9.5665","0.0006","12.5265","0.0011","13.8746","0.001","87.51","0.006","84.392","0.006","82.603","0.006","1640.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Fe2 N10 O32 -","- C60 H62 Fe2 N10 O32 -","- C60 H62 Fe2 N10 O32 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.0635","0.0463","","","0.1044","0.1149","","","","","","1.041","","","","has coordinates","270688","2021-11-16","10:36:14",""
"1565259","9.5174","0.0005","13.3262","0.0008","13.7708","0.0008","87.033","0.005","74.57","0.005","86.487","0.005","1679.3","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H56 Fe2 N10 O30 -","- C66 H56 Fe2 N10 O30 -","- C66 H56 Fe2 N10 O30 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.076","0.0553","","","0.1431","0.1656","","","","","","1.003","","","","has coordinates","270688","2021-11-16","10:36:17",""
"1565260","7.6253","0.0003","23.219","0.0009","11.6962","0.0004","90","","96.025","0.003","90","","2059.39","0.13","143","2","143","2","","","","","","","","6","I 1 a 1","I -2ya","9","AB111","","","- C13 H20 Ag2 N6 O6 S2 -","- C13 H20 Ag2 N6 O6 S2 -","- C52 H80 Ag8 N24 O24 S8 -","4","1","","Beheshti, Azizolla; Panahi, Fatemeh; Soleymani-Babadi, Susan; Mayer, Peter; Lipkowski, Janusz; Motamedi, Hossein; Samiee, Sepideh","Rational synthesis, structural characterization, theoretical studies, antibacterial activity and selective dye absorption of new silver coordination polymers generated from a flexible bis (imidazole-2-thione) ligand","Inorganica Chimica Acta","2020","504","","119406","","10.1016/j.ica.2019.119406","","","0.71073","MoKα","","0.0299","0.0262","","","0.0535","0.0567","","","","","","1.053","","","","has coordinates","270689","2021-11-16","10:43:32",""
"1565261","11.6893","0.0003","11.6893","0.0003","12.7617","0.0003","90","","90","","90","","1743.76","0.08","293","2","293","2","","","","","","","","6","P 42","P 4c","77","AB91","","","- C13 H20 Ag Br N4 S2 -","- C13 H20 Ag Br N4 S2 -","- C52 H80 Ag4 Br4 N16 S8 -","4","1","","Beheshti, Azizolla; Panahi, Fatemeh; Soleymani-Babadi, Susan; Mayer, Peter; Lipkowski, Janusz; Motamedi, Hossein; Samiee, Sepideh","Rational synthesis, structural characterization, theoretical studies, antibacterial activity and selective dye absorption of new silver coordination polymers generated from a flexible bis (imidazole-2-thione) ligand","Inorganica Chimica Acta","2020","504","","119406","","10.1016/j.ica.2019.119406","","","0.71073","MoKα","","0.0477","0.031","","","0.067","0.0735","","","","","","1.028","","","","has coordinates","270689","2021-11-16","10:43:33",""
"1565262","10.3905","0.0007","13.663","0.0009","14.4405","0.0008","76.772","0.005","85.757","0.005","77.233","0.006","1945.7","0.2","298","","298","","","","","","","","","8","P -1","-P 1","2","","[Ru(Fc-tpy)(bpy)Cl](PF6)","","- C35 H27 Cl F6 Fe N5 P Ru -","- C35 H27 Cl F6 Fe N5 P Ru -","- C70 H54 Cl2 F12 Fe2 N10 P2 Ru2 -","2","1","","Vatsa, Aditi; Padhi, Sumanta Kumar","Catalytic water oxidation by a single site [Ru(Fc-tpy)(bpy)OH2]2+ complex and it’s mechanistic study","Inorganica Chimica Acta","2020","504","","119444","","10.1016/j.ica.2020.119444","","x-ray","0.71073","MoKα","","0.0984","0.0649","","","0.1637","0.1794","","","","","","0.9278","","","","has coordinates","270690","2021-11-16","10:47:41",""
"1565277","12.3222","0.0004","13.9057","0.0006","14.1617","0.0005","105.228","0.004","103.008","0.003","100.239","0.003","2207.7","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Fe2 O6 S2 -","- C20 H14 Fe2 O6 S2 -","- C80 H56 Fe8 O24 S8 -","4","2","","Agarwal, Tashika; Kaur-Ghumaan, Sandeep","Mono- and dinuclear mimics of the [FeFe] hydrogenase enzyme featuring bis(monothiolato) and 1,3,5-triaza-7-phosphaadamantane ligands","Inorganica Chimica Acta","2020","504","","119442","","10.1016/j.ica.2020.119442","","","0.71073","MoKα","","0.0805","0.0482","","","0.0941","0.1126","","","","","","1.041","","","","has coordinates","270713","2021-11-17","08:28:30",""
"1565278","10.3487","0.0008","20.8705","0.0011","12.8039","0.0007","90","","94.273","0.006","90","","2757.7","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Fe2 N3 O5 P S2 -","- C25 H26 Fe2 N3 O5 P S2 -","- C100 H104 Fe8 N12 O20 P4 S8 -","4","1","","Agarwal, Tashika; Kaur-Ghumaan, Sandeep","Mono- and dinuclear mimics of the [FeFe] hydrogenase enzyme featuring bis(monothiolato) and 1,3,5-triaza-7-phosphaadamantane ligands","Inorganica Chimica Acta","2020","504","","119442","","10.1016/j.ica.2020.119442","","x-ray","0.71073","MoKα","","0.1725","0.0774","","","0.118","0.1607","","","","","","1.027","","","","has coordinates","270714","2021-11-17","08:29:39",""
"1565279","26.121","0.005","13.885","0.003","15.907","0.003","90","","113.29","0.03","90","","5299","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cl2 N5 O2 Ru -","- C27 H23 Cl2 N5 O2 Ru -","- C216 H184 Cl16 N40 O16 Ru8 -","8","1","","Chrzanowska, Marta; Katafias, Anna; Kozakiewicz, Anna; van Eldik, Rudi","Steric and electronic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl complexes","Inorganica Chimica Acta","2020","504","","119449","","10.1016/j.ica.2020.119449","","","0.71073","MoKα","","0.192","0.1289","","","0.307","0.35","","","","","","1.075","","","","has coordinates,has disorder","270715","2021-11-17","08:35:07",""
"1565280","14.0064","0.0017","11.0364","0.001","16.083","0.002","90","","108.36","0.014","90","","2359.6","0.5","273","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl2 N5 O4 Ru -","- C21 H27 Cl2 N5 O4 Ru -","- C84 H108 Cl8 N20 O16 Ru4 -","4","1","","Chrzanowska, Marta; Katafias, Anna; Kozakiewicz, Anna; van Eldik, Rudi","Steric and electronic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl complexes","Inorganica Chimica Acta","2020","504","","119449","","10.1016/j.ica.2020.119449","","","0.71073","MoKα","","0.0766","0.0441","","","0.0874","0.1","","","","","","1.033","","","","has coordinates","270715","2021-11-17","08:35:07",""
"1565281","9.1764","0.0002","10.2678","0.0002","17.9622","0.0003","80.873","0.001","82.605","0.001","65.372","0.002","1515.29","0.06","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H33 N Ni O P2 -","- C37 H33 N Ni O P2 -","- C74 H66 N2 Ni2 O2 P4 -","2","1","","Madera, Justin; Slattery, Megan; Arman, Hadi D.; Tonzetich, Zachary J.","Suzuki-Miyaura coupling catalyzed by a Ni(II) PNP pincer complex: Scope and mechanistic insights","Inorganica Chimica Acta","2020","504","","119457","","10.1016/j.ica.2020.119457","","x-ray","0.71073","MoKα","","0.033","0.0326","","","0.0775","0.0777","","","","","","1.078","","","","has coordinates","270716","2021-11-17","08:46:36",""
"1565282","11.294","0.002","18.756","0.003","22.036","0.004","92.469","0.007","95.953","0.007","106.944","0.008","4428","1.3","98","","98","","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H76 N2 Ni P2 Si2 -","- C39.5 H76.5 N2 Ni P2 Si2 -","- C158 H306 N8 Ni4 P8 Si8 -","4","2","","Madera, Justin; Slattery, Megan; Arman, Hadi D.; Tonzetich, Zachary J.","Suzuki-Miyaura coupling catalyzed by a Ni(II) PNP pincer complex: Scope and mechanistic insights","Inorganica Chimica Acta","2020","504","","119457","","10.1016/j.ica.2020.119457","","","0.71075","MoKα","","0.0607","0.0411","","","0.0922","0.1014","","","","","","1.032","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565283","8.8591","0.0014","12.524","0.0019","18.721","0.003","98.909","0.005","93.742","0.005","100.491","0.005","2008.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Br3 Cd N9 O8 -","- C36 H38 Br3 Cd N9 O8 -","- C72 H76 Br6 Cd2 N18 O16 -","2","1","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Synthesis, band structure and multi-responsive luminescence sensing behavior of two Cd(II) coordination polymers","Inorganica Chimica Acta","2020","503","","119376","","10.1016/j.ica.2019.119376","","","0.71073","MoKα","","0.0841","0.0469","","","0.0939","0.1054","","","","","","1.005","","","","has coordinates","270717","2021-11-17","08:54:36",""
"1565284","6.996","0.0008","17.1381","0.0019","18.821","0.002","90","","92.923","0.003","90","","2253.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br3 Cd N5 O4 -","- C18 H16 Br3 Cd N5 O4 -","- C72 H64 Br12 Cd4 N20 O16 -","4","1","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Synthesis, band structure and multi-responsive luminescence sensing behavior of two Cd(II) coordination polymers","Inorganica Chimica Acta","2020","503","","119376","","10.1016/j.ica.2019.119376","","","0.71073","MoKα","","0.0774","0.0652","","","0.1695","0.174","","","","","","1.248","","","","has coordinates","270718","2021-11-17","08:56:52",""
"1565285","12.5933","0.0004","13.4143","0.0004","14.0068","0.0004","72.8758","0.0014","70.9283","0.0014","88.9574","0.0015","2129.17","0.11","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl Fe N2 O2 -","- C44 H58 Cl Fe N2 O2 -","- C88 H116 Cl2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0828","0.0544","","","0.1237","0.132","","","","","","1.037","","","","has coordinates,has disorder","270719","2021-11-17","09:19:39",""
"1565286","12.3453","0.0004","13.3179","0.0005","13.9366","0.0005","73.056","0.002","71.766","0.002","88.589","0.002","2076.24","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl Fe N2 O2 -","- C44 H58 Cl Fe N2 O2 -","- C88 H116 Cl2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0761","0.0515","","","0.1092","0.1154","","","","","","1.015","","","","has coordinates,has disorder","270719","2021-11-17","09:19:41",""
"1565287","12.7668","0.0007","13.2659","0.0007","14.083","0.0008","106.411","0.002","110.64","0.002","91.246","0.002","2121.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Br Fe N2 O2 -","- C44 H58 Br Fe N2 O2 -","- C88 H116 Br2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0655","0.0476","","","0.0971","0.1067","","","","","","1.011","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565288","12.8021","0.0006","13.4299","0.0006","14.1357","0.0007","107.09","0.002","109.83","0.002","90.686","0.002","2168.38","0.18","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Br Fe N2 O2 -","- C44 H58 Br Fe N2 O2 -","- C88 H116 Br2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.1198","0.0741","","","0.1433","0.1654","","","","","","1.053","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565289","12.8492","0.0003","13.2254","0.0003","14.1086","0.0003","106.088","0.002","110.111","0.002","92.07","0.002","2140.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Fe I N2 O2 -","- C44 H58 Fe I N2 O2 -","- C88 H116 Fe2 I2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0302","0.0246","","","0.0588","0.061","","","","","","1.064","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565290","12.9953","0.0002","13.3656","0.0002","14.1909","0.0003","106.656","0.002","109.831","0.002","92.029","0.001","2197.17","0.08","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Fe I N2 O2 -","- C44 H58 Fe I N2 O2 -","- C88 H116 Fe2 I2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0372","0.029","","","0.0756","0.0795","","","","","","1.043","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565291","13.1502","0.0008","23.8084","0.0015","13.854","0.0009","90","","104.715","0.0012","90","","4195.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 Fe N5 O2 -","- C44 H58 Fe N5 O2 -","- C176 H232 Fe4 N20 O8 -","4","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0446","0.0359","","","0.0895","0.0927","","","","","","1.026","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565292","13.2287","0.0004","24.0514","0.0007","13.922","0.0004","90","","104.525","0.0013","90","","4288","0.2","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 Fe N5 O2 -","- C44 H58 Fe N5 O2 -","- C176 H232 Fe4 N20 O8 -","4","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0662","0.0483","","","0.1228","0.1295","","","","","","1.047","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565293","20.6169","0.0015","16.3793","0.0012","25.2918","0.0019","90","","103.733","0.0018","90","","8296.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Fe N3 O3 -","- C45 H58 Fe N3 O3 -","- C360 H464 Fe8 N24 O24 -","8","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0767","0.0496","","","0.1152","0.124","","","","","","1.031","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565294","20.6642","0.0017","16.5513","0.0014","25.526","0.002","90","","103.287","0.0019","90","","8496.7","1.2","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Fe N3 O3 -","- C45 H58 Fe N3 O3 -","- C360 H464 Fe8 N24 O24 -","8","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0883","0.0542","","","0.133","0.1453","","","","","","1.04","","","","has coordinates,has disorder","270719","2021-11-17","09:19:42",""
"1565295","20.646","0.002","16.6388","0.0016","25.64","0.003","90","","103.022","0.002","90","","8581.5","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Fe N3 O3 -","- C45 H58 Fe N3 O3 -","- C360 H464 Fe8 N24 O24 -","8","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.093","0.0606","","","0.1593","0.1736","","","","","","1.035","","","","has coordinates,has disorder","270719","2021-11-17","09:19:42",""
"1565296","9.3389","0.0006","10.9278","0.0009","20.7766","0.0011","89.154","0.005","85.906","0.005","71.468","0.007","2005.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 N14 Ni O9 -","- C38 H32 N14 Ni O9 -","- C76 H64 N28 Ni2 O18 -","2","1","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0946","0.0721","","","0.2054","0.2298","","","","","","1.055","","","","has coordinates,has disorder","270720","2021-11-17","09:31:05",""
"1565297","7.5196","0.0002","11.3616","0.0003","13.2177","0.0003","79.327","0.001","83.058","0.001","89.659","0.001","1101.42","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Cu N8 O8 -","- C19 H18 Cu N8 O8 -","- C38 H36 Cu2 N16 O16 -","2","1","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0379","0.0313","","","0.0878","0.0925","","","","","","1.006","","","","has coordinates","270720","2021-11-17","09:31:26",""
"1565298","9.0312","0.0002","10.9975","0.0003","16.3166","0.0005","99.557","0.002","93.746","0.002","106.265","0.002","1523.38","0.07","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cd N9 O9 -","- C22 H24 Cd N9 O9 -","- C44 H48 Cd2 N18 O18 -","2","1","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0457","0.0456","","","0.1299","0.13","","","","","","1.008","","","","has coordinates","270720","2021-11-17","09:31:30",""
"1565299","9.4746","0.0004","13.4468","0.0004","21.0201","0.0006","90","","98.983","0.003","90","","2645.18","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Cd2 N26 O4 -","- C44 H46 Cd2 N26 O4 -","- C88 H92 Cd4 N52 O8 -","2","0.5","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0537","0.0377","","","0.0847","0.0971","","","","","","1","","","","has coordinates","270720","2021-11-17","09:31:34",""
"1565300","7.274","0.0005","8.5854","0.0005","14.5486","0.0011","82.246","0.006","76.509","0.006","81.09","0.005","868.2","0.11","","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N5 Ni O8 -","- C14 H15 N5 Ni O8 -","- C28 H30 N10 Ni2 O16 -","2","1","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0782","0.0746","","","0.1859","0.1881","","","","","","2.1932","","","","has coordinates,has disorder","270722","2021-11-17","09:36:12",""
"1565301","7.9488","0.0007","11.8141","0.0009","10.2189","0.0009","90","","108.275","0.01","90","","911.23","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cu N5 O9 -","- C14 H17 Cu N5 O9 -","- C28 H34 Cu2 N10 O18 -","2","1","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0483","0.0473","","","0.1259","0.1277","","","","","","1.065","","","","has coordinates","270723","2021-11-17","09:37:43",""
"1565302","12.2765","0.0006","15.0985","0.0008","18.1055","0.0007","94.701","0.004","90.228","0.004","90.494","0.004","3344.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cl2 N6 Ni O12 -","- C28 H30 Cl2 N6 Ni O12 -","- C112 H120 Cl8 N24 Ni4 O48 -","4","2","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0694","0.0594","","","0.1607","0.1762","","","","","","1.02","","","","has coordinates,has disorder","270724","2021-11-17","09:39:38",""
"1565303","15.5879","0.0005","7.0707","0.0002","27.3859","0.0009","90","","90","","90","","3018.4","0.16","","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cu2 N8 O2 S2 -","- C30 H24 Cu2 N8 O2 S2 -","- C120 H96 Cu8 N32 O8 S8 -","4","0.5","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0443","0.0404","","","0.106","0.1101","","","","","","1.0988","","","","has coordinates,has disorder","270725","2021-11-17","09:41:16",""
"1565304","7.6525","0.0002","15.2519","0.0004","10.5906","0.0003","90","","90","","90","","1236.08","0.06","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0349","0.0341","","","0.0908","0.0917","","","","","","1.044","","","","has coordinates","270726","2021-11-17","09:42:51",""
"1565305","30.03","0.0006","6.9373","0.0001","18.698","0.0004","90","","91.437","0.002","90","","3894.08","0.13","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 Cd N4 O8 -","- C48 H30 Cd N4 O8 -","- C192 H120 Cd4 N16 O32 -","4","0.5","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0318","0.0309","","","0.087","0.0877","","","","","","1.078","","","","has coordinates","270727","2021-11-17","09:47:12",""
"1565306","29.9077","0.0012","6.8569","0.0003","18.8835","0.0007","90","","93.722","0.004","90","","3864.3","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 Co N4 O8 -","- C48 H30 Co N4 O8 -","- C192 H120 Co4 N16 O32 -","4","0.5","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0547","0.0517","","","0.1414","0.1448","","","","","","1.047","","","","has coordinates","270728","2021-11-17","09:48:18",""
"1565307","30.6585","0.0009","6.7749","0.0002","18.7891","0.0005","90","","93.895","0.003","90","","3893.64","0.19","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 N4 O8 Zn -","- C48 H30 N4 O8 Zn -","- C192 H120 N16 O32 Zn4 -","4","0.5","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0502","0.0452","","","0.1345","0.1403","","","","","","1.06","","","","has coordinates","270729","2021-11-17","09:49:36",""
"1565308","18.5222","0.0004","17.8724","0.0004","7.093","0.0002","90","","100.078","0.002","90","","2311.81","0.1","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 Ni O6 -","- C24 H18 N2 Ni O6 -","- C96 H72 N8 Ni4 O24 -","4","1","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0633","0.0562","","","0.1557","0.1633","","","","","","1.044","","","","has coordinates","270730","2021-11-17","09:50:37",""
"1565309","17.664","0.002","19.9347","0.0015","13.9132","0.001","90","","126.815","0.009","90","","3922.2","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br2 Co N2 S2 -","- C18 H16 Br2 Co N2 S2 -","- C144 H128 Br16 Co8 N16 S16 -","8","1","","Liu, Wei-Xia; Xie, Zhen-Lang; Zhan, Jun-Zheng; Zhan, Shu-Zhong; Wu, Song-Ping","Synthesis, characterization, magnetic anisotropy and catalytic behaviors of a cobalt complex of S,S′-bis(2-pyridylmethyl)-1,2-thiobenzene","Inorganica Chimica Acta","2020","503","","119400","","10.1016/j.ica.2019.119400","","","0.71073","MoKα","","0.1488","0.064","","","0.1236","0.171","","","","","","0.88","","","","has coordinates","270731","2021-11-17","10:10:02",""
"1565310","16.046","0.0003","11.62451","0.00018","11.1879","0.0002","90","","97.8025","0.0019","90","","2067.52","0.06","119.97","0.17","119.97","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 Mo N O6 -","- C19 H29 Mo N O6 -","- C76 H116 Mo4 N4 O24 -","4","1","","Salonen, Pasi; Peuronen, Anssi; Lehtonen, Ari","Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand","Inorganica Chimica Acta","2020","503","","119414","","10.1016/j.ica.2020.119414","","x-ray","0.71073","MoKα","","0.0301","0.0251","","","0.0613","0.0643","","","","","","1.044","","","","has coordinates","270732","2021-11-17","10:19:42",""
"1565311","19.6296","0.0006","9.2339","0.0002","11.4363","0.0004","90","","95.334","0.003","90","","2063.94","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 N O7 W -","- C19 H31 N O7 W -","- C76 H124 N4 O28 W4 -","4","1","","Salonen, Pasi; Peuronen, Anssi; Lehtonen, Ari","Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand","Inorganica Chimica Acta","2020","503","","119414","","10.1016/j.ica.2020.119414","","x-ray","1.54184","CuKα","","0.0494","0.04","","","0.1015","0.1107","","","","","","1.058","","","","has coordinates","270732","2021-11-17","10:19:53",""
"1565312","16.5881","0.0005","11.6102","0.0003","12.0429","0.0003","90","","109.853","0.003","90","","2181.51","0.11","119.98","0.13","119.98","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 N4 O10 V2 -","- C42 H62 N4 O10 V2 -","- C84 H124 N8 O20 V4 -","2","0.5","","Salonen, Pasi; Peuronen, Anssi; Lehtonen, Ari","Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand","Inorganica Chimica Acta","2020","503","","119414","","10.1016/j.ica.2020.119414","","x-ray","0.71073","MoKα","","0.0448","0.0364","","","0.0867","0.0931","","","","","","1.033","","","","has coordinates","270732","2021-11-17","10:19:57",""
"1565341","11.8079","0.0013","20.321","0.0016","23.0739","0.0014","90","","90","","90","","5536.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H24 Cl2 Hg N4 -","- C33 H24 Cl2 Hg N4 -","- C264 H192 Cl16 Hg8 N32 -","8","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.1044","0.0772","","","0.116","0.1236","","","","","","1.305","","","","has coordinates","270796","2021-11-22","10:10:37",""
"1565342","8.6923","0.0008","12.1251","0.0011","17.5157","0.0018","73.766","0.004","80.338","0.004","77.144","0.004","1717","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.25 H25.25 Cl5.75 Hg N4 -","- C34.25 H25.25 Cl5.75 Hg N4 -","- C68.5 H50.5 Cl11.5 Hg2 N8 -","2","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.0836","0.0482","","","0.0981","0.1065","","","","","","1.049","","","","has coordinates","270797","2021-11-22","10:11:43",""
"1565343","13.7385","0.0013","21.0792","0.0015","22.193","0.0017","104.522","0.005","99.993","0.004","108.605","0.004","5666.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H74 Cd2 Cl6 I4 N8 -","- C104 H74 Cd2 Cl6 I4 N8 -","- C208 H148 Cd4 Cl12 I8 N16 -","2","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.1453","0.0952","","","0.2288","0.2586","","","","","","1.058","","","","has coordinates,has disorder","270798","2021-11-22","10:12:56",""
"1565344","12.669","0.002","20.792","0.003","21.234","0.003","90","","104.749","0.005","90","","5409","1.4","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C105 H75 Cl13 Hg2 N8 -","- C105 H75 Cl13 Hg2 N8 -","- C210 H150 Cl26 Hg4 N16 -","2","0.5","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.199","0.0868","","","0.21","0.2608","","","","","","1.096","","","","has coordinates","270799","2021-11-22","10:14:01",""
"1565347","17.2741","0.0005","20.8585","0.0005","27.3924","0.0008","90","","95.259","0.002","90","","9828.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cl18 O12 P2 Pt12 Sn10 -","- C58 H42 Cl18 O12 P2 Pt12 Sn10 -","- C232 H168 Cl72 O48 P8 Pt48 Sn40 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0482","0.0398","","","0.1102","0.1173","","","","","","1.036","","","","has coordinates","270824","2021-11-23","09:29:48",""
"1565348","12.3993","0.0013","13.856","0.0015","14.3072","0.0015","67.521","0.002","75.474","0.002","76.359","0.002","2171.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","1","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0507","0.0401","","","0.0807","0.0839","","","","","","1.089","","","","has coordinates,has disorder","270824","2021-11-23","09:29:59",""
"1565349","12.3712","0.0013","13.8323","0.0015","14.2847","0.0016","67.506","0.002","75.358","0.002","76.354","0.002","2158.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","1","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0466","0.0421","","","0.1168","0.1194","","","","","","1.113","","","","has coordinates,has disorder","270824","2021-11-23","09:30:03",""
"1565350","11.7995","0.0006","12.4409","0.0006","13.599","0.0007","64.707","0.002","71.374","0.002","71.958","0.002","1675.04","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H20 Br7 O P Pt Sn2 -","- C25 H20 Br7 O P Pt Sn2 -","- C50 H40 Br14 O2 P2 Pt2 Sn4 -","2","1","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0543","0.0417","","","0.0951","0.0997","","","","","","1.074","","","","has coordinates","270824","2021-11-23","09:30:12",""
"1565351","22.1246","0.0016","13.9666","0.001","18.0304","0.0014","90","","110.363","0.002","90","","5223.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Br6 O2 P2 Pt2 Sn -","- C50 H40 Br6 O2 P2 Pt2 Sn -","- C200 H160 Br24 O8 P8 Pt8 Sn4 -","4","1","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0546","0.043","","","0.1009","0.107","","","","","","1.058","","","","has coordinates","270824","2021-11-23","09:30:15",""
"1565352","23.799","0.004","18.965","0.003","18.185","0.003","90","","106.348","0.002","90","","7876","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H70 Co3 N18 O54 Ti4 -","- C24 H70 Co3 N18 O54 Ti4 -","- C96 H280 Co12 N72 O216 Ti16 -","4","0.5","","Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y.","Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes","Inorganica Chimica Acta","2020","503","","119429","","10.1016/j.ica.2020.119429","","","0.71073","MoKα","","0.0555","0.0512","","","0.1576","0.164","","","","","","1.041","","","","has coordinates","270825","2021-11-23","09:39:35",""
"1565353","20.476","0.001","20.476","0.001","20.476","0.001","90","","90","","90","","8584.9","0.7","294","1","294","1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C18 H51 Na5 O39.5 Ti -","- C18 H51 Na5 O39.5 Ti -","- C144 H408 Na40 O316 Ti8 -","8","0.333333","","Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y.","Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes","Inorganica Chimica Acta","2020","503","","119429","","10.1016/j.ica.2020.119429","","","0.71073","MoKα","","0.0738","0.0733","","","0.1539","0.1542","","","","","","1.366","","","","has coordinates","270825","2021-11-23","09:39:39",""
"1565354","9.9638","0.0006","17.024","0.005","18.5358","0.0006","90","","94.962","0.003","90","","3132.3","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H20 Co2 O11 -","- C29 H20 Co2 O11 -","- C58 H40 Co4 O22 -","2","1","","Yu, Hongjun; Li, Heng; Zhang, Qiang; Shao, Yue; Wang, Yong-Ji","Porous Co-MOF for cyanosilylation reaction and protective effect in child bronchial pneumonia by reducing the inflammatory response and IL-12 production in immune cells","Inorganica Chimica Acta","2020","503","","119426","","10.1016/j.ica.2020.119426","","","0.71073","MoKα","","0.0966","0.0597","","","0.1409","0.1577","","","","","","0.967","","","","has coordinates","270826","2021-11-23","09:43:37",""
"1565355","11.061","0.005","11.877","0.005","12.695","0.005","111.17","0.02","90.31","0.02","90.25","0.02","1555.2","1.2","144","2","144.36","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H14 Cu F15 N4 O4 -","- C29 H14 Cu F15 N4 O4 -","- C58 H28 Cu2 F30 N8 O8 -","2","1","","Sidharth, Thulaseedharan Nair Sailaja; Nasani, Rajendar; Gupta, Arindam; Sooraj, Bhuvanachandran Nair Sreekala; Roy, Subhadip; Mondal, Arpan; Konar, Sanjit","Reversal of magnetic exchange coupling between copper(II) and Blatter radical depending on the coordination environment","Inorganica Chimica Acta","2020","503","","119395","","10.1016/j.ica.2019.119395","","","0.71073","MoKα","","0.0696","0.0419","","","0.0745","0.0826","","","","","","1.025","","","","has coordinates,has disorder","270827","2021-11-23","09:58:40",""
"1565356","8.4593","0.0006","28.734","0.002","16.6377","0.0012","90","","92.042","0.003","90","","4041.5","0.5","140","2","140","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cl2 Cu F6 N8 O9 -","- C39 H28 Cl2 Cu F6 N8 O9 -","- C156 H112 Cl8 Cu4 F24 N32 O36 -","4","1","","Sidharth, Thulaseedharan Nair Sailaja; Nasani, Rajendar; Gupta, Arindam; Sooraj, Bhuvanachandran Nair Sreekala; Roy, Subhadip; Mondal, Arpan; Konar, Sanjit","Reversal of magnetic exchange coupling between copper(II) and Blatter radical depending on the coordination environment","Inorganica Chimica Acta","2020","503","","119395","","10.1016/j.ica.2019.119395","","","0.71073","MoKα","","0.0936","0.0637","","","0.1437","0.1596","","","","","","1.056","","","","has coordinates,has disorder","270827","2021-11-23","09:58:43",""
"1565357","7.5503","0.0006","14.6538","0.0012","17.5447","0.0014","90","","90.498","0.004","90","","1941.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl F3 Ge N2 O5 S -","- C15 H16 Cl F3 Ge N2 O5 S -","- C60 H64 Cl4 F12 Ge4 N8 O20 S4 -","4","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","1.54178","CuKα","","0.0682","0.0562","","","0.149","0.1579","","","","","","1.136","","","","has coordinates","270828","2021-11-23","10:05:09",""
"1565358","27.431","0.005","9.877","0.0016","15.399","0.003","90","","106.732","0.008","90","","3995.5","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl F3 Ge N2 O3 S5 -","- C13 H14 Cl F3 Ge N2 O3 S5 -","- C104 H112 Cl8 F24 Ge8 N16 O24 S40 -","8","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","1.54178","CuKα","","0.0985","0.0834","","","0.2334","0.2494","","","","","","1.015","","","","has coordinates","270829","2021-11-23","10:06:25",""
"1565359","9.1114","0.0015","12.41","0.002","17.681","0.003","87.173","0.004","83.722","0.005","80.784","0.004","1960.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Au Cl N2 O P2 -","- C44 H42 Au Cl N2 O P2 -","- C88 H84 Au2 Cl2 N4 O2 P4 -","2","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","0.71073","MoKα","","0.0364","0.029","","","0.0618","0.0651","","","","","","0.905","","","","has coordinates","270830","2021-11-23","10:07:57",""
"1565360","14.874","0.003","33.097","0.007","9.015","0.0018","90","","90","","90","","4437.9","1.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H50 Au2 Cl2 N2 O2 P2 -","- C40 H34 Au2 Cl2 N2 P2 -","- C160 H136 Au8 Cl8 N8 P8 -","4","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","1.54178","CuKα","","0.0311","0.0307","","","0.0803","0.0813","","","","","","0.967","","","","has coordinates","270831","2021-11-23","10:08:54",""
"1565361","15.8268","0.0006","15.872","0.0006","15.2418","0.0005","90","","118.762","0.002","90","","3356.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl N2 O7 Re -","- C38 H32 Cl N2 O7 Re -","- C152 H128 Cl4 N8 O28 Re4 -","4","1","","Roell, Sarah A.; Schrage, Briana R.; Ziegler, Christopher J.; White, Travis A.","Isolating substituent effects in Re(I)-phenanthroline electrocatalysts for CO2 reduction","Inorganica Chimica Acta","2020","503","","119397","","10.1016/j.ica.2019.119397","","","0.71073","MoKα","","0.0732","0.0442","","","0.0714","0.0869","","","","","","1.013","","","","has coordinates","270832","2021-11-23","10:12:15",""
"1565362","8.047","0.004","19.209","0.009","20.079","0.009","90","","99.711","0.009","90","","3059","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 Cl N3 O7 Re -","- C33 H27 Cl N3 O7 Re -","- C132 H108 Cl4 N12 O28 Re4 -","4","1","","Roell, Sarah A.; Schrage, Briana R.; Ziegler, Christopher J.; White, Travis A.","Isolating substituent effects in Re(I)-phenanthroline electrocatalysts for CO2 reduction","Inorganica Chimica Acta","2020","503","","119397","","10.1016/j.ica.2019.119397","","","0.71073","MoKα","","0.0349","0.0265","","","0.0546","0.0578","","","","","","1.048","","","","has coordinates","270833","2021-11-23","10:13:13",""
"1565363","18.434","0.016","15.399","0.013","21.478","0.018","90","","96.91","0.03","90","","6053","9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H73 Cl2 Cu4 N9 O21 -","- C49 H69 Cl2 Cu4 N9 O21 -","- C196 H276 Cl8 Cu16 N36 O84 -","4","1","","Basak, Dipmalya; Ray, Debashis","Metal ion substitution and aldehyde exchange for CuII4 aggregates from two types of piperazine-based Schiff base ligands: Synthesis, X-ray structures, magnetic studies and theoretical validation","Inorganica Chimica Acta","2020","503","","119439","","10.1016/j.ica.2020.119439","","","0.71073","MoKα","","0.1486","0.091","","","0.2714","0.3259","","","","","","1.129","","","","has coordinates,has disorder","270834","2021-11-23","10:20:02",""
"1565364","19.428","0.004","15.988","0.004","19.713","0.004","90","","100.409","0.007","90","","6022","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H75 Cl2 Cu4 N9 O22 -","- C51 H73 Cl2 Cu4 N9 O22 -","- C204 H292 Cl8 Cu16 N36 O88 -","4","1","","Basak, Dipmalya; Ray, Debashis","Metal ion substitution and aldehyde exchange for CuII4 aggregates from two types of piperazine-based Schiff base ligands: Synthesis, X-ray structures, magnetic studies and theoretical validation","Inorganica Chimica Acta","2020","503","","119439","","10.1016/j.ica.2020.119439","","","0.71073","MoKα","","0.1787","0.0873","","","0.217","0.2794","","","","","","1.019","","","","has coordinates,has disorder","270834","2021-11-23","10:20:03",""
"1565365","43.2037","0.0008","12.3001","0.0002","29.4907","0.0005","90","","101.214","0.002","90","","15372.4","0.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H0 K15.3 N0 Nb10 O160.9 P4 W26 -","- K15.3 Nb10 O160.9 P4 W26 -","- K61.2 Nb40 O643.6 P16 W104 -","4","0.5","","Shmakova, Alexandra A.; Sukhikh, Taisiya S.; Volchek, Victoria V.; Yanshole, Vadim; Stass, Dmitri V.; Filatov, Eugeniy Yu.; Glebov, Eugeniy M.; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by {P2W12} polyoxoanion with [NbO(C2O4)2(H2O)2]− as Nb source","Inorganica Chimica Acta","2020","502","","119319","","10.1016/j.ica.2019.119319","","","0.71073","MoKα","","0.0619","0.0415","","","0.0998","0.112","","","","","","1.034","","","","has coordinates","270835","2021-11-23","10:39:48",""
"1565366","13.5004","0.0003","23.0057","0.0008","27.1162","0.0008","100.927","0.003","96.488","0.002","105.419","0.002","7851.9","0.4","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H42 K0.5 N6.8 Nb6 O138.4 P4 W30 -","- C14 H42 K0.5 N6.8 Nb6 O138.4 P4 W30 -","- C28 H84 K N13.6 Nb12 O276.8 P8 W60 -","2","1","","Shmakova, Alexandra A.; Sukhikh, Taisiya S.; Volchek, Victoria V.; Yanshole, Vadim; Stass, Dmitri V.; Filatov, Eugeniy Yu.; Glebov, Eugeniy M.; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by {P2W12} polyoxoanion with [NbO(C2O4)2(H2O)2]− as Nb source","Inorganica Chimica Acta","2020","502","","119319","","10.1016/j.ica.2019.119319","","","0.71073","MoKα","","0.1504","0.0789","","","0.1956","0.2235","","","","","","1.085","","","","has coordinates,has disorder","270835","2021-11-23","10:39:50",""
"1565367","19.5879","0.0012","21.9143","0.0013","18.3017","0.0011","90","","90","","90","","7856.1","0.8","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C16 N8 Nb6.4 O144.78 P4 W29.6 -","- C16 N8 Nb6.4 O144.78 P4 W29.6 -","- C32 N16 Nb12.8 O289.56 P8 W59.2 -","2","0.25","","Shmakova, Alexandra A.; Sukhikh, Taisiya S.; Volchek, Victoria V.; Yanshole, Vadim; Stass, Dmitri V.; Filatov, Eugeniy Yu.; Glebov, Eugeniy M.; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by {P2W12} polyoxoanion with [NbO(C2O4)2(H2O)2]− as Nb source","Inorganica Chimica Acta","2020","502","","119319","","10.1016/j.ica.2019.119319","","","0.71073","MoKα","","0.048","0.034","","","0.08","0.0904","","","","","","1.101","","","","has coordinates","270835","2021-11-23","10:39:50",""
"1565387","12.695","0.004","14.854","0.004","21.447","0.003","90","","102.49","0.02","90","","3948.6","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H114 Mn2 N4 O10 -","- C82 H114 Mn2 N4 O10 -","- C164 H228 Mn4 N8 O20 -","2","0.5","","Zolotukhin, Alexey A.; Bubnov, Michael P.; Bogomyakov, Artem S.; Cherkasov, Anton V.; Fukin, Georgy; Cherkasov, Vladimir K.","Binuclear iminopyridine-bridged 3d late transition metal complexes with o-semiquinones","Inorganica Chimica Acta","2020","502","","119346","","10.1016/j.ica.2019.119346","","","0.71073","MoKα","","0.1409","0.0721","","","0.1042","0.1244","","","","","","1","","","","has coordinates","270850","2021-11-24","09:12:29",""
"1565388","10.1147","0.0004","13.3341","0.0006","17.7612","0.0005","89.399","0.003","80.523","0.003","74.561","0.004","2276.1","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H126 Co2 N4 O8 -","- C102 H126 Co2 N4 O8 -","- C102 H126 Co2 N4 O8 -","1","0.5","","Zolotukhin, Alexey A.; Bubnov, Michael P.; Bogomyakov, Artem S.; Cherkasov, Anton V.; Fukin, Georgy; Cherkasov, Vladimir K.","Binuclear iminopyridine-bridged 3d late transition metal complexes with o-semiquinones","Inorganica Chimica Acta","2020","502","","119346","","10.1016/j.ica.2019.119346","","","0.71073","MoKα","","0.1022","0.065","","","0.1601","0.187","","","","","","1.04","","","","has coordinates,has disorder","270851","2021-11-24","09:14:12",""
"1565389","7.082","0.006","12.394","0.01","13.144","0.01","107.93","0.02","101.94","0.02","93.81","0.02","1063.4","1.5","302","2","302","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Br3 N4 Ni O S -","- C18 H15 Br3 N4.04 Ni O S -","- C36 H30 Br6 N8.08 Ni2 O2 S2 -","2","1","","Şahin, Musa; Eğlence-Bakır, Songül; Alpay, Merve; Alpay, Selin; Özmerdivenli, Recep; Ülküseven, Bahri","Effective copper(II) and nickel(II) complexes with N3O and ON3 thiosemicarbazidato ligands. Synthesis, structural analysis and in vitro cytotoxity on melanoma B16F10 cells","Inorganica Chimica Acta","2020","502","","119347","","10.1016/j.ica.2019.119347","","","0.71073","MoKα","","0.3234","0.1265","","","0.2879","0.3827","","","","","","0.971","","","","has coordinates","270852","2021-11-24","09:39:51",""
"1565390","18.8339","0.0003","8.7397","0.0001","25.4167","0.0003","90","","90","","90","","4183.66","0.1","293.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br2 Cu N4 O2 S -","- C19 H18 Br2 Cu N4 O2 S -","- C152 H144 Br16 Cu8 N32 O16 S8 -","8","1","","Şahin, Musa; Eğlence-Bakır, Songül; Alpay, Merve; Alpay, Selin; Özmerdivenli, Recep; Ülküseven, Bahri","Effective copper(II) and nickel(II) complexes with N3O and ON3 thiosemicarbazidato ligands. Synthesis, structural analysis and in vitro cytotoxity on melanoma B16F10 cells","Inorganica Chimica Acta","2020","502","","119347","","10.1016/j.ica.2019.119347","","","0.7107","MoKα","","","0.112","","","","0.098","","","","","","0.83","","","","has coordinates","270853","2021-11-24","09:41:57",""
"1565391","51.152","0.006","8.1787","0.0009","11.5466","0.0013","90","","95.673","0.001","90","","4806.9","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O4 Pb -","- C26 H20 N6 O4 Pb -","- C208 H160 N48 O32 Pb8 -","8","2","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Qu, Fengrui; Gupta, Arunava; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","Supramolecular architecture constructed from the hemidirected lead(II) complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide","Inorganica Chimica Acta","2020","502","","119350","","10.1016/j.ica.2019.119350","","","0.71073","MoKα","","0.0415","0.0331","","","0.0591","0.0613","","","","","","1.233","","","","has coordinates","270854","2021-11-24","09:46:49",""
"1565392","6.698","0.003","9.659","0.004","13.379","0.006","110.387","0.006","95.185","0.006","92.835","0.007","805","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","","Nwachukwu, Chideraa I.; Bosch, Eric","Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)","Inorganica Chimica Acta","2020","502","","119328","","10.1016/j.ica.2019.119328","","","0.71073","MoKα","","0.1278","0.0648","","","0.1648","0.2067","","","","","","0.994","","","","has coordinates","270855","2021-11-24","09:52:29",""
"1565393","11.142","0.0007","27.3615","0.0017","7.4271","0.0005","90","","95.878","0.001","90","","2252.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl2 N3 O2 Pd -","- C20 H15 Cl2 N3 O2 Pd -","- C80 H60 Cl8 N12 O8 Pd4 -","4","1","","Nwachukwu, Chideraa I.; Bosch, Eric","Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)","Inorganica Chimica Acta","2020","502","","119328","","10.1016/j.ica.2019.119328","","","0.71073","MoKα","","0.0503","0.0446","","","0.0996","0.102","","","","","","1.146","","","","has coordinates","270855","2021-11-24","09:52:29",""
"1565394","53.94","0.02","6.826","0.003","24.457","0.009","90","","93.972","0.004","90","","8983","6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H15 Ag F3 N3 O2 S -","- C20.5 H15 Ag F1.5 N3 O3.5 S0.5 -","- C328 H240 Ag16 F24 N48 O56 S8 -","16","4","","Nwachukwu, Chideraa I.; Bosch, Eric","Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)","Inorganica Chimica Acta","2020","502","","119328","","10.1016/j.ica.2019.119328","","","0.71073","MoKα","","0.181","0.1159","","","0.2903","0.3346","","","","","","1.044","","","","has coordinates","270855","2021-11-24","09:52:29",""
"1565395","14.443","0.005","27.216","0.002","24.311","0.008","90","","108.8","0.03","90","","9046","5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H68 Cu4 N8 O20 -","- C100 H68 Cu4 N8 O20 -","- C400 H272 Cu16 N32 O80 -","4","1","","Dong, Mengwei; Lu, Lu; Tan, Xueyan; An, Baichao; Singh, Ayushi; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Syntheses and photocatalytic properties of two new d10- and d9-based 2D coordination polymers","Inorganica Chimica Acta","2020","502","","119334","","10.1016/j.ica.2019.119334","","","0.71073","MoKα","","0.1082","0.0622","","","0.1572","0.1931","","","","","","1.038","","","","has coordinates,has disorder","270856","2021-11-24","10:00:25",""
"1565396","32.984","0.006","11.556","0.002","15.213","0.003","90","","90","","90","","5798.6","1.9","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C25 H23 N4 O5 Zn -","- C25 H23 N4 O5 Zn -","- C200 H184 N32 O40 Zn8 -","8","1","","Dong, Mengwei; Lu, Lu; Tan, Xueyan; An, Baichao; Singh, Ayushi; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Syntheses and photocatalytic properties of two new d10- and d9-based 2D coordination polymers","Inorganica Chimica Acta","2020","502","","119334","","10.1016/j.ica.2019.119334","","","0.71073","MoKα","","0.1219","0.0583","","","0.1335","0.144","","","","","","1.016","","","","has coordinates","270856","2021-11-24","10:00:31",""
"1565397","6.0165","0.0004","12.7136","0.0007","10.4535","0.0007","90","","106.671","0.007","90","","765.99","0.09","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 Cl2 Cu N2 -","- C12 H12 Br2 Cl2 Cu N2 -","- C24 H24 Br4 Cl4 Cu2 N4 -","2","0.5","","Adonin, Sergey A.; Novikov, Alexander S.; Chernova, Katerina V.; Vinnik, Denis A.; Taskaev, Sergey V.; Korolkov, Ilya V.; Ilyina, Ekaterina V.; Pavlov, Alexander A.; Novikov, Valentin V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Heteroleptic copper(II) complexes with 2-bromo-5-methylpyridine: Structures, features of non-covalent interactions and magnetic behavior","Inorganica Chimica Acta","2020","502","","119333","","10.1016/j.ica.2019.119333","","","0.71073","MoKα","","0.033","0.0267","","","0.0558","0.0585","","","","","","1.042","","","","has coordinates","270857","2021-11-24","10:20:26",""
"1565398","6.1145","0.0004","12.9037","0.0007","10.6274","0.0008","90","","106.482","0.008","90","","804.04","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br4 Cu N2 -","- C12 H12 Br4 Cu N2 -","- C24 H24 Br8 Cu2 N4 -","2","0.5","","Adonin, Sergey A.; Novikov, Alexander S.; Chernova, Katerina V.; Vinnik, Denis A.; Taskaev, Sergey V.; Korolkov, Ilya V.; Ilyina, Ekaterina V.; Pavlov, Alexander A.; Novikov, Valentin V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Heteroleptic copper(II) complexes with 2-bromo-5-methylpyridine: Structures, features of non-covalent interactions and magnetic behavior","Inorganica Chimica Acta","2020","502","","119333","","10.1016/j.ica.2019.119333","","","0.71073","MoKα","","0.0244","0.0201","","","0.0468","0.0488","","","","","","1.064","","","","has coordinates","270857","2021-11-24","10:20:31",""
"1565411","9.2039","0.0013","11.6656","0.0015","11.9723","0.0016","93.077","0.01","97.624","0.01","105.547","0.009","1222.1","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 B Br2 F2 N5 O -","- C23 H24 B Br2 F2 N5 O -","- C46 H48 B2 Br4 F4 N10 O2 -","2","1","","Şenkuytu, Elif; Okutan, Elif; Tanrıverdi Eçik, Esra","Cyclotriphosphazene-BODIPY Dyads: Synthesis, halogen atom effect on the photophysical and singlet oxygen generation properties","Inorganica Chimica Acta","2020","502","","119342","","10.1016/j.ica.2019.119342","","","0.71073","MoKα","","0.1048","0.0556","","","0.1186","0.1406","","","","","","1.026","","","","has coordinates","270903","2021-11-29","09:00:56",""
"1565412","7.0168","0.0005","21.0977","0.0014","17.3103","0.0014","90","","92.35","0.005","90","","2560.4","0.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 B F2 I2 N5 O -","- C23 H24 B F2 I2 N5 O -","- C92 H96 B4 F8 I8 N20 O4 -","4","1","","Şenkuytu, Elif; Okutan, Elif; Tanrıverdi Eçik, Esra","Cyclotriphosphazene-BODIPY Dyads: Synthesis, halogen atom effect on the photophysical and singlet oxygen generation properties","Inorganica Chimica Acta","2020","502","","119342","","10.1016/j.ica.2019.119342","","","0.71073","MoKα","","0.0969","0.0695","","","0.1873","0.2142","","","","","","1.046","","","","has coordinates","270903","2021-11-29","09:01:00",""
"1565413","11.3536","0.0003","12.1823","0.0003","14.2259","0.0004","94.986","0.002","103.496","0.002","101.309","0.002","1857.89","0.09","290.8","0.3","290.8","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Dy2 N6 O16 -","- C36 H26 Dy2 N6 O16 -","- C72 H52 Dy4 N12 O32 -","2","1","","Li, Rong-fang; Zhang, Ya-wen; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","The synthesis, structural elucidation and fluorescent sensitization detection to Hg2+ based on two lanthanide-organic complexes","Inorganica Chimica Acta","2020","502","","119370","","10.1016/j.ica.2019.119370","","x-ray","0.71073","MoKα","","0.0475","0.0346","","","0.0675","0.0722","","","","","","1.021","","","","has coordinates","270904","2021-11-29","09:06:12",""
"1565414","11.3664","0.0004","12.1986","0.0004","14.2543","0.0005","95.074","0.003","103.481","0.003","101.049","0.003","1867.9","0.12","293.2","0.3","293.2","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O16 Tb2 -","- C36 H26 N6 O16 Tb2 -","- C72 H52 N12 O32 Tb4 -","2","1","","Li, Rong-fang; Zhang, Ya-wen; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","The synthesis, structural elucidation and fluorescent sensitization detection to Hg2+ based on two lanthanide-organic complexes","Inorganica Chimica Acta","2020","502","","119370","","10.1016/j.ica.2019.119370","","x-ray","0.71073","MoKα","","0.0337","0.0277","","","0.0556","0.0582","","","","","","1.028","","","","has coordinates","270905","2021-11-29","09:07:40",""
"1565415","7.85","0.004","9.393","0.005","10.296","0.005","93.987","0.009","105.094","0.008","113.695","0.014","658","0.6","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Ag2 F6 N4 O6 -","- C28 H16 Ag2 F6 N4 O6 -","- C28 H16 Ag2 F6 N4 O6 -","1","0.5","","Đurić, Sonja Ž.; Mojicevic, Marija; Vojnovic, Sandra; Wadepohl, Hubert; Andrejević, Tina P.; Stevanović, Nevena Lj.; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.; Glišić, Biljana Đ.","Silver(I) complexes with 1,10-phenanthroline-based ligands: The influence of epoxide function on the complex structure and biological activity","Inorganica Chimica Acta","2020","502","","119357","","10.1016/j.ica.2019.119357","","x-ray","0.71073","MoKα","K-L~2,3~","0.0263","0.0224","","","0.0547","0.0567","","","","","","1.071","","","","has coordinates,has disorder","270906","2021-11-29","09:28:57",""
"1565416","17.3139","0.0011","15.705","0.0006","25.6489","0.0014","90","","116.204","0.004","90","","6257.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 N8 O5 P2 Ru S3 -","- C62 H66 N8 O5 P2 Ru S3 -","- C248 H264 N32 O20 P8 Ru4 S12 -","4","1","","Bal-Demirci, Tülay; Güveli, Şükriye; Yeşilyurt, Saffet; Özdemir, Namık; Ülküseven, Bahri","Thiosemicarbazone ligand, nickel(II) and ruthenium(II) complexes based on vitamin B6 vitamer: The synthesis, different coordination behaviors and antioxidant activities","Inorganica Chimica Acta","2020","502","","119335","","10.1016/j.ica.2019.119335","","","0.71073","MoKα","","0.1472","0.088","","","0.2069","0.2379","","","","","","1.081","","","","has coordinates,has disorder","270907","2021-11-29","09:35:59",""
"1565417","10.6911","0.0006","11.9258","0.0007","13.3857","0.0008","67.345","0.004","74.426","0.005","84.278","0.005","1517.15","0.16","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H32 Cl N4 Ni O3 P S -","- C30 H32 Cl N4 Ni O3 P S -","- C60 H64 Cl2 N8 Ni2 O6 P2 S2 -","2","1","","Bal-Demirci, Tülay; Güveli, Şükriye; Yeşilyurt, Saffet; Özdemir, Namık; Ülküseven, Bahri","Thiosemicarbazone ligand, nickel(II) and ruthenium(II) complexes based on vitamin B6 vitamer: The synthesis, different coordination behaviors and antioxidant activities","Inorganica Chimica Acta","2020","502","","119335","","10.1016/j.ica.2019.119335","","","0.71073","MoKα","","0.0456","0.0345","","","0.094","0.0982","","","","","","1.048","","","","has coordinates","270907","2021-11-29","09:36:02",""
"1565418","5.7232","0.0011","23.191","0.005","13.045","0.003","90","","102.583","0.007","90","","1689.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Fe N3 O -","- C20 H19 Fe N3 O -","- C80 H76 Fe4 N12 O4 -","4","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","0.71073","MoKα","","0.0372","0.0304","","","0.0702","0.0725","","","","","","1.046","","","","has coordinates","270908","2021-11-29","09:41:32",""
"1565419","21.858","0.004","7.8241","0.0014","10.398","0.002","90","","94.015","0.007","90","","1773.9","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N4 O3 -","- C20 H18 Fe N4 O3 -","- C80 H72 Fe4 N16 O12 -","4","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","0.71073","MoKα","","0.033","0.0295","","","0.0734","0.0755","","","","","","1.072","","","","has coordinates","270909","2021-11-29","09:43:55",""
"1565420","5.5889","0.0014","31.929","0.009","10.698","0.004","90","","90.976","0.01","90","","1908.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Fe N4 O4 -","- C21 H18 Fe N4 O4 -","- C84 H72 Fe4 N16 O16 -","4","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","1.54178","CuKα","","0.2407","0.1514","","","0.3704","0.4328","","","","","","1.799","","","","has coordinates","270910","2021-11-29","09:45:02",""
"1565421","12.137","0.003","12.766","0.002","13.384","0.003","98.257","0.007","114.876","0.007","104.537","0.007","1746.2","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 Cl2 Fe2 N6 O4 -","- C37 H34 Cl2 Fe2 N6 O4 -","- C74 H68 Cl4 Fe4 N12 O8 -","2","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","0.71073","MoKα","","0.0606","0.056","","","0.1512","0.156","","","","","","1.028","","","","has coordinates,has disorder","270911","2021-11-29","09:46:11",""
"1565434","19.145","0.001","19.145","0.001","12.039","0.001","90","","90","","120","","3821.5","0.4","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C30 H27 Bi Fe3 -","- C30 H27 Bi Fe3 -","- C180 H162 Bi6 Fe18 -","6","0.333333","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.032","0.0274","","","0.0611","0.0626","","","","","","0.97","","","","has coordinates","270927","2021-11-30","09:01:31",""
"1565435","8.8561","0.0004","11.069","0.0004","19.8591","0.0009","90","","90","","90","","1946.75","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Bi Cl Fe N -","- C20 H23 Bi Cl Fe N -","- C80 H92 Bi4 Cl4 Fe4 N4 -","4","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.1112","0.0657","","","0.1598","0.1829","","","","","","1.043","","","","has coordinates","270928","2021-11-30","09:03:07",""
"1565436","22.8529","0.0009","8.5824","0.0003","13.2762","0.0005","90","","104.604","0.001","90","","2519.77","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Bi Fe O2 -","- C30 H25 Bi Fe O2 -","- C120 H100 Bi4 Fe4 O8 -","4","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0834","0.0398","","","0.0603","0.0714","","","","","","1.025","","","","has coordinates","270929","2021-11-30","09:04:30",""
"1565437","23.0691","0.0007","8.5999","0.0002","13.9287","0.0004","90","","107.263","0.001","90","","2638.86","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Bi Fe N0 O2 -","- C31 H27 Bi Fe O2 -","- C124 H108 Bi4 Fe4 O8 -","4","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0498","0.0308","","","0.0532","0.0597","","","","","","1.097","","","","has coordinates","270930","2021-11-30","09:11:56",""
"1565438","9.786","0.002","11.839","0.003","13.113","0.003","72.011","0.005","72.764","0.009","69.886","0.006","1325.7","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Bi Cl4 Fe N2 -","- C23 H27 Bi Cl4 Fe N2 -","- C46 H54 Bi2 Cl8 Fe2 N4 -","2","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0411","0.0364","","","0.0923","0.0958","","","","","","1.075","","","","has coordinates,has disorder","270931","2021-11-30","09:19:20",""
"1565439","8.298","0.0013","10.1552","0.0015","11.4067","0.0015","100.511","0.004","91.254","0.004","92.187","0.005","944","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H20.4 Bi Cl Fe N O0.3 -","- C19 H20.386 Bi Cl Fe N O0.307 -","- C38 H40.772 Bi2 Cl2 Fe2 N2 O0.614 -","2","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0487","0.0338","","","0.068","0.0738","","","","","","1.068","","","","has coordinates,has disorder","270932","2021-11-30","09:30:48",""
"1565440","12.1766","0.0003","27.7685","0.0006","4.2881","0.0001","90","","90","","90","","1449.92","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H14 Cl2 N4 Pd -","- C14 H14 Cl2 N4 Pd -","- C56 H56 Cl8 N16 Pd4 -","4","0.5","","Repina, Olga V.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kritchenkov, Andreii S.; Vasin, Alexander A.; Tskhovrebov, Alexander G.","Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding","Inorganica Chimica Acta","2020","502","","119378","","10.1016/j.ica.2019.119378","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1274","0.1294","","","","","","1.095","","","","has coordinates","270933","2021-11-30","09:36:00",""
"1565441","12.2756","0.0019","14.275","0.002","16.108","0.003","90","","105.381","0.0016","90","","2721.6","0.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cu N4 O9 S2 -","- C24 H32 Cu N4 O9 S2 -","- C96 H128 Cu4 N16 O36 S8 -","4","1","","Saga, Makoto; Sakane, Genta; Yamazaki, Shigeo; Saito, Keiitsu","Fluorescent ligand design for mononuclear copper(I) complex fluorescence in aqueous solution","Inorganica Chimica Acta","2020","502","","119368","","10.1016/j.ica.2019.119368","","","0.71075","MoKα","","0.0295","0.0281","","","0.0793","0.0804","","","","","","1.097","","","","has coordinates","270934","2021-11-30","09:45:28",""
"1565442","9.93854","0.00009","51.3735","0.0005","17.6187","0.0002","90","","91.8736","0.0009","90","","8990.9","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ru(MeCN)2(L)](CF3SO3)2","(N,N'-Bis(2-pyridylmethyl)-o-phenylenediamine)-bis(acetonitrile)- ruthenium(II) bis(triflate)","","- C24 H24 F6 N6 O6 Ru S2 -","- C24 H24 F6 N6 O6 Ru S2 -","- C288 H288 F72 N72 O72 Ru12 S24 -","12","3","","Stones, Maryanne K.; Sullivan, Ryan J.; Soldatov, Dmitriy V.; Schlaf, Marcel","Synthesis and characterization of novel tetradentate ruthenium complexes of a pyridine-o-phenylenediamine based chelate ligand","Inorganica Chimica Acta","2020","502","","119391","","10.1016/j.ica.2019.119391","","","0.71073","MoKα","","0.0758","0.0719","","","0.129","0.1302","","","","","","1.37","","","","has coordinates,has disorder","270935","2021-11-30","09:53:32",""
"1565443","10.42053","0.00011","15.64518","0.00014","23.5928","0.0003","90","","98.1828","0.001","90","","3807.2","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ru(PhCN)2(L)](CF3SO3)2*0.5(H2O)","(N,N'-Bis(2-pyridylmethyl)-o-phenylenediamine)-bis(benzonitrile)- ruthenium(II) bis(triflate) hemihydrate","","- C34 H29 F6 N6 O6.5 Ru S2 -","- C34 H28.996 F6 N6 O6.498 Ru S2 -","- C136 H115.984 F24 N24 O25.992 Ru4 S8 -","4","1","","Stones, Maryanne K.; Sullivan, Ryan J.; Soldatov, Dmitriy V.; Schlaf, Marcel","Synthesis and characterization of novel tetradentate ruthenium complexes of a pyridine-o-phenylenediamine based chelate ligand","Inorganica Chimica Acta","2020","502","","119391","","10.1016/j.ica.2019.119391","","","0.71073","MoKα","","0.0647","0.0514","","","0.1201","0.1264","","","","","","1.17","","","","has coordinates,has disorder","270935","2021-11-30","09:53:35",""
"1565444","11.1997","0.0013","11.2438","0.0014","36.788","0.005","90","","90","","90","","4632.6","1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H130 Cu4 N16 O25 -","- C80 H130 Cu4 N16 O25 -","- C160 H260 Cu8 N32 O50 -","2","0.5","","Zhao, Fang-Hua; Li, Zhong-Lin; He, Yuan-Chun; Zhang, Mei; Han, Jun; Fan, Sheng-Qing; Li, Yu-Shuo; You, Jin-Mao","Syntheses, structures and magnetism of two Cu(II) coordination polymers of d-camphorate controlled by metal-ligand ratio","Inorganica Chimica Acta","2020","502","","119387","","10.1016/j.ica.2019.119387","","","0.71073","MoKα","","0.1003","0.0655","","","0.1595","0.1742","","","","","","1.052","","","","has coordinates,has disorder","270936","2021-11-30","09:57:28",""
"1565445","20.562","0.017","12.45","0.009","13.909","0.012","90","","118.685","0.011","90","","3124","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Cu2 N4 O8 -","- C30 H39 Cu2 N4 O8 -","- C120 H156 Cu8 N16 O32 -","4","1","","Zhao, Fang-Hua; Li, Zhong-Lin; He, Yuan-Chun; Zhang, Mei; Han, Jun; Fan, Sheng-Qing; Li, Yu-Shuo; You, Jin-Mao","Syntheses, structures and magnetism of two Cu(II) coordination polymers of d-camphorate controlled by metal-ligand ratio","Inorganica Chimica Acta","2020","502","","119387","","10.1016/j.ica.2019.119387","","","0.71073","MoKα","","0.0902","0.0741","","","0.175","0.1886","","","","","","1.049","","","","has coordinates","270937","2021-11-30","09:58:33",""
"1565446","10.0797","0.0006","18.5156","0.0011","20.6491","0.0012","90","","91.271","0.001","90","","3852.8","0.4","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 N O8 P2 Ru -","- C42 H38 N O8 P2 Ru -","- C168 H152 N4 O32 P8 Ru4 -","4","2","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.036","0.0308","","","0.0679","0.0712","","","","","","1.026","","","","has coordinates","270938","2021-11-30","10:06:55",""
"1565447","5.7235","0.0001","10.3402","0.0002","14.0915","0.0002","90","","91.795","0.001","90","","833.56","0.02","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N O14 Ru -","- C9 H18 N O14 Ru -","- C18 H36 N2 O28 Ru2 -","2","0.5","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0298","0.0232","","","0.0559","0.0599","","","","","","1.069","","","","has coordinates","270938","2021-11-30","10:07:01",""
"1565448","9.4573","0.0001","10.7866","0.0001","11.4837","0.0001","80.648","0.001","83.988","0.001","86.261","0.001","1148.16","0.019","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20.93 N3 O10.47 Ru -","- C19 H20.932 N3 O10.466 Ru -","- C38 H41.864 N6 O20.932 Ru2 -","2","1","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0209","0.0198","","","0.0508","0.0516","","","","","","1.05","","","","has coordinates","270938","2021-11-30","10:07:16",""
"1565449","9.2186","0.0004","24.3744","0.0011","16.8071","0.0008","90","","96.804","0.001","90","","3749.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl12 N4 O4 Ru -","- C26 H23.269 Cl11.994 N4 O4 Ru -","- C104 H93.076 Cl47.976 N16 O16 Ru4 -","4","1","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0443","0.036","","","0.0807","0.0849","","","","","","1.047","","","","has coordinates,has disorder","270938","2021-11-30","10:07:20",""
"1565450","8.3188","0.0002","13.4185","0.0003","9.0483","0.0002","90","","104.954","0.001","90","","975.82","0.04","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H26.68 O9.34 Ru S4 -","- C10 H24 O9.342 Ru S4 -","- C20 H48 O18.684 Ru2 S8 -","2","1","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0152","0.0151","","","0.0399","0.04","","","","","","1","","","","has coordinates,has disorder","270938","2021-11-30","10:07:23",""
"1565451","28.7507","0.0013","28.7507","0.0013","17.9975","0.0009","90","","90","","90","","14876.8","1.2","112","","112","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C94 H113.2 Cl8 Fe4 N46 O57.6 -","- C94 H92.7 Cl8 Fe4 N46 O57.6 -","- C376 H370.8 Cl32 Fe16 N184 O230.4 -","4","0.25","","Tanaka, Tsubasa; Sunatsuki, Yukinari; Suzuki, Takayoshi","Synthesis and magnetic properties of tetrahedral tetranuclear iron(II) complexes with bis(bidentate)-type Schiff bases containing imidazole groups","Inorganica Chimica Acta","2020","502","","119373","","10.1016/j.ica.2019.119373","","","0.71075","MoKα","","0.0985","0.0796","","","0.233","0.2526","","","","","","1.032","","","","has coordinates","270939","2021-11-30","10:15:30",""
"1565452","28.627","0.004","28.627","0.004","18.807","0.003","90","","90","","90","","15412","4","112","","112","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C120 H140 B8 F32 Fe4 N48 O4 -","- C120 H96 B8 F32 Fe4 N48 O4 -","- C480 H384 B32 F128 Fe16 N192 O16 -","4","0.25","","Tanaka, Tsubasa; Sunatsuki, Yukinari; Suzuki, Takayoshi","Synthesis and magnetic properties of tetrahedral tetranuclear iron(II) complexes with bis(bidentate)-type Schiff bases containing imidazole groups","Inorganica Chimica Acta","2020","502","","119373","","10.1016/j.ica.2019.119373","","","0.71075","MoKα","","0.1022","0.0738","","","0.2202","0.242","","","","","","1.044","","","","has coordinates","270939","2021-11-30","10:15:33",""
"1565453","7.6803","0.0004","8.59","0.0004","12.6261","0.0005","75.226","0.004","88.079","0.004","79.872","0.004","792.84","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H0 Br6 N Sb -","- C7 H10 Br6 N Sb -","- C14 H20 Br12 N2 Sb2 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0799","0.0574","","","0.1436","0.1655","","","","","","0.933","","","","has coordinates","270940","2021-11-30","10:26:14",""
"1565454","7.3284","0.0003","10.5875","0.0005","16.7538","0.0008","90","","96.005","0.004","90","","1292.78","0.1","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","- C28 H40 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.059","0.0381","","","0.074","0.0828","","","","","","1.004","","","","has coordinates","270940","2021-11-30","10:26:27",""
"1565455","11.4927","0.0004","7.3613","0.0002","16.9266","0.0006","90","","100.782","0.003","90","","1406.73","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0409","0.0278","","","0.0452","0.0491","","","","","","0.98","","","","has coordinates","270940","2021-11-30","10:26:30",""
"1565456","8.3421","0.0008","13.196","0.0011","13.1826","0.0014","90","","105.402","0.01","90","","1399.1","0.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0352","0.0273","","","0.0523","0.0547","","","","","","1.017","","","","has coordinates","270940","2021-11-30","10:26:43",""
"1565457","8.3195","0.0006","8.9921","0.0005","12.336","0.0009","86.146","0.005","76.52","0.006","71.872","0.006","852.87","0.11","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Br6 N Sb -","- C8 H12 Br6 N Sb -","- C16 H24 Br12 N2 Sb2 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0494","0.0375","","","0.0811","0.0893","","","","","","0.987","","","","has coordinates","270940","2021-11-30","10:26:49",""
"1565458","14.4012","0.0015","44.515","0.005","16.5153","0.0017","90","","111.286","0.001","90","","9865.2","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H107 Cl5 Fe2 N15 O28.5 Zn3 -","- C87 H104 Cl5 Fe2 N15 O28.5 Zn3 -","- C348 H416 Cl20 Fe8 N60 O114 Zn12 -","4","1","","Maranha, Filipy Gobbo; dos Santos Silva, Graciela Aparecida; Bortoluzzi, Adailton J.; Nordlander, Ebbe; Peralta, Rosely A.; Neves, Ademir","A new heteropentanuclear complex containing the [Fe2IIIZn3II(μ-OH)3] structural motif as a model for purple acid phosphatases","Inorganica Chimica Acta","2020","502","","119280","","10.1016/j.ica.2019.119280","","","0.71073","MoKα","","0.074","0.0617","","","0.1391","0.145","","","","","","1.121","","","","has coordinates,has disorder","270941","2021-11-30","10:34:12",""
"1565459","6.9323","0.0004","8.524","0.0006","12.5071","0.0008","89.096","0.005","79.418","0.006","82.735","0.005","720.63","0.08","100.05","0.16","100.05","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N3 O2 S -","- C15 H17 N3 O2 S -","- C30 H34 N6 O4 S2 -","2","1","","Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)","Inorganica Chimica Acta","2020","502","","119282","","10.1016/j.ica.2019.119282","","","1.54184","CuKα","","0.0532","0.0371","","","0.0879","0.0946","","","","","","1.0321","","","","has coordinates","270942","2021-11-30","10:40:34",""
"1565460","10.3271","0.0005","12.0211","0.0006","12.2148","0.0005","118.107","0.005","98.606","0.004","105.272","0.004","1221.73","0.14","111","15","111","15","","","","","","","","6","P -1","-P 1","2","","","","- C25.75 H23.5 Au Cl1.5 N3 S -","- C25.75 H23.5 Au Cl1.5 N3 S -","- C51.5 H47 Au2 Cl3 N6 S2 -","2","1","","Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)","Inorganica Chimica Acta","2020","502","","119282","","10.1016/j.ica.2019.119282","","","1.5418","CuKα","","0.0484","0.0456","","","0.121","0.124","","","","","","1.0369","","","","has coordinates","270942","2021-11-30","10:40:37",""
"1565461","15.0999","0.0002","8.23711","0.00015","15.1811","0.0002","90","","92.8016","0.0014","90","","1885.96","0.05","99.95","0.13","99.95","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Au N4 O2 S -","- C20 H19 Au N4 O2 S -","- C80 H76 Au4 N16 O8 S4 -","4","1","","Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)","Inorganica Chimica Acta","2020","502","","119282","","10.1016/j.ica.2019.119282","","x-ray","1.54184","CuKα","","0.0323","0.0263","","","0.0712","0.0739","","","","","","1.0682","","","","has coordinates","270942","2021-11-30","10:40:39",""
"1565462","8.1369","0.001","10.8673","0.0013","13.3669","0.0016","99.505","0.002","99.254","0.002","89.829","0.002","1150.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H31 Cl O P2 Pd S -","- C18 H31 Cl O P2 Pd S -","- C36 H62 Cl2 O2 P4 Pd2 S2 -","2","1","","Valderrama-García, Bianca X.; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simón; Aguilar-Castillo, Bethsy Adriana; Morales-Morales, David","Novel and facile procedure for the synthesis of Ni(II) and Pd(II) PSCOP pincer complexes. Evaluation of their catalytic activity on C-S, C-Se and C-C cross coupling reactions","Inorganica Chimica Acta","2020","502","","119283","","10.1016/j.ica.2019.119283","","","0.71073","MoKα","","0.0656","0.0543","","","0.1113","0.1168","","","","","","1.119","","","","has coordinates,has disorder","270943","2021-11-30","10:44:46",""
"1565463","73.218","0.006","7.9782","0.0006","21.9591","0.0017","90","","99.829","0.001","90","","12639.1","1.7","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H39 Cl Ni O P2 S -","- C22 H39 Cl Ni O P2 S -","- C440 H780 Cl20 Ni20 O20 P40 S20 -","20","5","","Valderrama-García, Bianca X.; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simón; Aguilar-Castillo, Bethsy Adriana; Morales-Morales, David","Novel and facile procedure for the synthesis of Ni(II) and Pd(II) PSCOP pincer complexes. Evaluation of their catalytic activity on C-S, C-Se and C-C cross coupling reactions","Inorganica Chimica Acta","2020","502","","119283","","10.1016/j.ica.2019.119283","","","0.71073","MoKα","","0.0739","0.0612","","","0.1367","0.1446","","","","","","1.037","","","","has coordinates,has disorder","270943","2021-11-30","10:44:49",""
"1565466","14.212","0.001","14.212","0.001","16.6729","0.0014","90","","90","","90","","3367.6","0.4","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","nasr_1","nasr_1","","- C24 H34 Cu N12 O8 -","- C24 H34 Cu N12 O8 -","- C96 H136 Cu4 N48 O32 -","4","0.5","","Boubakri, Rim; Jelsch, Christian; Lefebvre, Frédéric; Kaminsky, Werner; Nasr, Cherif Ben; Kaabi, Kamel","Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one","Inorganica Chimica Acta","2020","502","","119289","","10.1016/j.ica.2019.119289","","","0.71073","MoKα","","0.0427","0.0329","","","0.0776","0.0811","","","","","","1.033","","","","has coordinates","270955","2021-12-01","09:23:34",""
"1565467","12.1887","0.001","12.3732","0.0008","14.2797","0.0008","90","","98.751","0.006","90","","2128.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cu N6 O9 -","- C14 H26 Cu N6 O9 -","- C56 H104 Cu4 N24 O36 -","4","1","","Boubakri, Rim; Jelsch, Christian; Lefebvre, Frédéric; Kaminsky, Werner; Nasr, Cherif Ben; Kaabi, Kamel","Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one","Inorganica Chimica Acta","2020","502","","119289","","10.1016/j.ica.2019.119289","","","0.71073","MoKα","","0.0904","0.0765","","","0.1945","0.2189","","","","","","1.062","","","","has coordinates","270955","2021-12-01","09:23:35",""
"1565468","14.4655","0.0005","19.699","0.0009","24.7036","0.001","90","","100.242","0.0014","90","","6927.3","0.5","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 H126 Gd4 N14 O16 -","- C168 H126 Gd4 N14 O16 -","- C336 H252 Gd8 N28 O32 -","2","0.5","","Hou, Yin-Ling; Han, Xue; Hu, Xin-Yan; Shen, Jie-Xuan; Wang, Jie; Shi, Ying; Ji, Jia; Hua, Yu-Peng; Wang, Wen-Min","Two LnIII4 (LnIII = Gd and Dy) clusters constructed by 8-hydroxyquinoline schiff base and β-diketonate coligand: Magnetic refrigeration property and single-molecule magnet behavior","Inorganica Chimica Acta","2020","502","","119290","","10.1016/j.ica.2019.119290","","","0.71073","MoKα","","0.1097","0.0608","","","0.1449","0.1784","","","","","","1.063","","","","has coordinates","270956","2021-12-01","09:28:56",""
"1565469","14.4736","0.0005","19.6747","0.0007","24.6633","0.0008","90","","100.256","0.0012","90","","6911","0.4","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 H126 Dy4 N14 O16 -","- C168 H126 Dy4 N14 O16 -","- C336 H252 Dy8 N28 O32 -","2","0.5","","Hou, Yin-Ling; Han, Xue; Hu, Xin-Yan; Shen, Jie-Xuan; Wang, Jie; Shi, Ying; Ji, Jia; Hua, Yu-Peng; Wang, Wen-Min","Two LnIII4 (LnIII = Gd and Dy) clusters constructed by 8-hydroxyquinoline schiff base and β-diketonate coligand: Magnetic refrigeration property and single-molecule magnet behavior","Inorganica Chimica Acta","2020","502","","119290","","10.1016/j.ica.2019.119290","","","0.71073","MoKα","","0.0929","0.0599","","","0.1529","0.1834","","","","","","1.076","","","","has coordinates","270956","2021-12-01","09:28:56",""
"1565470","10.0743","0.0004","25.3923","0.001","8.5537","0.0004","90","","92.62","0.004","90","","2185.83","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br Cd N2 O9 -","- C19 H19 Br Cd N2 O9 -","- C76 H76 Br4 Cd4 N8 O36 -","4","1","","Yang, Yan; Zhou, Xiao-Jie; Zhao, Ning; He, Yuan-Chun; Zhang, Gai; Yang, Jing-Jing","The photochromism of a coordination polymer constructed by Cd(II) and the mono-substituted viologen ligand 1-(3,5-dicarboxylbenzyl)-4,4′-bipyridinium bromide","Inorganica Chimica Acta","2020","502","","119292","","10.1016/j.ica.2019.119292","","","0.71073","MoKα","","0.0762","0.0599","","","0.1558","0.169","","","","","","1.063","","","","has coordinates","270957","2021-12-01","09:33:42",""
"1565471","24.842","0.005","4.931","0.0009","5.9195","0.0012","90","","90","","90","","725.1","0.2","150","","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","5FA-Ag","","","- C7 H5 Ag F N O2 -","- C7 H5 Ag F N O2 -","- C28 H20 Ag4 F4 N4 O8 -","4","1","","Manzano, Carlos M.; Nakahata, Douglas H.; Tenorio, Juan C.; Lustri, Wilton R.; Resende Nogueira, Flávia A.; Aleixo, Nadia A.; da Silva Gomes, Pietra S.; Pavan, Fernando R.; Grecco, Julia A.; Ribeiro, Camila M.; Corbi, Pedro P.","Silver complexes with fluoroanthranilic acid isomers: Spectroscopic characterization, antimycobacterial activity and cytotoxic studies over a panel of tumor cells","Inorganica Chimica Acta","2020","502","","119293","","10.1016/j.ica.2019.119293","","x-ray","0.71073","MoKα","","0.0368","0.0334","","","0.0671","0.0682","","","","","","1.232","","","","has coordinates","270975","2021-12-02","08:28:19",""
"1565472","10.99","0.002","12.35","0.003","17.57","0.004","76.96","0.03","85.79","0.03","69.96","0.03","2182.5","1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Eu N2 O6 -","- C43 H65 Eu N2 O6 -","- C86 H130 Eu2 N4 O12 -","2","1","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.80248","synchrotron","","0.0436","0.042","","","0.1101","0.1114","","","","","","1.044","","","","has coordinates","270976","2021-12-02","08:39:46",""
"1565473","11.2423","0.0004","12.3046","0.0004","19.0305","0.0006","74.24","0.002","80.046","0.002","68.276","0.002","2345.91","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H69 Eu N2 O6 -","- C45 H69 Eu N2 O6 -","- C90 H138 Eu2 N4 O12 -","2","1","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","1.54178","CuKα","","0.079","0.074","","","0.2066","0.2097","","","","","","1.011","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565474","11.272","0.002","12.305","0.002","19.043","0.004","74.311","0.004","79.747","0.004","68.215","0.003","2352.4","0.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H69 N2 O6 Tb -","- C45 H69 N2 O6 Tb -","- C90 H138 N4 O12 Tb2 -","2","1","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1189","0.0784","","","0.1748","0.1964","","","","","","1.009","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565475","28.021","0.006","24.455","0.005","13.015","0.003","90","","90","","90","","8919","3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 Eu N2 O6 -","- C43 H65 Eu N2 O6 -","- C344 H520 Eu8 N16 O48 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.80248","synchrotron","","0.0486","0.0463","","","0.1203","0.1219","","","","","","1.097","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565476","28.065","0.002","24.46","0.002","13.0005","0.0011","90","","90","","90","","8924.5","1.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 Gd N2 O6 -","- C43 H65 Gd N2 O6 -","- C344 H520 Gd8 N16 O48 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1669","0.082","","","0.1327","0.1643","","","","","","1.007","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565477","28.015","0.003","24.423","0.003","12.9837","0.0014","90","","90","","90","","8883.6","1.7","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 N2 O6 Tb -","- C43 H65 N2 O6 Tb -","- C344 H520 N16 O48 Tb8 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1153","0.0776","","","0.1052","0.1155","","","","","","1.014","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565478","22.888","0.004","25.631","0.004","16.944","0.003","90","","102.728","0.003","90","","9696","3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C66 H42 N4 O29 Zn5 -","- C66 H42 N4 O29 Zn5 -","- C264 H168 N16 O116 Zn20 -","4","0.5","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.13","0.0762","","","0.1865","0.2072","","","","","","1.031","","","","has coordinates","270977","2021-12-02","09:07:07",""
"1565479","13.707","0.006","14.229","0.006","15.229","0.007","95.789","0.007","106.877","0.007","90.06","0.007","2826","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H19 N2 O16 Zn2 -","- C42 H19 N2 O16 Zn2 -","- C84 H38 N4 O32 Zn4 -","2","1","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.1093","0.0915","","","0.2143","0.2216","","","","","","1.158","","","","has coordinates","270977","2021-12-02","09:07:08",""
"1565480","28.917","0.014","16.436","0.008","19.031","0.009","90","","118.713","0.006","90","","7933","7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O11 Zn2 -","- C24 H20 N2 O11 Zn2 -","- C192 H160 N16 O88 Zn16 -","8","1","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.1561","0.0938","","","0.2466","0.2649","","","","","","1.19","","","","has coordinates","270977","2021-12-02","09:07:08",""
"1565481","29.593","0.009","16.576","0.005","18.963","0.006","90","","120.983","0.005","90","","7975","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O11 Zn2 -","- C26 H22 N2 O11 Zn2 -","- C208 H176 N16 O88 Zn16 -","8","1","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.1437","0.0839","","","0.2139","0.2335","","","","","","1.025","","","","has coordinates","270977","2021-12-02","09:07:08",""
"1565482","18.915","0.013","10.196","0.007","29.92","0.02","90","","105.996","0.009","90","","5547","7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 Mn N4 O5.5 P4 -","- C60 H54 Mn N4 O5.5 P4 -","- C240 H216 Mn4 N16 O22 P16 -","4","1","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.2284","0.0827","","","0.222","0.3304","","","","","","0.798","","","","has coordinates","270978","2021-12-02","09:17:16",""
"1565483","11.23","0.013","15.446","0.014","18.01","0.02","79.602","0.018","89.991","0.015","74.36","0.03","2955","5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H52 Mn N4 O5.5 P4 -","- C60.5 H52 Mn N4 O5.5 P4 -","- C121 H104 Mn2 N8 O11 P8 -","2","1","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.218","0.1391","","","0.3407","0.3708","","","","","","1.358","","","","has coordinates","270979","2021-12-02","09:18:26",""
"1565484","16.101","0.003","9.8089","0.0016","19.171","0.003","90","","95.106","0.002","90","","3015.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 Mn2 N2 O10 P4 -","- C64 H58 Mn2 N2 O10 P4 -","- C128 H116 Mn4 N4 O20 P8 -","2","0.5","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.1301","0.0499","","","0.0994","0.1298","","","","","","0.978","","","","has coordinates","270980","2021-12-02","09:19:47",""
"1565485","9.236","0.003","13.596","0.005","13.882","0.005","113.453","0.004","97.147","0.005","100.949","0.004","1530.9","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Cl2 Mn2 N2 O10 P4 -","- C64 H56 Cl2 Mn2 N2 O10 P4 -","- C64 H56 Cl2 Mn2 N2 O10 P4 -","1","0.5","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.0642","0.0434","","","0.0979","0.1102","","","","","","1.06","","","","has coordinates","270981","2021-12-02","09:21:09",""
"1565486","10.76","0.02","12.12","0.02","17.66","0.03","99.48","0.03","98.95","0.03","104.57","0.03","2151","6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H88 Br4 Mn4 N2 O20 P4 -","- C74 H80 Br4 Mn4 N2 O20 P4 -","- C74 H80 Br4 Mn4 N2 O20 P4 -","1","0.5","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.2799","0.0776","","","0.174","0.2606","","","","","","0.873","","","","has coordinates","270982","2021-12-02","09:22:47",""
"1565487","9.3211","0.0002","10.1863","0.0002","14.3882","0.0003","78.854","0.001","72.74","0.001","83.873","0.001","1278.22","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H46 N4 O2 W -","- C20 H46 N4 O2 W -","- C40 H92 N8 O4 W2 -","2","1","","Yeo, So Jeong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis and characterization of tungsten Imido/Aminoalkoxide complexes to deposit tungsten oxide thin films","Inorganica Chimica Acta","2020","502","","119307","","10.1016/j.ica.2019.119307","","","0.71073","MoKα","","0.013","0.0126","","","0.0309","0.031","","","","","","1.103","","","","has coordinates","270983","2021-12-02","09:26:26",""
"1565489","20.7553","0.0007","15.015","0.0004","18.8647","0.0006","90","","98.272","0.003","90","","5817.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cd N8 O5.5 -","- C29 H23 Cd N8 O5.5 -","- C232 H184 Cd8 N64 O44 -","8","1","","Huo, Jianqiang; Li, Haiqiang; Yu, Donghui; Arulsamy, Navamoney","Three new metal complexes with imidazole-containing tripodal ligands as fluorophores for nitroaromatics- and ion-selective sensing","Inorganica Chimica Acta","2020","502","","119310","","10.1016/j.ica.2019.119310","","","0.71","MoKα","","0.073","0.0477","","","0.112","0.1306","","","","","","1.061","","","","has coordinates","270999","2021-12-03","09:34:24",""
"1565490","13.096","0.0005","15.6324","0.0005","14.9336","0.0005","90","","96.996","0.004","90","","3034.47","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N7 Ni O5.25 S -","- C33 H25 N7 Ni O5.25 S -","- C132 H100 N28 Ni4 O21 S4 -","4","1","","Huo, Jianqiang; Li, Haiqiang; Yu, Donghui; Arulsamy, Navamoney","Three new metal complexes with imidazole-containing tripodal ligands as fluorophores for nitroaromatics- and ion-selective sensing","Inorganica Chimica Acta","2020","502","","119310","","10.1016/j.ica.2019.119310","","","0.71073","MoKα","","0.0651","0.0444","","","0.0911","0.1051","","","","","","1.057","","","","has coordinates,has disorder","271000","2021-12-03","09:36:28",""
"1565491","11.9412","0.0003","18.4307","0.0006","14.4818","0.0004","90","","91.814","0.002","90","","3185.62","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 Cd N7 O5.5 S -","- C33 H23 Cd N7 O5.5 S -","- C132 H92 Cd4 N28 O22 S4 -","4","1","","Huo, Jianqiang; Li, Haiqiang; Yu, Donghui; Arulsamy, Navamoney","Three new metal complexes with imidazole-containing tripodal ligands as fluorophores for nitroaromatics- and ion-selective sensing","Inorganica Chimica Acta","2020","502","","119310","","10.1016/j.ica.2019.119310","","","0.71073","MoKα","","0.0573","0.0392","","","0.075","0.0859","","","","","","1.053","","","","has coordinates,has disorder","271001","2021-12-03","09:37:38",""
"1565492","23.58","0.003","13.7258","0.0017","9.3558","0.0011","90","","90","","90","","3028","0.6","296","2","296","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C33 H24 Co N4 O6 -","- C33 H24 Co N4 O6 -","- C132 H96 Co4 N16 O24 -","4","1","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0504","0.0412","","","0.1126","0.1173","","","","","","1.09","","","","has coordinates","271002","2021-12-03","09:45:40",""
"1565493","10.2536","0.0006","10.8554","0.0008","13.1698","0.0008","102.243","0.002","97.689","0.0018","97.897","0.002","1398.72","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Co N4 O6 -","- C33 H24 Co N4 O6 -","- C66 H48 Co2 N8 O12 -","2","1","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0498","0.0382","","","0.1082","0.1163","","","","","","0.991","","","","has coordinates","271002","2021-12-03","09:45:43",""
"1565494","35.992","0.006","10.2729","0.0017","23.541","0.004","90","","118.732","0.002","90","","7632","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H64 Co3 N12 O18 -","- C86 H64 Co3 N12 O18 -","- C344 H256 Co12 N48 O72 -","4","0.5","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.085","0.0595","","","0.1504","0.1631","","","","","","1.063","","","","has coordinates,has disorder","271002","2021-12-03","09:45:46",""
"1565495","36.686","0.003","10.0855","0.0008","23.456","0.0018","90","","118.396","0.0017","90","","7634.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H68 N12 Ni3 O20 -","- C86 H68 N12 Ni3 O20 -","- C344 H272 N48 Ni12 O80 -","4","0.5","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0533","0.0412","","","0.1034","0.1099","","","","","","1.04","","","","has coordinates","271002","2021-12-03","09:45:48",""
"1565496","36.762","0.007","10.419","0.002","23.64","0.005","90","","117.321","0.003","90","","8045","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H60 Cd3 N12 O16 -","- C86 H60 Cd3 N12 O16 -","- C344 H240 Cd12 N48 O64 -","4","0.5","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0425","0.0339","","","0.0879","0.0921","","","","","","1.042","","","","has coordinates","271002","2021-12-03","09:45:51",""
"1565497","6.6721","0.0003","14.0949","0.0008","21.7775","0.001","104.148","0.004","92.361","0.004","93.747","0.004","1978.18","0.17","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C42 H50 N2 Ni O4 -","- C42 H50 N2 Ni O4 -","- C84 H100 N4 Ni2 O8 -","2","1","","Sarkar, Prasenjit; Ghorai, Samir; Chandra Paul, Ganesh; Khannam, Mahmuda; Barman, Surajit; Mukherjee, Chandan","Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units","Inorganica Chimica Acta","2020","502","","119340","","10.1016/j.ica.2019.119340","","x-ray","0.71073","MoKα","","0.1256","0.0667","","","0.1399","0.1737","","","","","","1.068","","","","has coordinates","271003","2021-12-03","09:52:20",""
"1565498","5.7899","0.0008","12.5127","0.0009","13.9208","0.0014","71.193","0.008","80.081","0.01","81.402","0.008","935.62","0.18","102","3","102","3","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C21 H27 N Ni0.5 O2 -","- C21 H27 N Ni0.5 O2 -","- C42 H54 N2 Ni O4 -","2","1","","Sarkar, Prasenjit; Ghorai, Samir; Chandra Paul, Ganesh; Khannam, Mahmuda; Barman, Surajit; Mukherjee, Chandan","Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units","Inorganica Chimica Acta","2020","502","","119340","","10.1016/j.ica.2019.119340","","x-ray","0.71073","MoKα","","0.115","0.0823","","","0.1987","0.2278","","","","","","1.046","","","","has coordinates","271004","2021-12-03","09:53:27",""
"1565499","25.81","0.002","6.9366","0.0006","28.778","0.003","90","","96.065","0.008","90","","5123.4","0.8","296","2","296","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 N3 Ni O -","- C28 H31 N3 Ni O -","- C224 H248 N24 Ni8 O8 -","8","1","","Sarkar, Prasenjit; Ghorai, Samir; Chandra Paul, Ganesh; Khannam, Mahmuda; Barman, Surajit; Mukherjee, Chandan","Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units","Inorganica Chimica Acta","2020","502","","119340","","10.1016/j.ica.2019.119340","","x-ray","0.71073","MoKα","","0.0994","0.0557","","","0.1166","0.1439","","","","","","1.03","","","","has coordinates","271005","2021-12-03","09:54:50",""
"1565535","8.5718","0.0007","13.3508","0.0009","13.009","0.0007","90","","93.729","0.005","90","","1485.6","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C64 H64 N16 O8 -","4","0.5","","Purkait, Kallol; Mukherjee, Arindam","Cytotoxicity and reactivity of a redox active 1,4-quinone-pyrazole compound and its Ru(II)-p-cymene complex","Inorganica Chimica Acta","2020","502","","119361","","10.1016/j.ica.2019.119361","","x-ray","0.71073","MoKα","","0.0563","0.047","","","0.1077","0.1182","","","","","","1.063","","","","has coordinates","271122","2021-12-06","08:17:58",""
"1565536","11.715","0.0002","13.2905","0.0002","18.5755","0.0002","90","","95.463","0.001","90","","2879.04","0.07","100","2","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl F6 N4 O2 P Ru -","- C26 H32 Cl F5.98 N4 O2 P Ru -","- C104 H128 Cl4 F23.92 N16 O8 P4 Ru4 -","4","1","","Purkait, Kallol; Mukherjee, Arindam","Cytotoxicity and reactivity of a redox active 1,4-quinone-pyrazole compound and its Ru(II)-p-cymene complex","Inorganica Chimica Acta","2020","502","","119361","","10.1016/j.ica.2019.119361","","x-ray","0.71073","MoKα","","0.0514","0.0415","","","0.0967","0.1038","","","","","","1.022","","","","has coordinates,has disorder","271122","2021-12-06","08:18:04",""
"1565537","9.8698","0.0005","14.0281","0.0007","18.8714","0.0009","76.317","0.0011","81.6093","0.0011","77.7631","0.0011","2468.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H59 Eu N6 O7 -","- C51 H59 Eu N6 O7 -","- C102 H118 Eu2 N12 O14 -","2","1","","Taydakov, Ilya V.; Belousov, Yury A.; Lyssenko, Konstantin A.; Varaksina, Eugenia; Drozdov, Andrey A.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, phosphorescence and luminescence properties of novel europium and gadolinium tris-acylpyrazolonate complexes","Inorganica Chimica Acta","2020","502","","119279","","10.1016/j.ica.2019.119279","","","0.71073","MoKα","","0.0529","0.0398","","","0.0788","0.0841","","","","","","0.994","","","","has coordinates","271123","2021-12-06","08:22:22",""
"1565538","20.0975","0.0007","13.8845","0.0005","17.341","0.0006","90","","103.049","0.002","90","","4713.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 N8 O13 Zn2 -","- C44 H46 N8 O13 Zn2 -","- C176 H184 N32 O52 Zn8 -","4","0.5","","Khullar, Sadhika; Thakur, Smriti; Mandal, Sanjay K.","Synthesis and structural characterization of Zn(II) and Cd(II) ion directed coordination networks and their template-free fabrication to metal oxide nanomaterials","Inorganica Chimica Acta","2020","502","","119281","","10.1016/j.ica.2019.119281","","","0.71073","MoKα","","0.0892","0.055","","","0.1407","0.16","","","","","","1.042","","","","has coordinates","271124","2021-12-06","08:26:48",""
"1565539","8.6876","0.0005","14.9527","0.0009","15.8867","0.0009","90","","90","","90","","2063.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Khullar, Sadhika; Thakur, Smriti; Mandal, Sanjay K.","Synthesis and structural characterization of Zn(II) and Cd(II) ion directed coordination networks and their template-free fabrication to metal oxide nanomaterials","Inorganica Chimica Acta","2020","502","","119281","","10.1016/j.ica.2019.119281","","","0.71073","MoKα","","0.0293","0.0275","","","0.0623","0.0635","","","","","","1.003","","","","has coordinates","271124","2021-12-06","08:26:49",""
"1565540","12.0945","0.0004","12.4586","0.0003","17.1428","0.0005","73.056","0.003","78.839","0.003","65.55","0.003","2241.46","0.13","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H38 Cl N3 O2 P2 Ru S -","- C50 H38 Cl N3 O2 P2 Ru S -","- C100 H76 Cl2 N6 O4 P4 Ru2 S2 -","2","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0308","0.0267","","","0.0624","0.0645","","","","","","1.019","","","","has coordinates","271125","2021-12-06","08:37:20",""
"1565541","8.1187","0.0006","11.9641","0.0007","12.2397","0.0008","74.092","0.003","86.817","0.004","70.785","0.003","1078.86","0.13","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Cl2 N5 O2 Ru S -","- C18 H15 Cl2 N5 O2 Ru S -","- C36 H30 Cl4 N10 O4 Ru2 S2 -","2","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.1225","0.079","","","0.1784","0.2013","","","","","","1.026","","","","has coordinates","271125","2021-12-06","08:37:23",""
"1565542","10.2686","0.0006","12.0973","0.0008","15.7733","0.001","90","","91.326","0.002","90","","1958.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl2 N5 O3 Ru -","- C17 H13 Cl2 N5 O3 Ru -","- C68 H52 Cl8 N20 O12 Ru4 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0301","0.0252","","","0.0606","0.0645","","","","","","1.099","","","","has coordinates","271125","2021-12-06","08:37:29",""
"1565543","12.0368","0.0003","11.7297","0.0003","15.8171","0.0004","90","","91.623","0.002","90","","2232.29","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl2 N3 O3 Ru S3 -","- C17 H21 Cl2 N3 O3 Ru S3 -","- C68 H84 Cl8 N12 O12 Ru4 S12 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0428","0.0311","","","0.0668","0.0728","","","","","","1.026","","","","has coordinates","271125","2021-12-06","08:37:38",""
"1565544","10.7023","0.0003","9.9414","0.0003","25.728","0.0007","90","","101.593","0.003","90","","2681.51","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N4 O4 Ru S2 -","- C18 H26 Cl2 N4 O4 Ru S2 -","- C72 H104 Cl8 N16 O16 Ru4 S8 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0332","0.0293","","","0.0681","0.0702","","","","","","1.001","","","","has coordinates","271125","2021-12-06","08:37:38",""
"1565545","10.8987","0.0004","16.1704","0.0005","24.0492","0.0008","90","","91.034","0.003","90","","4237.7","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H39 N3 O2 P2 Ru S -","- C50 H39 N3 O2 P2 Ru S -","- C200 H156 N12 O8 P8 Ru4 S4 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.1104","0.0535","","","0.0983","0.1169","","","","","","0.989","","","","has coordinates","271125","2021-12-06","08:37:41",""
"1565546","13.1771","0.0004","18.7693","0.0006","17.1873","0.0006","90","","102.858","0.004","90","","4144.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N4 O2 P2 Ru -","- C50 H40 N4 O2 P2 Ru -","- C200 H160 N16 O8 P8 Ru4 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0456","0.0363","","","0.0943","0.1029","","","","","","0.916","","","","has coordinates","271125","2021-12-06","08:37:50",""
"1565547","9.0315","0.0006","14.2944","0.0009","11.3175","0.001","90","","97.307","0.001","90","","1449.22","0.18","297","2","297.03","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","mer-Cr(pzH)3Cl3","","- C9.01 H12.02 Cl3 Cr N6.01 -","- C9.008 H12.016 Cl3 Cr N6.008 -","- C36.032 H48.064 Cl12 Cr4 N24.032 -","4","0.5","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0324","0.0282","","","0.0726","0.0762","","","","","","1.132","","","","has coordinates,has disorder","271126","2021-12-06","08:59:42",""
"1565548","17.455","0.013","6.801","0.005","14.857","0.011","90","","90","","90","","1764","2","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","mer-CrCl3(3-Me-pzH)3","","- C12 H18 Cl3 Cr N6 -","- C12 H18 Cl3 Cr N6 -","- C48 H72 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.036","0.0273","","","0.0598","0.0639","","","","","","1.026","","","","has coordinates","271126","2021-12-06","08:59:53",""
"1565549","11.356","0.002","11.59","0.002","13.632","0.003","90","","90","","90","","1794.2","0.6","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-CrCl3(4-Me-pzH)","","- C12 H18 Cl3 Cr N6 -","- C12 H18 Cl3 Cr N6 -","- C48 H72 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0678","0.0428","","","0.0814","0.0894","","","","","","1.028","","","","has coordinates","271126","2021-12-06","08:59:54",""
"1565550","6.792","0.003","10.395","0.003","12.218","0.004","78.808","0.015","89.621","0.015","88.186","0.015","845.8","0.5","295.15","","295.15","","","","","","","","","5","P -1","-P 1","2","","mer-CrCl3(4-Cl-pzH)3","","- C9 H9 Cl6 Cr N6 -","- C9 H9 Cl6 Cr N6 -","- C18 H18 Cl12 Cr2 N12 -","2","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0358","0.027","","","0.0628","0.0668","","","","","","1.046","","","","has coordinates,has disorder","271126","2021-12-06","08:59:54",""
"1565551","8.868","0.006","9.913","0.006","20.661","0.012","90","","100.469","0.017","90","","1786","1.9","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mer-CrCl3(4-Br-pzH)3","","- C9 H9 Br3 Cl3 Cr N6 -","- C9 H9 Br3 Cl3 Cr N6 -","- C36 H36 Br12 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0515","0.0366","","","0.0836","0.0913","","","","","","1.028","","","","has coordinates","271126","2021-12-06","08:59:54",""
"1565552","9.5178","0.0008","10.619","0.0009","12.6128","0.0011","78.787","0.002","82.592","0.002","86.424","0.002","1239.09","0.18","295","2","295","","","","","","","","","7","P -1","-P 1","2","","trans-Cr(4-I-pz)3Cl3","","- C13 H17 Cl3 Cr I2.99 N6 O -","- C9 H9 Cl3 Cr I2.982 N6 -","- C18 H18 Cl6 Cr2 I5.964 N12 -","2","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0555","0.0363","","","0.0883","0.0951","","","","","","1.055","","","","has coordinates,has disorder","271126","2021-12-06","08:59:54",""
"1565553","8.0428","0.0003","8.437","0.0004","14.9426","0.0006","76.697","0.001","89.927","0.001","68.369","0.001","913.34","0.07","302","2","302.21","","","","","","","","","5","P -1","-P 1","2","","[trans-Cr(pzH)4Cl2]Cl","","- C12 H16 Cl3 Cr N8 -","- C12 H16 Cl3 Cr N8 -","- C24 H32 Cl6 Cr2 N16 -","2","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0591","0.0432","","","0.0897","0.0963","","","","","","1.099","","","","has coordinates","271126","2021-12-06","08:59:54",""
"1565554","13.5854","0.0008","10.4098","0.0006","21.5335","0.0012","90","","100.405","0.001","90","","2995.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl N O4 P Rh -","- C35 H28 Cl N O4 P Rh -","- C140 H112 Cl4 N4 O16 P4 Rh4 -","4","1","","Williams, Cody; Ferreira, Michel; Tilloy, Sébastien; Monflier, Eric; Mapolie, Selwyn F.; Smith, Gregory S.","Fréchet-type metallodendrons with N,P-iminophosphine Rh(I) complexes at the focal point: Synthesis and evaluation in the hydroformylation of 1-octene","Inorganica Chimica Acta","2020","502","","119341","","10.1016/j.ica.2019.119341","","","0.71073","MoKα","","0.0607","0.0342","","","0.0641","0.071","","","","","","1.021","","","","has coordinates","271127","2021-12-06","09:07:47",""
"1565555","7.6582","0.0004","10.6878","0.0005","13.9776","0.0006","99.199","0.002","95.857","0.002","97.625","0.002","1110.44","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N6 S4 -","- C18 H20 Cd N6 S4 -","- C36 H40 Cd2 N12 S8 -","2","1","","Santra, Ananyakumari; Brandao, Paula; Mondal, Gopinath; Bera, Pradip; Jana, Abhimanyu; Bhattacharyya, Indranil; Pramanik, Chandana; Bera, Pulakesh","Monomeric and dimeric cadmium(II) complexes of S-alkyl/aryl dithiocarbazate as single-source precursors for cadmium sulfide nanoparticles: An experimental, theoretical interpretation in the stability of precursor and visible light dye degradation study","Inorganica Chimica Acta","2020","501","","119315","","10.1016/j.ica.2019.119315","","","0.71073","MoKα","","0.0272","0.021","","","0.0476","0.0502","","","","","","1.034","","","","has coordinates","271128","2021-12-06","09:15:31",""
"1565556","9.1658","0.0005","9.2721","0.0005","10.7922","0.0006","72.562","0.002","74.696","0.002","72.819","0.002","820.36","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cd2 Cl2 N6 S4 -","- C30 H28 Cd2 Cl2 N6 S4 -","- C30 H28 Cd2 Cl2 N6 S4 -","1","0.5","","Santra, Ananyakumari; Brandao, Paula; Mondal, Gopinath; Bera, Pradip; Jana, Abhimanyu; Bhattacharyya, Indranil; Pramanik, Chandana; Bera, Pulakesh","Monomeric and dimeric cadmium(II) complexes of S-alkyl/aryl dithiocarbazate as single-source precursors for cadmium sulfide nanoparticles: An experimental, theoretical interpretation in the stability of precursor and visible light dye degradation study","Inorganica Chimica Acta","2020","501","","119315","","10.1016/j.ica.2019.119315","","","0.71073","MoKα","","0.0202","0.018","","","0.0433","0.0442","","","","","","1.053","","","","has coordinates","271128","2021-12-06","09:15:35",""
"1565557","12.9522","0.0018","12.9522","0.0018","14.054","0.003","90","","90","","120","","2041.8","0.6","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C12 H6 O16 Sc3 -","- C12 H6 O16 Sc3 -","- C24 H12 O32 Sc6 -","2","0.166667","","Wang, Pengcheng; Zhang, Liying; Zhu, Ziqian; Wu, Shujie; Shan, Liang; Fan, Yong; Wang, Li; Chen, Xiaodong; Xu, Jianing","Two three-dimensional Sc(III)-MOFs: Synthesis, crystal structure and catalytic property","Inorganica Chimica Acta","2020","501","","119304","","10.1016/j.ica.2019.119304","","","0.71073","MoKα","","0.087","0.0632","","","0.1903","0.203","","","","","","1.113","","","","has coordinates","271129","2021-12-06","09:22:44",""
"1565558","13.579","0.003","16.643","0.005","13.902","0.004","90","","104.682","0.017","90","","3039.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 O10 S2 Sc2 -","- C12 H4 O10 S2 Sc2 -","- C48 H16 O40 S8 Sc8 -","4","1","","Wang, Pengcheng; Zhang, Liying; Zhu, Ziqian; Wu, Shujie; Shan, Liang; Fan, Yong; Wang, Li; Chen, Xiaodong; Xu, Jianing","Two three-dimensional Sc(III)-MOFs: Synthesis, crystal structure and catalytic property","Inorganica Chimica Acta","2020","501","","119304","","10.1016/j.ica.2019.119304","","","0.71073","MoKα","","0.0913","0.0558","","","0.1334","0.1432","","","","","","0.851","","","","has coordinates","271129","2021-12-06","09:22:47",""
"1565559","10.3799","0.0008","11.3213","0.0012","16.317","0.002","99.982","0.004","104.865","0.004","108.471","0.004","1688.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N13 O13 Y2 -","- C27 H25 N13 O13 Y2 -","- C54 H50 N26 O26 Y4 -","2","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.0613","0.0405","","","0.0969","0.109","","","","","","1.039","","","","has coordinates","271130","2021-12-06","10:34:57",""
"1565560","10.366","0.002","11.333","0.002","16.169","0.003","100.21","0.004","104.428","0.004","106.832","0.005","1695.9","0.5","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Er2 N12 O12 -","- C24 H18 Er2 N12 O12 -","- C48 H36 Er4 N24 O24 -","2","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.0682","0.0548","","","0.1608","0.1721","","","","","","1.125","","","","has coordinates","271131","2021-12-06","10:37:02",""
"1565561","10.4337","0.0008","11.3682","0.0009","16.2663","0.0013","100.086","0.002","104.773","0.002","107.153","0.002","1715.9","0.2","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N12 O12 Yb2 -","- C24 H18 N12 O12 Yb2 -","- C48 H36 N24 O24 Yb4 -","2","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.094","0.0816","","","0.2518","0.2672","","","","","","1.165","","","","has coordinates","271132","2021-12-06","10:39:15",""
"1565562","17.5663","0.0006","13.0743","0.0005","14.1771","0.0005","90","","105.588","0.001","90","","3136.3","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 La N6 O6 -","- C12 H9 La N6 O6 -","- C96 H72 La8 N48 O48 -","8","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.0284","0.0272","","","0.074","0.075","","","","","","1.089","","","","has coordinates","271133","2021-12-06","10:40:50",""
"1565563","12.0752","0.0003","20.5757","0.0004","17.6406","0.0004","90","","107.024","0.003","90","","4190.86","0.18","180","0.2","180","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 Er N3 O4 S2 -","- C47 H40 Er N3 O4 S2 -","- C188 H160 Er4 N12 O16 S8 -","4","1","","Liu, Bin; Jin, Hong; Kuang, Ze-An; Chen, Xin; Meng, Yin-Shan; Lin, Shijing; Liu, Shan-Shan","Bifunctional sulfur-ligated erbium complex: Crystal structure, magnetic and luminescent properties","Inorganica Chimica Acta","2020","501","","119297","","10.1016/j.ica.2019.119297","","x-ray","0.71073","MoKα","","0.0628","0.0357","","","0.0748","0.0839","","","","","","1.019","","","","has coordinates","271134","2021-12-06","10:49:03",""
"1565564","12.0674","0.0002","20.5884","0.0003","17.6815","0.0003","90","","106.864","0.002","90","","4204.03","0.13","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 N3 O4 S2 Tb -","- C47 H40 N3 O4 S2 Tb -","- C188 H160 N12 O16 S8 Tb4 -","4","1","","Liu, Bin; Jin, Hong; Kuang, Ze-An; Chen, Xin; Meng, Yin-Shan; Lin, Shijing; Liu, Shan-Shan","Bifunctional sulfur-ligated erbium complex: Crystal structure, magnetic and luminescent properties","Inorganica Chimica Acta","2020","501","","119297","","10.1016/j.ica.2019.119297","","x-ray","0.71073","MoKα","","0.0348","0.0254","","","0.0591","0.0629","","","","","","1.036","","","","has coordinates","271135","2021-12-06","10:50:37",""
"1565591","7.261","0.002","10.156","0.003","15.48","0.01","90","","91.06","0.04","90","","1141.3","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl4 O2 Si2 Ti2 -","- C16 H20 Cl4 O2 Si2 Ti2 -","- C32 H40 Cl8 O4 Si4 Ti4 -","2","0.5","","Mateos, María; Vinueza, Joan; Mosquera, Marta E.G.; Tabernero, Vanessa; Cuenca, Tomás; Jiménez, Gerardo","Cyclopentadienyl-silsesquioxane titanium compounds as suitable candidates for immobilization on silica-based supports","Inorganica Chimica Acta","2020","501","","119275","","10.1016/j.ica.2019.119275","","x-ray","0.71073","MoKα","","0.114","0.0756","","","0.2245","0.2363","","","","","","1.161","","","","has coordinates,has disorder","271260","2021-12-08","09:15:08",""
"1565592","18.9602","0.0004","11.0683","0.0003","20.8501","0.0005","90","","95.1797","0.0015","90","","4357.68","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Fe2 O4 P2 S2 -","- C50 H38 Fe2 O4 P2 S2 -","- C200 H152 Fe8 O16 P8 S8 -","4","1","","Faujdar, Hemlata; Spannenberg, Anke; Kaur-Ghumaan, Sandeep","Structural and HER studies of diphosphine-monothiolate complexes [Fe2(CO)4(μ-naphthalene-2-thiolate)2(μ-dppe)] and [Fe2(CO)4(μ-naphthalene-2-thiolate)2(μ-DPEPhos)]","Inorganica Chimica Acta","2020","501","","119227","","10.1016/j.ica.2019.119227","","","1.54178","CuKα","","0.0648","0.045","","","0.1041","0.1149","","","","","","1.007","","","","has coordinates","271261","2021-12-08","09:23:33",""
"1565593","9.5866","0.0003","9.7464","0.0003","13.8899","0.0004","79.113","0.001","81.146","0.001","85.846","0.001","1258","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cl3 Eu N6 O7 -","- C16 H28 Cl3 Eu N6 O7 -","- C32 H56 Cl6 Eu2 N12 O14 -","2","1","","Al-Khalili, Asia N.; Al-Busaidi, Idris J.; Ilmi, Rashid; Al-Mandhary, Muna; Khan, Muhammad S.; Al-Rasbi, Nawal K.","Investigation of binding tendency of Eu(III) and La(III)-Schiff base complexes to selected oxy-anions and amino acids","Inorganica Chimica Acta","2020","501","","119226","","10.1016/j.ica.2019.119226","","","0.71073","MoKα","","0.0286","0.0253","","","0.0632","0.0651","","","","","","1.046","","","","has coordinates","271262","2021-12-08","09:26:52",""
"1565594","7.591","0.004","10.496","0.004","10.791","0.005","86.56","0.03","85.43","0.02","70.61","0.03","807.9","0.7","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H14 B2 Cl F4 O4 S -","- C11 H14 B2 Cl F4 O4 S -","- C22 H28 B4 Cl2 F8 O8 S2 -","2","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.12","0.0669","","","0.1788","0.2078","","","","","","1.021","","","","has coordinates","271263","2021-12-08","10:04:01",""
"1565595","8.368","0.003","18.822","0.007","25.534","0.009","90","","90","","90","","4022","3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B2 F4 O4 S -","- C20 H16 B2 F4 O4 S -","- C160 H128 B16 F32 O32 S8 -","8","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.0827","0.0491","","","0.1008","0.1138","","","","","","1.045","","","","has coordinates","271264","2021-12-08","10:05:40",""
"1565596","11.371","0.009","12.765","0.011","11.993","0.009","90","","116.24","0.03","90","","1561","2","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 B2 F4 O5 S -","- C11 H14 B2 F4 O5 S -","- C44 H56 B8 F16 O20 S4 -","4","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.0503","0.0404","","","0.1125","0.1217","","","","","","1.052","","","","has coordinates","271265","2021-12-08","10:07:19",""
"1565597","10.6062","0.0007","20.1457","0.0013","7.3306","0.0005","90","","105.493","0.003","90","","1509.41","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Co N2 O7 -","- C12 H12 Co N2 O7 -","- C48 H48 Co4 N8 O28 -","4","1","","Bhattacharyya, Manjit K.; Dutta, Debajit; Nashre-ul-Islam, Swah Mohd.; Frontera, Antonio; Sharma, Pranay; Verma, Akalesh K.; Das, Amal","Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies","Inorganica Chimica Acta","2020","501","","119233","","10.1016/j.ica.2019.119233","","","0.71073","MoKα","","0.0619","0.0458","","","0.145","0.1567","","","","","","1.088","","","","has coordinates","271266","2021-12-08","10:22:03",""
"1565598","14.8466","0.0007","13.4836","0.0006","7.1539","0.0003","90","","90.648","0.002","90","","1432.02","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu N2 O7 -","- C12 H14 Cu N2 O7 -","- C48 H56 Cu4 N8 O28 -","4","1","","Bhattacharyya, Manjit K.; Dutta, Debajit; Nashre-ul-Islam, Swah Mohd.; Frontera, Antonio; Sharma, Pranay; Verma, Akalesh K.; Das, Amal","Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies","Inorganica Chimica Acta","2020","501","","119233","","10.1016/j.ica.2019.119233","","","0.71073","MoKα","","0.03","0.0267","","","0.0728","0.0745","","","","","","1.052","","","","has coordinates","271267","2021-12-08","10:23:08",""
"1565599","10.5818","0.0004","20.0941","0.0008","7.2854","0.0003","90","","105.089","0.003","90","","1495.7","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 Ni O7 -","- C12 H12 N2 Ni O7 -","- C48 H48 N8 Ni4 O28 -","4","1","","Bhattacharyya, Manjit K.; Dutta, Debajit; Nashre-ul-Islam, Swah Mohd.; Frontera, Antonio; Sharma, Pranay; Verma, Akalesh K.; Das, Amal","Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies","Inorganica Chimica Acta","2020","501","","119233","","10.1016/j.ica.2019.119233","","","0.71073","MoKα","","0.0631","0.0465","","","0.144","0.1565","","","","","","1.074","","","","has coordinates","271268","2021-12-08","10:24:27",""
"1565600","13.4859","0.0008","13.9193","0.0008","16.7686","0.001","97.753","0.005","112.821","0.005","95.185","0.005","2839.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H29 Cl N4 O4 P2 Pd -","- C28 H29 Cl N4 O4 P2 Pd -","- C112 H116 Cl4 N16 O16 P8 Pd4 -","4","2","","Carroll, Hannah K.; Brown, Matthew L.; Yap, Vanessa C.; Magnuson, Justine R.; Reich, Noah A.J.; Macdonald, Alexander G.P.; Montgomery, Craig D.","Rapid interconversion of diastereomers of [PdCl{P(OC6H4NMe)2}{P(OC6H4NMe)OC6H4NHMe}]","Inorganica Chimica Acta","2020","501","","119239","","10.1016/j.ica.2019.119239","","x-ray","1.54178","CuKα","","0.149","0.0786","","","0.1922","0.2381","","","","","","1.02","","","","has coordinates","271270","2021-12-08","10:29:39",""
"1565607","17.504","0.002","6.9533","0.0009","16.344","0.002","90","","109.34","0.002","90","","1877","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Cl2 Hg N2 O0.5 -","- C7 H7 Cl2 Hg N2 O0.5 -","- C56 H56 Cl16 Hg8 N16 O4 -","8","1","","Mahmoudi, Ghodrat; Hayati, Payam; Mohammadi, Khosro; Masoudiasl, Ardavan; Mague, Joel T.; Zangrando, Ennio","The role of weak interactions in the crystal packing of two novel 1D Hg(II) coordination polymers and investigation for preparation of their rod and spherical structures","Inorganica Chimica Acta","2020","501","","119243","","10.1016/j.ica.2019.119243","","","0.71073","MoKα","","0.0549","0.0493","","","0.1315","0.135","","","","","","1.09","","","","has coordinates","271288","2021-12-09","08:56:33",""
"1565608","17.884","0.005","7.323","0.001","16.362","0.003","90","","107.85","0.04","90","","2039.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Br2 Hg N2 -","- C7 H7 Br2 Hg N2 -","- C56 H56 Br16 Hg8 N16 -","8","1","","Mahmoudi, Ghodrat; Hayati, Payam; Mohammadi, Khosro; Masoudiasl, Ardavan; Mague, Joel T.; Zangrando, Ennio","The role of weak interactions in the crystal packing of two novel 1D Hg(II) coordination polymers and investigation for preparation of their rod and spherical structures","Inorganica Chimica Acta","2020","501","","119243","","10.1016/j.ica.2019.119243","","","0.71073","MoKα","","0.0601","0.0529","","","0.1361","0.1404","","","","","","1.021","","","","has coordinates","271288","2021-12-09","08:56:35",""
"1565609","15.1636","0.0014","9.9282","0.0009","16.9957","0.0015","90","","107.4","0.004","90","","2441.6","0.4","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","","Enamullah, Mohammed; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Syntheses, spectroscopy, tautomerism, induced chirality and molecular structure of 3-(o/p-tolylimino)indolin-2-one and bis[3-(o/p-tolylimino)indole-2-olato-κ2N,O]-Δ/Λ-zinc(II)","Inorganica Chimica Acta","2020","501","","119245","","10.1016/j.ica.2019.119245","","","0.71073","MoKα","","0.0785","0.0538","","","0.1352","0.1515","","","","","","1.026","","","","has coordinates,has disorder","271289","2021-12-09","09:00:49",""
"1565610","9.483","0.0004","13.5406","0.0006","13.8231","0.0006","106.312","0.001","100.006","0.001","96.797","0.001","1651.16","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cl2 Cu F2 N6 O8 -","- C32 H40 Cl2 Cu F2 N6 O8 -","- C64 H80 Cl4 Cu2 F4 N12 O16 -","2","1","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.0471","0.0397","","","0.1097","0.1157","","","","","","1.045","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565611","12.612","0.002","24.924","0.005","13.54","0.002","90","","101.727","0.003","90","","4167.3","1.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C128 H202 F8 Fe4 N24 O69 S4 -","- C128 H202 F8 Fe4 N24 O69 S4 -","- C128 H202 F8 Fe4 N24 O69 S4 -","1","0.25","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.2147","0.0822","","","0.1777","0.2326","","","","","","0.944","","","","has coordinates","271290","2021-12-09","09:09:58",""
"1565612","10.8253","0.001","11.5326","0.0011","13.81","0.0013","90","","96.568","0.002","90","","1712.8","0.3","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H40 F2 N6 O10 Zn -","- C32 H40 F2 N6 O10 Zn -","- C64 H80 F4 N12 O20 Zn2 -","2","0.5","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.077","0.0569","","","0.1443","0.1555","","","","","","1.068","","","","has coordinates","271290","2021-12-09","09:10:12",""
"1565613","5.8215","0.0005","21.6347","0.0015","13.2392","0.0009","90","","100.204","0.002","90","","1641.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Co F2 N6 O7.34 -","- C32 H33.9998 Co F2 N6 O7.3332 -","- C64 H67.9996 Co2 F4 N12 O14.6664 -","2","0.5","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.0989","0.0646","","","0.1733","0.1909","","","","","","1.039","","","","has coordinates","271290","2021-12-09","09:10:23",""
"1565614","11.895","0.005","15.863","0.005","15.918","0.005","90","0.005","90","0.005","90","0.005","3003.6","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H40 N4 O4 S2 Zn2 -","- C26 H40 N4 O4 S2 Zn2 -","- C104 H160 N16 O16 S8 Zn8 -","4","0.5","","Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato","Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent","Inorganica Chimica Acta","2020","501","","119263","","10.1016/j.ica.2019.119263","","","0.71073","MoKα","","0.0816","0.0489","","","0.1073","0.1292","","","","","","1.073","","","","has coordinates","271291","2021-12-09","09:19:23",""
"1565615","12.1384","0.0005","65.81","0.002","11.2189","0.0005","90","","90","","90","","8962","0.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H26 Hg N2 O4 S2 -","- C20 H26 Hg N2 O4 S2 -","- C320 H416 Hg16 N32 O64 S32 -","16","1","","Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato","Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent","Inorganica Chimica Acta","2020","501","","119263","","10.1016/j.ica.2019.119263","","x-ray","1.54184","CuKα","","0.0833","0.0808","","","0.2198","0.2227","","","","","","1.061","","","","has coordinates","271291","2021-12-09","09:19:35",""
"1565616","9.6507","0.0003","9.6875","0.0004","12.4793","0.0005","69.463","0.001","84.019","0.001","60.933","0.001","951.82","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Mo2 N3 O3 S4 -","- C13 H15 Mo2 N3 O3 S4 -","- C26 H30 Mo4 N6 O6 S8 -","2","1","","Birgisson, Benedikt O.; Monger, Lindsey J.; Damodaran, Krishna K.; Suman, Sigridur G.","Synthesis and characterization of asymmetric [Mo2O2(μ-S)2(S2)(L)] complexes (L = bipy, en, dien) and their heterogeneous reaction with propylene sulfide","Inorganica Chimica Acta","2020","501","","119272","","10.1016/j.ica.2019.119272","","","0.71073","MoKα","","0.0216","0.0177","","","0.0424","0.0438","","","","","","1.052","","","","has coordinates","271292","2021-12-09","09:27:13",""
"1565617","10.8994","0.0004","11.3461","0.0005","12.0068","0.0005","76.495","0.003","79.268","0.003","84.733","0.003","1416.7","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H23 N4 Sb -","- C37 H23 N4 Sb -","- C74 H46 N8 Sb2 -","2","1","","Mondal, Sruti; Garai, Antara; Naik, Pratyush Kumar; Adha, Jogesh Kumar; Kar, Sanjib","Synthesis and characterization of antimony(V)-oxo corrole complexes","Inorganica Chimica Acta","2020","501","","119300","","10.1016/j.ica.2019.119300","","","0.71073","MoKα","","0.0886","0.0515","","","0.1213","0.1425","","","","","","0.894","","","","has coordinates","271293","2021-12-09","09:44:07",""
"1565618","12.4741","0.0008","21.8912","0.001","10.7274","0.0006","90","","99.256","0.005","90","","2891.2","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H21 N4 Sb -","- C37 H23 N4 Sb -","- C148 H92 N16 Sb4 -","4","1","","Mondal, Sruti; Garai, Antara; Naik, Pratyush Kumar; Adha, Jogesh Kumar; Kar, Sanjib","Synthesis and characterization of antimony(V)-oxo corrole complexes","Inorganica Chimica Acta","2020","501","","119300","","10.1016/j.ica.2019.119300","","x-ray","0.71073","MoKα","","0.0632","0.0374","","","0.0742","0.0813","","","","","","1.024","","","","has coordinates","271293","2021-12-09","09:44:08",""
"1565619","23.249","0.005","30.222","0.006","14.769","0.003","90","","109.87","0.03","90","","9759","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H41.05 Br4 Cl0.95 Co2 N4 O13 -","- C40 H41.05 Br4 Cl0.95 Co2 N4 O13 -","- C320 H328.4 Br32 Cl7.6 Co16 N32 O104 -","8","1","","Dasgupta, Sanchari; Paul, Sanchita; Samanta, Debabrata; Hansda, Sili; Zangrando, Ennio; Das, Debasis","Catalytic promiscuity of two novel cobalt(III) complexes derived from redox non-innocent Schiff base ligands: Unraveling the role of methyl groups in the ligand backbone on catalytic efficiency","Inorganica Chimica Acta","2020","501","","119336","","10.1016/j.ica.2019.119336","","","0.7","synchrotron","","0.082","0.0726","","","0.2098","0.2184","","","","","","0.904","","","","has coordinates,has disorder","271294","2021-12-09","09:50:23",""
"1565620","18.7509","0.0009","18.7509","0.0009","30.2733","0.0015","90","","90","","90","","10644","0.9","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C92 H88 N24 O40 Zn8 -","- C92 H88 N24 O40 Zn8 -","- C368 H352 N96 O160 Zn32 -","4","0.25","","Bharati, Ashok Kumar; Somnath,; Lama, Prem; Siddiqui, Kafeel Ahmad","A novel mixed ligand Zn-coordination polymer: Synthesis, crystal structure, thermogravimetric analysis and photoluminescent properties","Inorganica Chimica Acta","2020","500","","119219","","10.1016/j.ica.2019.119219","","","0.71073","MoKα","","0.0196","0.0181","","","0.0455","0.0462","","","","","","1.03","","","","has coordinates","271295","2021-12-09","09:58:19",""
"1565621","10.4688","0.0009","22.4668","0.0018","17.8123","0.0014","90","","95.062","0.002","90","","4173.1","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H52 N2 O4 Ru -","- C44 H52 N2 O4 Ru -","- C176 H208 N8 O16 Ru4 -","4","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0808","0.0537","","","0.1133","0.126","","","","","","1.026","","","","has coordinates,has disorder","271296","2021-12-09","10:07:01",""
"1565622","10.749","0.0009","28.936","0.002","14.9381","0.0012","90","","90.768","0.001","90","","4645.8","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H58 Cl2 N2 O4 Ru -","- C47 H58 Cl2 N2 O4 Ru -","- C188 H232 Cl8 N8 O16 Ru4 -","4","0.5","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0898","0.0645","","","0.1792","0.1942","","","","","","1.067","","","","has coordinates","271297","2021-12-09","10:07:19",""
"1565623","11.568","0.0009","12.887","0.0011","16.036","0.0014","88.271","0.002","73.871","0.001","86.036","0.002","2290.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N2 O6 Ru -","- C46 H56 N2 O6 Ru -","- C92 H112 N4 O12 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0604","0.0452","","","0.1175","0.1286","","","","","","1.029","","","","has coordinates,has disorder","271298","2021-12-09","10:07:29",""
"1565624","11.874","0.0011","12.4289","0.0011","16.5981","0.0015","79.196","0.002","70.252","0.001","71.013","0.001","2171.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl2 N2 O4 Ru -","- C44 H50 Cl2 N2 O4 Ru -","- C88 H100 Cl4 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.055","0.0403","","","0.1003","0.1071","","","","","","1.063","","","","has coordinates","271299","2021-12-09","10:07:47",""
"1565625","10.742","0.0011","29.067","0.003","14.7649","0.0014","90","","90.801","0.002","90","","4609.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Br2 N2 O4 Ru -","- C44 H50 Br2 N2 O4 Ru -","- C176 H200 Br8 N8 O16 Ru4 -","4","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.1928","0.1357","","","0.396","0.4169","","","","","","1.323","","","","has coordinates","271300","2021-12-09","10:08:13",""
"1565626","11.036","0.0009","28.981","0.002","15.075","0.0013","90","","93.387","0.001","90","","4813.1","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H52 Cl2 F6 N2 O4 Ru -","- C47 H52 Cl2 F6 N2 O4 Ru -","- C188 H208 Cl8 F24 N8 O16 Ru4 -","4","0.5","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0937","0.0667","","","0.1749","0.1918","","","","","","1.065","","","","has coordinates,has disorder","271301","2021-12-09","10:08:25",""
"1565627","11.2303","0.0005","14.6384","0.0007","15.1708","0.0008","85.237","0.001","70.343","0.001","70.739","0.001","2216.08","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 Cl0 N2 O4 Ru -","- C46 H58 N2 O4 Ru -","- C92 H116 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0316","0.0276","","","0.0818","0.0894","","","","","","1.06","","","","has coordinates","271302","2021-12-09","10:08:38",""
"1565628","11.192","0.0009","14.709","0.0012","15.517","0.0013","84.469","0.002","69.644","0.001","69.009","0.001","2234.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl2 N2 O4 Ru -","- C44 H52 Cl2 N2 O4 Ru -","- C88 H104 Cl4 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0664","0.0477","","","0.1226","0.1342","","","","","","1.048","","","","has coordinates","271303","2021-12-09","10:08:49",""
"1565629","11.188","0.0009","14.9191","0.0011","15.6219","0.0012","84.157","0.003","76.936","0.002","69.651","0.001","2380.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 F6 N2 O4 Ru -","- C46 H52 F6 N2 O4 Ru -","- C92 H104 F12 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0566","0.0404","","","0.0918","0.0985","","","","","","1.045","","","","has coordinates,has disorder","271304","2021-12-09","10:08:59",""
"1565630","6.8291","0.0004","11.7622","0.0007","12.6198","0.0007","98.886","0.003","94.647","0.003","93.081","0.003","995.97","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 O18 Zn2 -","- C38 H44 O18 Zn2 -","- C38 H44 O18 Zn2 -","1","0.5","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0352","0.0248","","","0.0557","0.0596","","","","","","1.022","","","","has coordinates","271305","2021-12-09","10:23:07",""
"1565631","13.2419","0.0007","7.7558","0.0004","15.6016","0.0007","90","","108.253","0.002","90","","1521.68","0.13","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H30 N2 O10 S2 Zn -","- C28 H30 N2 O10 S2 Zn -","- C56 H60 N4 O20 S4 Zn2 -","2","1","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0765","0.0376","","","0.0612","0.0759","","","","","","1.097","","","","has coordinates","271306","2021-12-09","10:23:42",""
"1565632","10.6316","0.0006","11.6986","0.0007","14.0895","0.0008","96.653","0.002","102.794","0.002","111.997","0.002","1545.7","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H56 N8 O17 Zn2 -","- C69 H56 N8 O17 Zn2 -","- C69 H56 N8 O17 Zn2 -","1","0.5","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0458","0.0371","","","0.099","0.1038","","","","","","1.064","","","","has coordinates,has disorder","271307","2021-12-09","10:23:58",""
"1565633","23.016","0.0014","27.8171","0.0015","8.7942","0.0005","90","","102.896","0.002","90","","5488.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N2 O9 Zn -","- C28 H28 N2 O9 Zn -","- C224 H224 N16 O72 Zn8 -","8","1","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0686","0.0406","","","0.0868","0.0958","","","","","","1.049","","","","has coordinates","271308","2021-12-09","10:24:17",""
"1565634","9.5294","0.0006","11.8851","0.0005","16.5721","0.0009","91.86","0.004","91.189","0.005","106.871","0.005","1794.3","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H66 Cu2 N2 O9 P4 -","- C86 H66 Cu2 N2 O9 P4 -","- C86 H66 Cu2 N2 O9 P4 -","1","0.5","","Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.","Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation","Inorganica Chimica Acta","2020","500","","119209","","10.1016/j.ica.2019.119209","","","0.71073","MoKα","","0.0867","0.0575","","","0.1061","0.1256","","","","","","1.011","","","","has coordinates,has disorder","271309","2021-12-09","10:32:34",""
"1565635","19.647","0.0004","20.4675","0.0003","32.2455","0.0006","90","","96.697","0.002","90","","12878.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C126 H108 Cu3 N2 O10 P6 S2 -","- C126 H108 Cu3 N2 O10 P6 S2 -","- C504 H432 Cu12 N8 O40 P24 S8 -","4","1","","Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.","Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation","Inorganica Chimica Acta","2020","500","","119209","","10.1016/j.ica.2019.119209","","","1.54184","CuKα","","0.08","0.0675","","","0.176","0.1837","","","","","","0.959","","","","has coordinates","271309","2021-12-09","10:32:35",""
"1565636","18.9026","0.0006","9.7615","0.0003","26.2615","0.0009","90","","109.512","0.004","90","","4567.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 Cl2 Cu2 P3 -","- C54 H45 Cl2 Cu2 P3 -","- C216 H180 Cl8 Cu8 P12 -","4","1","","Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.","Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation","Inorganica Chimica Acta","2020","500","","119209","","10.1016/j.ica.2019.119209","","","1.54184","CuKα","","0.0585","0.0431","","","0.1099","0.1237","","","","","","1.021","","","","has coordinates","271309","2021-12-09","10:32:35",""
"1565637","10.2819","0.0003","15.8749","0.0004","39.0934","0.0015","90","","90","","90","","6381","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 N3 Ni O2 P -","- C36 H34 N3 Ni O2 P -","- C288 H272 N24 Ni8 O16 P8 -","8","2","","Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.","Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles","Inorganica Chimica Acta","2020","500","","119222","","10.1016/j.ica.2019.119222","","","0.71073","MoKα","","0.0816","0.0524","","","0.1159","0.1271","","","","","","0.927","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1565638","8.5892","0.0003","24.3456","0.0012","10.7224","0.0004","90","","95.607","0.003","90","","2231.43","0.16","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 Ni O2 -","- C24 H26 N4 Ni O2 -","- C96 H104 N16 Ni4 O8 -","4","1","","Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.","Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles","Inorganica Chimica Acta","2020","500","","119222","","10.1016/j.ica.2019.119222","","","0.71073","MoKα","","0.0565","0.0331","","","0.0747","0.0803","","","","","","0.941","","","","has coordinates","271310","2021-12-09","10:48:01",""
"1565639","15.137","0.0008","6.0223","0.0003","21.6711","0.001","90","","95.678","0.002","90","","1965.84","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 Ni O2 -","- C24 H19 N3 Ni O2 -","- C96 H76 N12 Ni4 O8 -","4","1","","Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.","Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles","Inorganica Chimica Acta","2020","500","","119222","","10.1016/j.ica.2019.119222","","","1.54178","CuKα","","0.0538","0.0313","","","0.0964","0.1084","","","","","","1.052","","","","has coordinates","271310","2021-12-09","10:48:12",""
"1565643","9.9509","0.0004","10.7756","0.0006","12.2089","0.0007","75.073","0.005","86.887","0.004","68.26","0.005","1173.74","0.12","292.9","0.1","292.9","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Co2 N2 O10 -","- C21 H26 Co2 N2 O10 -","- C42 H52 Co4 N4 O20 -","2","1","","Pu, Lu-Mei; Yu, Meng; Zhang, Yu; Long, Hai-Tao; Xu, Wei-Bing; Dong, Wen-Kui","Tetranuclear cobalt(II) and nickel(II) complexes with an unsymmetrical salamo-like ligand: Structural characterization, Hirshfeld analysis and fluorescent properties","Inorganica Chimica Acta","2020","500","","119238","","10.1016/j.ica.2019.119238","","x-ray","0.71073","MoKα","","0.0484","0.039","","","0.0812","0.0889","","","","","","1.033","","","","has coordinates","271319","2021-12-10","08:34:14",""
"1565644","13.3288","0.0002","13.447","0.0003","14.506","0.0003","90","","112.373","0.001","90","","2404.24","0.08","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N6 Ni4 O18 -","- C44 H48 N6 Ni4 O18 -","- C88 H96 N12 Ni8 O36 -","2","0.5","","Pu, Lu-Mei; Yu, Meng; Zhang, Yu; Long, Hai-Tao; Xu, Wei-Bing; Dong, Wen-Kui","Tetranuclear cobalt(II) and nickel(II) complexes with an unsymmetrical salamo-like ligand: Structural characterization, Hirshfeld analysis and fluorescent properties","Inorganica Chimica Acta","2020","500","","119238","","10.1016/j.ica.2019.119238","","","0.71073","MoKα","","0.057","0.0414","","","0.1133","0.1229","","","","","","1.091","","","","has coordinates","271319","2021-12-10","08:34:19",""
"1565645","12.7237","0.0007","14.7337","0.0006","15.8914","0.0008","68.71","0.002","86.308","0.002","66.439","0.002","2533","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 Dy2 N7 O12 -","- C52 H47 Dy2 N7 O12 -","- C104 H94 Dy4 N14 O24 -","2","1","","Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei","Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters","Inorganica Chimica Acta","2020","500","","119242","","10.1016/j.ica.2019.119242","","","0.71073","MoKα","","0.1026","0.0471","","","0.0861","0.1114","","","","","","1.094","","","","has coordinates","271320","2021-12-10","08:41:41",""
"1565646","14.2737","0.0007","15.2603","0.0008","15.2603","0.0008","71.83","","86.193","0.002","86.193","0.002","3147.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H60 Dy2 N6 O14 -","- C67 H60 Dy2 N6 O14 -","- C134 H120 Dy4 N12 O28 -","2","1","","Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei","Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters","Inorganica Chimica Acta","2020","500","","119242","","10.1016/j.ica.2019.119242","","","0.71073","MoKα","","0.0403","0.027","","","0.053","0.0575","","","","","","1.007","","","","has coordinates","271321","2021-12-10","08:42:17",""
"1565647","17.034","0.0008","9.273","0.0004","19.0118","0.0009","90","","90.381","0.001","90","","3003","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Dy2 N6 O12 -","- C54 H52 Dy2 N6 O12 -","- C108 H104 Dy4 N12 O24 -","2","0.5","","Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei","Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters","Inorganica Chimica Acta","2020","500","","119242","","10.1016/j.ica.2019.119242","","","0.71073","MoKα","","0.1121","0.0856","","","0.2218","0.2398","","","","","","1.011","","","","has coordinates","271322","2021-12-10","08:42:35",""
"1565648","8.0426","0.0004","13.5955","0.0007","20.1611","0.001","90","","92.723","0.002","90","","2201.99","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl2 Cu3 N8 O18 -","- C32 H56 Cl2 Cu3 N8 O18 -","- C64 H112 Cl4 Cu6 N16 O36 -","2","0.5","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0503","0.0437","","","0.1151","0.1196","","","","","","1.03","","","","has coordinates","271323","2021-12-10","08:55:42",""
"1565649","14.2688","0.0012","7.9693","0.0007","14.627","0.0012","90","","117.759","0.003","90","","1471.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cu3 N10 O14 -","- C18 H40 Cu3 N10 O14 -","- C36 H80 Cu6 N20 O28 -","2","0.5","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0466","0.0359","","","0.0855","0.0933","","","","","","1.059","","","","has coordinates","271323","2021-12-10","08:55:47",""
"1565650","7.8091","0.0002","11.1617","0.0003","13.1597","0.0004","109.477","0.001","96.25","0.002","101.096","0.002","1042.46","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 Cl2 Cu3 N10 O16 -","- C32 H54 Cl2 Cu3 N10 O16 -","- C32 H54 Cl2 Cu3 N10 O16 -","1","0.5","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0311","0.024","","","0.0589","0.0615","","","","","","0.926","","","","has coordinates","271323","2021-12-10","08:55:48",""
"1565651","28.2935","0.0017","16.0983","0.001","9.4738","0.0005","90","","90","","90","","4315.1","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Cu(2,5-pydc)(L)(ClO4)(H2O)","","","- C35 H51 Cl2 Cu2 N11 O13 -","- C35 H51 Cl2 Cu2 N11 O13 -","- C140 H204 Cl8 Cu8 N44 O52 -","4","1","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0664","0.0438","","","0.0887","0.0975","","","","","","1.022","","","","has coordinates,has disorder","271323","2021-12-10","08:55:48",""
"1565652","7.7746","0.0002","27.9151","0.0009","10.9829","0.0004","90","","100.812","0.001","90","","2341.29","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(bdmpzpy)(2,6-pydc)]1.5H2O","","","- C24 H27 Cu N6 O5.5 -","- C24 H27 Cu N6 O5.5 -","- C96 H108 Cu4 N24 O22 -","4","2","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0255","0.0245","","","0.0645","0.065","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565653","15.0088","0.0006","15.0088","0.0006","14.5806","0.0013","90","","90","","90","","3284.5","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 N2 O12 Tb1.38 -","- C14 H6 N2 O12 Tb1.375 -","- C112 H48 N16 O96 Tb11 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0375","0.0355","","","0.0857","0.0875","","","","","","1.041","","","","has coordinates,has disorder","271324","2021-12-10","09:02:58",""
"1565654","14.9801","0.0002","14.9801","0.0002","14.6127","0.0003","90","","90","","90","","3279.14","0.09","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 Ho1.38 N2 O12 -","- C14 H6 Ho1.375 N2 O12 -","- C112 H48 Ho11 N16 O96 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0346","0.0335","","","0.0861","0.0871","","","","","","1.055","","","","has coordinates,has disorder","271324","2021-12-10","09:02:59",""
"1565655","14.951","0.0002","14.951","0.0002","14.61","0.0003","90","","90","","90","","3265.81","0.09","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 Er1.38 N2 O12 -","- C14 H6 Er1.375 N2 O12 -","- C112 H48 Er11 N16 O96 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0368","0.0349","","","0.0838","0.0851","","","","","","1.05","","","","has coordinates,has disorder","271324","2021-12-10","09:02:59",""
"1565656","18.0407","0.0016","7.3919","0.0006","7.3131","0.0005","90","","100.146","0.002","90","","959.99","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl6 Cu N4 -","- C12 H16 Cl6 Cu N4 -","- C24 H32 Cl12 Cu2 N8 -","2","0.5","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0628","0.0639","","","","","","1.096","","","","has coordinates,has disorder","271325","2021-12-10","09:16:31",""
"1565657","7.0774","0.0015","7.9387","0.0018","9.1489","0.0019","85.183","0.007","89.169","0.006","89.977","0.007","512.16","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl6 Cu N4 O2 -","- C12 H20 Cl6 Cu N4 O2 -","- C12 H20 Cl6 Cu N4 O2 -","1","0.5","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0233","0.0218","","","0.0604","0.0613","","","","","","1.076","","","","has coordinates","271325","2021-12-10","09:16:36",""
"1565658","7.167","0.0017","8.721","0.002","16.269","0.004","82.437","0.008","80.791","0.008","77.885","0.008","976.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cl6 Cu N4 O -","- C12 H18 Cl6 Cu N4 O -","- C24 H36 Cl12 Cu2 N8 O2 -","2","1","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0305","0.0249","","","0.06","0.0618","","","","","","1.067","","","","has coordinates","271325","2021-12-10","09:16:39",""
"1565659","8.732","0.003","9.132","0.003","9.792","0.003","105.909","0.009","102.298","0.009","111.663","0.01","653.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Cl4 Cu N2 -","- C9 H12 Cl4 Cu N2 -","- C18 H24 Cl8 Cu2 N4 -","2","1","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0261","0.0228","","","0.0557","0.0571","","","","","","1.048","","","","has coordinates","271325","2021-12-10","09:16:53",""
"1565660","7.3697","0.0018","9.367","0.002","14.889","0.004","92.253","0.007","95.743","0.008","111.363","0.006","949.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl6 Co N4 -","- C12 H16 Cl6 Co N4 -","- C24 H32 Cl12 Co2 N8 -","2","1","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0246","0.0218","","","0.0547","0.0559","","","","","","1.066","","","","has coordinates","271325","2021-12-10","09:16:54",""
"1565675","14.32","0.004","16.428","0.004","16.311","0.004","90","","100.123","0.007","90","","3777.4","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu N4 -","- C22 H22 Cu N4 -","- C176 H176 Cu8 N32 -","8","2","","Mondal, Rakesh; Chakraborty, Gargi; van Vliet, Kaj M.; van Leest, Nicolaas P.; de Bruin, Bas; Paul, Nanda D.","Copper-catalyzed oxidative dehydrogenative functionalization of alkanes to allylic esters","Inorganica Chimica Acta","2020","500","","119190","","10.1016/j.ica.2019.119190","","","0.71073","MoKα","","0.0641","0.0497","","","0.1148","0.1202","","","","","","1.68","","","","has coordinates","271350","2021-12-13","08:50:35",""
"1565676","8.128","0.0008","10.0921","0.001","11.5611","0.0011","81.617","0.003","71.377","0.003","69.912","0.003","843.32","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 Cu2 N4 O4 -","- C32 H32 Cl4 Cu2 N4 O4 -","- C32 H32 Cl4 Cu2 N4 O4 -","1","0.5","","Mukherjee, Aparajita; Basu, Semanti; Bhattacharya, Samaresh","Copper complexes of 1,4-diazabutadiene ligands: Tuning of metal oxidation state and, application in catalytic C-C and C-N bond formation","Inorganica Chimica Acta","2020","500","","119228","","10.1016/j.ica.2019.119228","","","0.71073","MoKα","","0.073","0.0479","","","0.1298","0.1507","","","","","","0.896","","","","has coordinates","271351","2021-12-13","08:54:49",""
"1565677","8.013","0.0014","11.717","0.002","34.489","0.007","90","","95.018","0.011","90","","3225.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 Cu2 N4 O4 -","- C32 H32 Cl2 Cu2 N4 O4 -","- C128 H128 Cl8 Cu8 N16 O16 -","4","1","","Mukherjee, Aparajita; Basu, Semanti; Bhattacharya, Samaresh","Copper complexes of 1,4-diazabutadiene ligands: Tuning of metal oxidation state and, application in catalytic C-C and C-N bond formation","Inorganica Chimica Acta","2020","500","","119228","","10.1016/j.ica.2019.119228","","","0.71073","MoKα","","0.1912","0.0633","","","0.1368","0.1833","","","","","","0.921","","","","has coordinates","271351","2021-12-13","08:54:52",""
"1565678","24.7944","0.001","8.0362","0.0003","8.6956","0.0004","90","","90","","90","","1732.62","0.12","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H20 Mn N2 O4 -","- C19 H20 Mn N2 O4 -","- C76 H80 Mn4 N8 O16 -","4","0.5","","Banerjee, Saikat; Ghorai, Pravat; Sarkar, Papiya; Panja, Anangamohan; Saha, Amrita","A rare flattened tetrahedral Mn(II) salen type complex: Synthesis, crystal structure, biomimetic catalysis and DFT study","Inorganica Chimica Acta","2020","499","","119176","","10.1016/j.ica.2019.119176","","","0.71073","MoKα","","0.0585","0.0477","","","0.1495","0.1598","","","","","","1.061","","","","has coordinates","271352","2021-12-13","08:59:22",""
"1565679","9.7089","0.0004","9.7089","0.0004","14.5943","0.0016","90","","90","","90","","1375.7","0.17","150","2","150","2","","","","","","","","6","P -4","P -4","81","","","","- Cl H57 Mo8 N12 O56.5 P9 -","- Cl H57 Mo8 N12 O56.5 P9 -","- Cl H57 Mo8 N12 O56.5 P9 -","1","0.25","","Jiang, Zhongqi; Chen, Wenqiang; Jing, Qun; Lee, Ming-Hsien; Chen, Zhaohui","[NH4]12[(MoO2)2O(HPO4)2]4[PO4]Cl·0.5H2O: A mixed phosphomolybdate with nonlinear optical properties","Inorganica Chimica Acta","2020","499","","119198","","10.1016/j.ica.2019.119198","","","0.71073","MoKα","","0.0142","0.0139","","","0.0341","0.0342","","","","","","1.116","","","","has coordinates","271353","2021-12-13","09:04:51",""
"1565680","16.742","0.003","19.257","0.004","19.408","0.004","69.79","0.03","72.86","0.03","75","0.03","5524","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H222 Gd12 N18 O89 Zn -","- C128 H206 Gd12 N18 O89 Zn -","- C128 H206 Gd12 N18 O89 Zn -","1","0.5","","Zhang, Lun; Yang, Pei-Pei; Li, Ling-Fei; Hu, Yi-Ye; Mei, Xue-Lan","A tridecanuclear {ZnGd12} nanoscopic cluster exhibiting large magnetocaloric effect","Inorganica Chimica Acta","2020","499","","119170","","10.1016/j.ica.2019.119170","","","0.71073","MoKα","","0.0731","0.0602","","","0.1635","0.1751","","","","","","1.084","","","","has coordinates,has disorder","271354","2021-12-13","09:18:28",""
"1565681","8.9367","0.0018","20.542","0.004","11.815","0.002","90","","111.47","0.03","90","","2018.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl Cu N4 O5 -","- C19 H19 Cl Cu N4 O5 -","- C76 H76 Cl4 Cu4 N16 O20 -","4","1","","Albobaledi, Zeinab; Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Abbasi, Alireza","Mixed ligand Cu(II) complexes of an unsymmetrical Schiff base ligand and N-donor heterocyclic co-ligands: Investigation of the effect of co-ligand on the antibacterial properties","Inorganica Chimica Acta","2020","499","","119185","","10.1016/j.ica.2019.119185","","x-ray","0.71073","MoKα","","0.0807","0.0744","","","0.1811","0.1852","","","","","","1.166","","","","has coordinates,has disorder","271355","2021-12-13","09:26:12",""
"1565682","10.536","0.002","19.632","0.004","13.927","0.003","90","","90","","90","","2880.7","1","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H35 Cl Cu N4 O5 -","- C27 H35 Cl Cu N4 O5 -","- C108 H140 Cl4 Cu4 N16 O20 -","4","1","","Albobaledi, Zeinab; Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Abbasi, Alireza","Mixed ligand Cu(II) complexes of an unsymmetrical Schiff base ligand and N-donor heterocyclic co-ligands: Investigation of the effect of co-ligand on the antibacterial properties","Inorganica Chimica Acta","2020","499","","119185","","10.1016/j.ica.2019.119185","","x-ray","0.71073","MoKα","","0.0533","0.0498","","","0.1302","0.1336","","","","","","1.089","","","","has coordinates","271355","2021-12-13","09:26:13",""
"1565683","9.5607","0.0004","17.4051","0.0006","18.0161","0.0007","112.117","0.004","97.937","0.003","103.094","0.003","2621","0.2","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Mn2 N8 O8 -","- C60 H56 Mn2 N8 O8 -","- C120 H112 Mn4 N16 O16 -","2","1","","Yuan, Fei; Yu, Hong-Shuai; Yuan, Chun-Mei; Zhou, Chun-Sheng; Li, Fei; Lu, Yu-Jiao; Ling, Xin-Yu; Wang, Jun; Singh, Amita; Kumar, Abhinav","Structures and photocatalytic properties of two Mn(II)-based coordination polymers","Inorganica Chimica Acta","2020","499","","119189","","10.1016/j.ica.2019.119189","","x-ray","1.54184","CuKα","","0.0692","0.0495","","","0.1215","0.1375","","","","","","1.029","","","","has coordinates","271356","2021-12-13","09:36:09",""
"1565684","8.4628","0.0004","10.6899","0.0004","30.5521","0.0015","90","","97.393","0.005","90","","2741","0.2","250","0.1","250","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Mn N4 O4 -","- C32 H28 Mn N4 O4 -","- C128 H112 Mn4 N16 O16 -","4","1","","Yuan, Fei; Yu, Hong-Shuai; Yuan, Chun-Mei; Zhou, Chun-Sheng; Li, Fei; Lu, Yu-Jiao; Ling, Xin-Yu; Wang, Jun; Singh, Amita; Kumar, Abhinav","Structures and photocatalytic properties of two Mn(II)-based coordination polymers","Inorganica Chimica Acta","2020","499","","119189","","10.1016/j.ica.2019.119189","","x-ray","1.54184","CuKα","","0.1847","0.142","","","0.3695","0.3996","","","","","","1.057","","","","has coordinates","271356","2021-12-13","09:36:11",""
"1565685","9.218","0.0009","14.5123","0.0015","21.0281","0.0019","90","","95.843","0.004","90","","2798.4","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cd N4 O5 -","- C26 H36 Cd N4 O5 -","- C104 H144 Cd4 N16 O20 -","4","1","","Zhao, Fang-Hua; Huang, Long-Wei; He, Yuan-Chun; Yan, Xiao-Qing; Li, Zhong-Lin; Jia, Xin-Meng; Feng, Rui; Li, Jia-Xing; You, Jin-Mao","Two entangled Cd(II) MOFs of sebacic acid and bis(2-methyl-imidazole) ligands for selective sensing of Fe3+","Inorganica Chimica Acta","2020","499","","119184","","10.1016/j.ica.2019.119184","","","0.71073","MoKα","","0.0877","0.0666","","","0.1729","0.1998","","","","","","1.091","","","","has coordinates","271357","2021-12-13","09:45:45",""
"1565686","11.1864","0.0007","11.5213","0.0007","11.567","0.0007","110.794","0.003","107.596","0.003","91.783","0.003","1312.34","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Cd N4 O4 -","- C26 H34 Cd N4 O4 -","- C52 H68 Cd2 N8 O8 -","2","1","","Zhao, Fang-Hua; Huang, Long-Wei; He, Yuan-Chun; Yan, Xiao-Qing; Li, Zhong-Lin; Jia, Xin-Meng; Feng, Rui; Li, Jia-Xing; You, Jin-Mao","Two entangled Cd(II) MOFs of sebacic acid and bis(2-methyl-imidazole) ligands for selective sensing of Fe3+","Inorganica Chimica Acta","2020","499","","119184","","10.1016/j.ica.2019.119184","","","0.71073","MoKα","","0.0539","0.0367","","","0.0719","0.078","","","","","","1.024","","","","has coordinates","271357","2021-12-13","09:45:49",""
"1565687","9.253","0.007","9.338","0.007","11.101","0.009","66.54","0.01","66.118","0.01","66.799","0.009","773","1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cu2 F2 N6 O11 -","- C29 H24 Cu2 F2 N6 O11 -","- C29 H24 Cu2 F2 N6 O11 -","1","0.5","","Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi","Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties","Inorganica Chimica Acta","2020","499","","119186","","10.1016/j.ica.2019.119186","","","0.71073","MoKα","","0.0525","0.048","","","0.1537","0.1598","","","","","","1.065","","","","has coordinates,has disorder","271358","2021-12-13","09:51:19",""
"1565688","7.4839","0.0013","10.6238","0.0018","11.0673","0.0019","102.591","0.003","95.889","0.002","98.472","0.002","841.1","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cl2 Cu2 N6 O12 -","- C30 H28 Cl2 Cu2 N6 O12 -","- C30 H28 Cl2 Cu2 N6 O12 -","1","0.5","","Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi","Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties","Inorganica Chimica Acta","2020","499","","119186","","10.1016/j.ica.2019.119186","","","0.71073","MoKα","","0.0353","0.0292","","","0.081","0.0845","","","","","","1.072","","","","has coordinates","271358","2021-12-13","09:51:30",""
"1565689","9.4084","0.0014","14.848","0.002","13.645","0.002","90","","106.503","0.002","90","","1827.6","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br2 Cu2 N6 O12 -","- C32 H30 Br2 Cu2 N6 O12 -","- C64 H60 Br4 Cu4 N12 O24 -","2","0.5","","Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi","Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties","Inorganica Chimica Acta","2020","499","","119186","","10.1016/j.ica.2019.119186","","","0.71073","MoKα","","0.0516","0.0366","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","271358","2021-12-13","09:51:33",""
"1565690","11.91","0.005","16.937","0.008","23.503","0.01","97.778","0.019","93.331","0.01","103.871","0.008","4540","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Br2 F36 Gd2 N8 O20 -","- C70 H60 Br2 F36 Gd2 N8 O20 -","- C140 H120 Br4 F72 Gd4 N16 O40 -","2","1","","Li, Hongdao; Xie, Jing; Xi, Lu; Zhai, Lijun; Niu, Yulan","Nitronyl nitroxide biradical-supported lanthanide hetero-spin compounds: Magnetic relaxation in Dy analogue","Inorganica Chimica Acta","2020","499","","119188","","10.1016/j.ica.2019.119188","","","0.71073","MoKα","","0.1999","0.1458","","","0.304","0.3279","","","","","","0.98","","","","has coordinates,has disorder","271359","2021-12-13","09:56:30",""
"1565691","20.5787","0.0019","23.2891","0.0017","23.7782","0.0017","90","","120.009","0.006","90","","9868.3","1.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Br2 Dy2 F36 N8 O20 -","- C70 H60 Br2 Dy2 F36 N8 O20 -","- C280 H240 Br8 Dy8 F144 N32 O80 -","4","1","","Li, Hongdao; Xie, Jing; Xi, Lu; Zhai, Lijun; Niu, Yulan","Nitronyl nitroxide biradical-supported lanthanide hetero-spin compounds: Magnetic relaxation in Dy analogue","Inorganica Chimica Acta","2020","499","","119188","","10.1016/j.ica.2019.119188","","","0.71073","MoKα","","0.0818","0.0573","","","0.1569","0.1732","","","","","","0.962","","","","has coordinates,has disorder","271359","2021-12-13","09:56:41",""
"1565692","15.363","0.0012","7.5405","0.0006","19.6174","0.0015","90","","91.634","0.003","90","","2271.6","0.3","103","2","102.91","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C112 H96 N8 O20 -","4","0.5","","Chandra, Rukhmani; Manna, Amit Kumar; Sahu, Meman; Rout, Kalyani; Patra, Goutam K.","Simple salicylaldimine-functionalized dipodal bis Schiff base chromogenic and fluorogenic chemosensors for selective and sensitive detection of Al3+ and Cr3+","Inorganica Chimica Acta","2020","499","","119192","","10.1016/j.ica.2019.119192","","","0.71073","MoKα","","0.0914","0.0636","","","0.1709","0.2018","","","","","","1.043","","","","has coordinates","271360","2021-12-13","10:17:09",""
"1565693","9.8715","0.0004","11.3464","0.0005","14.1714","0.0005","77.659","0.002","72.291","0.0018","74.008","0.002","1438.85","0.1","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H45 Cl3 N8 O4 Sm2 -","- C16 H45 Cl3 N8 O4 Sm2 -","- C32 H90 Cl6 N16 O8 Sm4 -","2","1","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0659","0.0342","","","0.0509","0.0584","","","","","","1.005","","","","has coordinates","271362","2021-12-13","10:31:24",""
"1565694","9.827","0.006","11.23","0.006","14.052","0.009","77.34","0.03","72.255","0.019","74.236","0.014","1405.6","1.5","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H45 Cl3 Eu2 N8 O4 -","- C16 H45 Cl3 Eu2 N8 O4 -","- C32 H90 Cl6 Eu4 N16 O8 -","2","1","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0656","0.0377","","","0.0778","0.0903","","","","","","0.998","","","","has coordinates","271362","2021-12-13","10:31:25",""
"1565695","17.5","0.002","10.0536","0.0012","22.552","0.002","90","","109.109","0.003","90","","3749.1","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 N20 O14 Y6 -","- C40 H112 Cl6 N20 O14 Y6 -","- C80 H224 Cl12 N40 O28 Y12 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0627","0.0363","","","0.0785","0.0872","","","","","","1.096","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565696","17.4291","0.0008","9.9011","0.0004","22.5403","0.001","90","","108.555","0.002","90","","3687.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Gd6 N20 O14 -","- C40 H112 Cl6 Gd6 N20 O12 -","- C80 H224 Cl12 Gd12 N40 O24 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0759","0.0443","","","0.1103","0.1409","","","","","","1.171","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565697","17.5183","0.0014","10.0612","0.001","22.586","0.002","90","","109.003","0.003","90","","3763.9","0.6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Dy6 N20 O14 -","- C40 H112 Cl6 Dy6 N20 O14 -","- C80 H224 Cl12 Dy12 N40 O28 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0405","0.0282","","","0.0596","0.0637","","","","","","1.068","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565698","17.4384","0.001","9.9388","0.0005","22.5206","0.0012","90","","108.637","0.002","90","","3698.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 N20 O14 Tb6 -","- C40 H112 Cl6 N20 O14 Tb6 -","- C80 H224 Cl12 N40 O28 Tb12 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0522","0.0315","","","0.0582","0.0649","","","","","","1.013","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565699","17.464","0.001","10.0245","0.0006","22.6388","0.0015","90","","109.19","0.002","90","","3743.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Ho6 N20 O14 -","- C40 H112 Cl6 Ho6 N20 O14 -","- C80 H224 Cl12 Ho12 N40 O28 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0464","0.0293","","","0.0714","0.0786","","","","","","1.059","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565700","17.431","0.0011","10.0145","0.0007","22.5019","0.0015","90","","108.948","0.002","90","","3715.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Er6 N20 O14 -","- C40 H112 Cl6 Er6 N20 O14 -","- C80 H224 Cl12 Er12 N40 O28 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0482","0.0316","","","0.0607","0.0669","","","","","","1.078","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565701","17.415","0.002","10.0407","0.0011","22.5","0.003","90","","109.204","0.004","90","","3715.4","0.8","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 N20 O14 Tm6 -","- C40 H112 Cl6 N20 O14 Tm6 -","- C80 H224 Cl12 N40 O28 Tm12 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0648","0.0383","","","0.0773","0.0869","","","","","","1.028","","","","has coordinates","271362","2021-12-13","10:31:26",""
"1565702","8.0417","0.0007","12.4096","0.0011","12.4633","0.0012","119.299","0.003","90.022","0.003","99.68","0.003","1064.26","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Cl4 N2 O20 -","- C38 H52 Cl4 N2 O20 -","- C38 H52 Cl4 N2 O20 -","1","0.5","","Deems, Justin C.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Strategies for a fluorescent sensor with receptor and fluorophore designed for the recognition of heavy metal ions","Inorganica Chimica Acta","2020","499","","119181","","10.1016/j.ica.2019.119181","","x-ray","0.71073","MoKα","","0.2253","0.0948","","","0.1534","0.192","","","","","","1.018","","","","has coordinates","271363","2021-12-13","10:40:54",""
"1565703","15.3715","0.0007","14.3081","0.0006","21.6132","0.0009","90","","99.537","0.002","90","","4687.8","0.4","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H55 Cl2 N2 O24.5 Pb -","- C36 H55 Cl2 N2 O24.5 Pb -","- C144 H220 Cl8 N8 O98 Pb4 -","4","0.5","","Deems, Justin C.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Strategies for a fluorescent sensor with receptor and fluorophore designed for the recognition of heavy metal ions","Inorganica Chimica Acta","2020","499","","119181","","10.1016/j.ica.2019.119181","","x-ray","0.71073","MoKα","","0.0292","0.0238","","","0.0535","0.0556","","","","","","1.039","","","","has coordinates,has disorder","271363","2021-12-13","10:40:56",""
"1565704","13.4875","0.0006","25.2151","0.0012","24.4961","0.0012","90","","105.253","0.001","90","","8037.4","0.7","110","","110.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Ag Cl N2 O16 -","- C36 H46 Ag Cl N2 O16 -","- C288 H368 Ag8 Cl8 N16 O128 -","8","2","","Deems, Justin C.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Strategies for a fluorescent sensor with receptor and fluorophore designed for the recognition of heavy metal ions","Inorganica Chimica Acta","2020","499","","119181","","10.1016/j.ica.2019.119181","","x-ray","0.71073","MoKα","","0.053","0.045","","","0.1102","0.1157","","","","","","1.074","","","","has coordinates,has disorder","271363","2021-12-13","10:40:56",""
"1565705","14.9523","0.0012","14.9523","0.0012","39.342","0.006","90","","90","","120","","7617.3","1.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C44 H48 Cu2 N32 O16 S8 -","- C44 H48 Cu2 N32 O15.9998 S8 -","- C88 H96 Cu4 N64 O31.9996 S16 -","2","0.0833333","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71073","MoKα","","0.1402","0.0992","","","0.1947","0.2096","","","","","","1.18","","","","has coordinates","271364","2021-12-13","10:47:18",""
"1565706","15.599","0.005","10.704","0.005","21.315","0.007","90","","105","0.02","90","","3438","2","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C18 H18 Cl2 Cu N12 O9 -","- C18 H18 Cl2 Cu N12 O9 -","- C72 H72 Cl8 Cu4 N48 O36 -","4","0.5","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71069","MoKα","","0.2358","0.2258","","","0.46","0.4644","","","","","","1.188","","","","has coordinates","271364","2021-12-13","10:47:30",""
"1565707","14.925","0.005","15.983","0.005","11.551","0.005","90","0.005","90","0.005","90","0.005","2755.4","1.7","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C36 H36 Cl2 Cu2 N26 O23 -","- C36 H36 Cl2 Cu2 N26 O23 -","- C72 H72 Cl4 Cu4 N52 O46 -","2","0.5","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71069","MoKα","","0.107","0.0938","","","0.2032","0.2102","","","","","","1.107","","","","has coordinates,has disorder","271364","2021-12-13","10:47:32",""
"1565708","13.464","0.003","17.063","0.003","17.642","0.004","68.5","0.03","68.72","0.03","88.95","0.03","3483","1.7","113","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H61 Dy2 N O14 -","- C75.75 H59.125 Dy2 N O14 -","- C151.5 H118.25 Dy4 N2 O28 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.1035","0.077","","","0.1924","0.217","","","","","","1.122","","","","has coordinates,has disorder","271365","2021-12-13","12:39:18",""
"1565709","13.583","0.003","17.041","0.003","17.534","0.004","110.17","0.03","112.67","0.03","90.03","0.03","3473.4","1.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H60.5 Cl Dy2 O14.5 -","- C77 H60.5 Cl Dy2 O14.25 -","- C154 H121 Cl2 Dy4 O28.5 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.0581","0.05","","","0.1347","0.1433","","","","","","1.045","","","","has coordinates","271365","2021-12-13","12:39:31",""
"1565710","13.42","0.003","17.024","0.003","17.067","0.003","71.46","0.03","67.42","0.03","89.4","0.03","3385.6","1.6","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H58 Er2 O14 -","- C76 H58 Er2 O14 -","- C152 H116 Er4 O28 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.0653","0.0516","","","0.1378","0.1523","","","","","","1.073","","","","has coordinates","271365","2021-12-13","12:39:43",""
"1565711","13.749","0.003","17.078","0.003","17.15","0.003","108.54","0.03","113.32","0.03","90.32","0.03","3465.8","1.7","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C77.25 H60.5 Cl2.5 Er2 O14 -","- C77.25 H60.5 Cl2.5 Er2 O14 -","- C154.5 H121 Cl5 Er4 O28 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.0572","0.0429","","","0.0967","0.1048","","","","","","1.032","","","","has coordinates,has disorder","271365","2021-12-13","12:39:48",""
"1565712","10.6783","0.0002","10.6783","0.0002","37.8191","0.0007","90","","90","","120","","3734.62","0.12","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C26 H26 N4 O4 Ru -","- C26 H26 N4 O4 Ru -","- C156 H156 N24 O24 Ru6 -","6","1","","Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations","Inorganica Chimica Acta","2020","499","","119193","","10.1016/j.ica.2019.119193","","","0.71073","MoKα","","0.0305","0.0296","","","0.0721","0.0727","","","","","","1.071","","","","has coordinates,has disorder","271366","2021-12-13","12:48:31",""
"1565713","11.4893","0.0009","29.335","0.002","24.2604","0.0017","90","","97.376","0.007","90","","8109","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H27 Cl N7 Ru -","- C37 H27 Cl N7 Ru -","- C296 H216 Cl8 N56 Ru8 -","8","1","","Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations","Inorganica Chimica Acta","2020","499","","119193","","10.1016/j.ica.2019.119193","","","0.71073","MoKα","","0.1463","0.0919","","","0.2408","0.2968","","","","","","1.052","","","","has coordinates","271366","2021-12-13","12:48:39",""
"1565714","11.8605","0.0002","13.5233","0.0003","14.3278","0.0003","67.07","0.002","76.321","0.002","67.853","0.002","1949.49","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H38 Cl N8 O4 Os -","- C45 H38 Cl N8 O4 Os -","- C90 H76 Cl2 N16 O8 Os2 -","2","1","","Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations","Inorganica Chimica Acta","2020","499","","119193","","10.1016/j.ica.2019.119193","","x-ray","0.71073","MoKα","","0.0381","0.0326","","","0.0717","0.0744","","","","","","1.04","","","","has coordinates","271366","2021-12-13","12:48:49",""
"1566037","18.3434","0.0017","6.7313","0.0008","10.8844","0.0012","90","","90","","90","","1344","0.3","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","Bredigite","","","- Ca7 Mg O16 Si4 -","- Ca7 Mg O16 Si4 -","- Ca28 Mg4 O64 Si16 -","4","0.5","","Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi","Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite","Crystals","2020","11","1","14","","10.3390/cryst11010014","","","0.71073","MoKα","","0.0675","0.0472","","","0.1157","0.1289","","","","","","1.004","","","","has coordinates","272127","2022-01-19","09:39:56",""
"1566069","9.2477","0.0003","19.5475","0.0005","6.9631","0.0002","90","","111.311","0.003","90","","1172.65","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Potassium [poly-bis(η2-peroxido)oxido-μ-(1-oxo-κO-pyridine-4-carboxylate-κO)]molybdate(VI) hydrate","","- C6 H4 K Mo N O9 -","- C6 H4 K Mo N O9 -","- C24 H16 K4 Mo4 N4 O36 -","4","1","","Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław","Synthesis, crystal structure and selected properties of two new peroxidomolybdates","Polyhedron","2020","183","","114530","","10.1016/j.poly.2020.114530","powder diffraction","x-ray","1.54187","CuKα","","0.0659","0.0644","","0.0784","0.0782","","","","3.59","","","","","","","has coordinates","272159","2022-01-20","12:56:30",""
"1566070","6.5619","0.0003","7.1063","0.0003","12.0469","0.0004","91.517","0.003","96.093","0.003","104.61","0.004","539.69","0.04","131","2","131","2","","","","","","","","5","P -1","-P 1","2","","Diammonium [tetrakis(η2-peroxido)dioxido-bis{μ-(1-oxo-κO-pyridine-4-carboxylate-κO)}dimolybdate(VI) dihydrate","","- C12 H20 Mo2 N4 O18 -","- C12 H20 Mo2 N4 O18 -","- C12 H20 Mo2 N4 O18 -","1","0.5","","Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław","Synthesis, crystal structure and selected properties of two new peroxidomolybdates","Polyhedron","2020","183","","114530","","10.1016/j.poly.2020.114530","","","1.54184","CuKα","","0.0361","0.0356","","","0.1045","0.1051","","","","","","1.097","","","","has coordinates","272159","2022-01-20","12:56:33",""
"1566110","8.9945","0.0004","9.6067","0.0003","15.7357","0.0008","90","","91.46","0.004","90","","1359.24","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 Cu F6 N5 Si -","- C6 H21 Cu F6 N5 Si -","- C24 H84 Cu4 F24 N20 Si4 -","4","1","","Lavrenyuk, Helen; Mykhalichko, Borys; Dziuk, Błażej; Olijnyk, Volodymyr; Mykhalichko, Oleg","A new copper(II) chelate complex with polyamines as fire retardant and epoxy hardener: Synthesis, crystal and electronic structure, and thermal behavior of (ethylenediamine-N,N′)-(diethylenetriamine-N,N′,N″)-copper(II) hexafluoridosilicate","Arabian Journal of Chemistry","2020","13","1","3060","3069","10.1016/j.arabjc.2018.08.014","","","0.71073","MoKα","","0.1651","0.0706","","","0.0744","0.0893","","","","","","0.949","","","","has coordinates","272211","2022-01-24","09:10:35",""
"1566133","11.34175","0.00018","8.21411","0.00013","12.44906","0.00019","90","","107.158","0.0016","90","","1108.17","0.03","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.0837","0.0857","","","","","","1.043","","","","has coordinates","272246","2022-01-26","12:29:17",""
"1566134","11.1281","0.0003","7.1835","0.0002","11.805","0.0003","90","","93.143","0.002","90","","942.26","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C44 H58 N2 O6 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0303","0.0287","","","0.0708","0.0719","","","","","","1.003","","","","has coordinates","272247","2022-01-26","12:30:19",""
"1566135","6.42575","0.00009","25.7445","0.0003","9.53536","0.00012","90","","105.067","0.0013","90","","1523.18","0.03","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H25 O4.5 -","- C16 H25 O4.5 -","- C64 H100 O18 -","4","2","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0283","0.0264","","","0.0622","0.0637","","","","","","1.031","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1566137","11.3635","0.0006","24.9442","0.0016","10.1321","0.0005","90","","101.394","0.005","90","","2815.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 O8 S2 -","- C26 H32 B2 O8 S2 -","- C104 H128 B8 O32 S8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","0.71073","MoKα","","0.0764","0.0579","","","0.1423","0.1554","","","","","","1.029","","","","has coordinates,has disorder","272250","2022-01-26","12:50:05",""
"1566138","36.788","0.003","9.326","0.001","17.102","0.001","90","","101.293","0.009","90","","5753.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H74 B4 O11 Si2 -","- C55 H74 B4 O11 Si2 -","- C220 H296 B16 O44 Si8 -","4","0.5","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","1.54184","CuKα","","0.0984","0.0805","","","0.2419","0.2665","","","","","","1.03","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566139","7.3773","0.0008","20.523","0.003","12.5623","0.0019","90","","102.694","0.014","90","","1855.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl2 O4 -","- C22 H16 Cl2 O4 -","- C88 H64 Cl8 O16 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","0.71073","MoKα","","0.1134","0.0597","","","0.0864","0.1023","","","","","","1.032","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566140","12.5963","0.0003","14.7352","0.0004","16.1555","0.0005","90","","90","","90","","2998.61","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H36 B2 O6 -","- C32 H36 B2 O6 -","- C128 H144 B8 O24 -","4","0.5","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","1.54184","CuKα","","0.1226","0.0941","","","0.2729","0.2939","","","","","","1.038","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566141","9.1909","0.0007","20.3736","0.0017","17.2816","0.0012","90","","102.298","0.007","90","","3161.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 Cl2 F3 O3 S -","- C15 H7 Cl2 F3 O3 S -","- C120 H56 Cl16 F24 O24 S8 -","8","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.1441","0.1193","","","0.3755","0.4091","","","","","","1.59","","","","has coordinates,has disorder","272250","2022-01-26","12:50:06",""
"1566142","7.4165","0.0006","10.6043","0.0007","14.6106","0.0008","90","","90.624","0.006","90","","1149.01","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 O -","- C14 H8 Cl2 O -","- C56 H32 Cl8 O4 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0539","0.0401","","","0.0886","0.0953","","","","","","1.069","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566143","7.7477","0.0002","7.7582","0.0002","20.4902","0.0005","90","","108.504","0.002","90","","1167.96","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 O2 -","- C14 H8 Cl2 O2 -","- C56 H32 Cl8 O8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","1.54184","CuKα","","0.0396","0.0357","","","0.1171","0.1237","","","","","","0.956","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566144","7.7651","0.0005","21.4851","0.0014","7.2877","0.0004","90","","94.017","0.006","90","","1212.85","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C56 H40 Cl8 O8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0683","0.0624","","","0.1528","0.157","","","","","","1.121","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566145","7.2545","0.0006","7.8698","0.0006","10.9539","0.001","93.774","0.007","103.555","0.008","92.372","0.007","605.59","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C28 H20 Cl4 O4 -","2","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0618","0.0511","","","0.1175","0.1239","","","","","","1.111","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566146","6.9873","0.0004","7.9428","0.0004","11.0964","0.0006","93.205","0.004","94.213","0.004","109.868","0.005","575.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 B O3 -","- C11 H15 B O3 -","- C22 H30 B2 O6 -","2","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0554","0.0498","","","0.1523","0.1586","","","","","","1.085","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566216","5.6406","0.0003","10.0492","0.0004","11.981","0.0008","88.638","0.004","79.578","0.005","89.763","0.004","667.73","0.06","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.043","0.0343","","","0.0752","0.0801","","","","","","1.007","","","","has coordinates","272369","2022-02-01","08:52:35",""
"1566217","5.632","0.0004","10.0417","0.0003","11.9844","0.0004","88.622","0.003","79.572","0.004","89.699","0.004","666.39","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.043","0.0337","","","0.0707","0.0755","","","","","","1.02","","","","has coordinates","272370","2022-02-01","08:52:44",""
"1566218","5.6594","0.0005","10.0663","0.0004","11.9792","0.0005","88.659","0.003","79.634","0.005","89.844","0.005","671.12","0.07","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0445","0.0348","","","0.0718","0.0772","","","","","","1.021","","","","has coordinates","272371","2022-02-01","08:52:51",""
"1566219","5.6548","0.0003","10.064","0.0005","11.9794","0.0007","88.649","0.004","79.611","0.005","89.824","0.004","670.38","0.06","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0423","0.0321","","","0.0609","0.0655","","","","","","1.017","","","","has coordinates","272372","2022-02-01","08:52:58",""
"1566220","5.6456","0.0003","10.0564","0.0004","11.9803","0.0006","88.654","0.004","79.604","0.004","89.804","0.004","668.82","0.06","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0424","0.0327","","","0.0653","0.0699","","","","","","1.006","","","","has coordinates","272373","2022-02-01","08:53:04",""
"1566221","5.6611","0.0004","10.0691","0.0003","11.9759","0.0004","88.658","0.003","79.631","0.004","89.878","0.004","671.32","0.06","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.045","0.0354","","","0.0726","0.0782","","","","","","1.019","","","","has coordinates","272374","2022-02-01","08:53:13",""
"1566222","5.6628","0.0003","10.0773","0.0004","11.9753","0.0006","88.67","0.004","79.684","0.004","89.912","0.004","672.15","0.06","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0454","0.0342","","","0.0657","0.0716","","","","","","1.02","","","","has coordinates","272375","2022-02-01","08:53:22",""
"1566223","5.666","0.0003","10.084","0.0004","11.9746","0.0005","88.671","0.003","79.718","0.004","89.932","0.003","673.01","0.05","333","2","333","3","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0456","0.0345","","","0.0645","0.0703","","","","","","1.038","","","","has coordinates","272376","2022-02-01","08:53:28",""
"1566224","5.6699","0.0005","10.0953","0.0004","11.9744","0.0007","88.674","0.004","79.773","0.006","89.94","0.005","674.33","0.08","360","2","360","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0485","0.0361","","","0.0674","0.0736","","","","","","1.002","","","","has coordinates","272377","2022-02-01","08:53:46",""
"1566225","5.9689","0.0003","5.5534","0.0004","19.0643","0.001","90","","90","","90","","631.94","0.06","153","2","153","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.037","0.0358","","","0.0829","0.0838","","","","","","1.051","","","","has coordinates","272378","2022-02-01","08:53:55",""
"1566226","5.9679","0.0003","5.5501","0.0003","19.0613","0.0009","90","","90","","90","","631.36","0.06","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0401","0.0391","","","0.0933","0.0941","","","","","","1.032","","","","has coordinates","272379","2022-02-01","08:54:15",""
"1566227","5.9702","0.0002","5.5629","0.0003","19.0733","0.0008","90","","90","","90","","633.46","0.05","233","2","233","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.038","0.0368","","","0.0902","0.0913","","","","","","1.043","","","","has coordinates","272380","2022-02-01","08:54:28",""
"1566228","5.9693","0.0002","5.5579","0.0003","19.0674","0.0007","90","","90","","90","","632.59","0.05","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0808","0.0826","","","","","","1.05","","","","has coordinates","272381","2022-02-01","08:54:37",""
"1566229","5.972","0.0003","5.5688","0.0004","19.084","0.0011","90","","90","","90","","634.67","0.07","273","2","273","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0389","0.0364","","","0.0862","0.0882","","","","","","1.045","","","","has coordinates","272382","2022-02-01","08:54:46",""
"1566230","5.9743","0.0004","5.5759","0.0004","19.0983","0.0011","90","","90","","90","","636.2","0.07","303","2","303","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0456","0.0433","","","0.1053","0.1076","","","","","","1.053","","","","has coordinates","272383","2022-02-01","08:54:56",""
"1566231","5.9784","0.0003","5.5874","0.0004","19.1254","0.0011","90","","90","","90","","638.86","0.07","333","2","333","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0475","0.0448","","","0.1086","0.1113","","","","","","1.049","","","","has coordinates","272384","2022-02-01","08:55:06",""
"1566232","5.9843","0.0003","5.5966","0.0004","19.1599","0.001","90","","90","","90","","641.7","0.07","360","2","360","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0497","0.0472","","","0.1148","0.117","","","","","","1.068","","","","has coordinates","272385","2022-02-01","08:55:15",""
"1566233","4.0237","0.0003","19.1136","0.0017","15.7813","0.0015","90","","91.799","0.007","90","","1213.1","0.18","298.1","0.2","298.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Bi0.52 Fe Pb4 S14 Sb5.48 -","- Bi0.52 Fe Pb4 S14 Sb5.48 -","- Bi1.04 Fe2 Pb8 S28 Sb10.96 -","2","0.5","","Richard Pazout","Distribution of Bi in the crystal structure of Bi-rich jamesonite, FePb4 (Sb5.48Bi0.52)S14","Journal of GeoSciences","2020","65","","261","265","10.3190/jgeosci.312","","x-ray","0.71073","MoKα","","0.1094","0.0636","","","0.0522","0.0566","","","","1.77","1.77","1.44","","","","has coordinates,has Fobs","272387","2022-02-01","09:01:54",""
"1566234","3.9375","","11.2613","","14.195","","84.4274","","112.499","","133.944","","405.053","","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- Ca0.458 Mo0.8 O8.315 U1.2 -","- Ca0.4 Mo0.8 O9.4 U1.2 -","- Ca0.8 Mo1.6 O18.8 U2.4 -","2","2","","Gwladys Steciuk; Radek Skoda; Jan Rohlicek; Jakub Plasil","Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)3(MoO4)2(OH)4](H2O)5 : insights from a precession electron-diffraction tomography study","Journal of GeoSciences","2020","65","","15","25","10.3190/jgeosci.297","","electron","0.0335","electron","","0.6806","0.3825","","","0.3834","0.3919","","","","12.59","12.59","6.15","","","","has coordinates","272388","2022-02-01","09:13:55",""
"1566235","20.344","0.0019","5.1507","0.0003","19.1361","0.0015","90","","93.568","0.008","90","","2001.3","0.3","297.4","0.2","297.4","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","zincoberaunite","","","- Al1.331 As0.175 Fe3.859 H17 Na0 O27 P3.825 Zn0.81 -","- Al1.332 As0.174 Fe3.858 H17 O27 P3.826 Zn0.81 -","- Al5.328 As0.696 Fe15.432 H68 O108 P15.304 Zn3.24 -","4","0.5","","Jaromir Tvrdy; Jakub Plasil; Radek Skoda","New crystal-chemical data on zincoberaunite from Krasno near Horni Slavkov (Czech Republic)","Journal of GeoSciences","2020","65","","45","57","10.3190/jgeosci.296","","x-ray","0.71073","MoKα","","0.0576","0.0356","","","0.0452","0.0491","","","","1.6","1.6","1.54","","","","has coordinates","272389","2022-02-01","09:26:35",""
"1566634","6.356","0.00021","6.356","","6.356","","90","","90","","90","","256.774","0.008","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","Komatsu, K.; Machida, S.; Noritake, F.; Hattori, T.; Sano-Furukawa, A.; Yamane, R.; Yamashita, K.; Kagi, H.","Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate","Nature Communications","2020","11","","464","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273828","2022-03-20","01:01:03",""
"1566635","6.37451","0.00009","6.37451","","6.37451","","90","","90","","90","","259.024","0.004","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","del Rosso, L.; Celli, M.; Grazzi, F.; Catti, M.; Hansen, T. C.; Fortes, A. D.; Ulivi, L.","Cubic ice Ic without stacking defects obtained from ice XVII","Nature Materials","2020","19","","663","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273829","2022-03-20","01:24:46",""
"1566662","4.39005","0.00018","4.39005","","6.303","0.0004","90","","90","","90","","121.475","0.009","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- D2 O -","- D2 O -","- D16 O8 -","8","0.25","","Komatsu, K.; Klotz, S.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Kagi, H.","Anomalous hydrogen dynamics of the ice VII-VIII transition revealed by high-pressure neutron diffraction","Proceedings of the National Academy of Sciences","2020","117","","6356","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","273858","2022-03-21","05:47:50",""
"1567248","7.908","0.007","7.441","0.008","9.88","0.009","90","","104.91","0.03","90","","561.8","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,7-Dihydro-5<i>H</i>-pyrrolo[1,2-<i>a</i>]imidazole","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","WM4129","Morales-Collazo, Oscar; Lynch, Vincent M.; Brennecke, Joan F.","6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole","IUCrData","2020","5","5","x200681","","10.1107/s2414314620006811","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1167","0.1231","","","","","","1.05","","","","has coordinates,has Fobs","276715","2022-07-06","23:15:17",""
"1568403","14.184","0.005","21.669","0.008","21.746","0.008","90","","90.63","0.02","90","","6683","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C176 H256 Cl32 N64 O32 Pd16 S32 -","8","2","","Javier Espino; Elena Fernández-Delgado; Samuel Estirado; Francisco Luna-Giles; Felipe de la Cruz-Martinez; Sergio Villa-Carballar; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Jos'e A. Pariente","Synthesis and structure of a new thiazoline-based palladium(II) complex that promotes cytotoxicity and apoptosis of human promyelocytic leukemia HL-60 cells","Scientific Reports","2020","10","","16745","","10.1038/s41598-020-73488-0","","","0.71073","MoKα","","0.0441","0.0333","","","0.0644","0.0677","","","","","","1.176","","","","has coordinates","280923","2023-02-15","12:18:39",""
"2021845","16.0576","0.0012","24.7423","0.0019","18.2142","0.0014","90","","105.443","0.001","90","","6975.3","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(μ-butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>:κ<i>O</i>')di-μ-hydroxido-bis[(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>)(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ<i>O</i>)chromium](<i>Cr</i>—<i>Cr</i>) heptane disolvate","","- C128 H228 Cr2 O26 P6 -","- C128 H228 Cr2 O26 P6 -","- C256 H456 Cr4 O52 P12 -","2","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0541","0.0427","","","0.1047","0.1118","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021846","15.4994","0.001","23.1995","0.0016","25.5787","0.0017","90","","90","","90","","9197.5","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[μ-Bis(2,6-diisopropylphenyl) phosphato-1κ<i>O</i>:2κ<i>O</i>']bis[bis(2,6-diisopropylphenyl) phosphato]-1κ<i>O</i>,2κ<i>O</i>-chlorido-2κ<i>Cl</i>-triethanol-1κ^2^<i>O</i>,2κ<i>O</i>-di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-dichromium(<i>Cr</i>—<i>Cr</i>) ethanol monosolvate","","- C84 H136 Cl Cr2 O18 P3 -","- C84 H136 Cl Cr2 O18 P3 -","- C336 H544 Cl4 Cr8 O72 P12 -","4","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0901","0.0497","","","0.0949","0.1076","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021847","12.8003","0.001","14.3922","0.0011","19.0048","0.0015","76.5044","0.0012","74.5363","0.0012","66.3984","0.0011","3060.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κ<i>O</i>][bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]chlorido(ethanol-κ<i>O</i>)chromium}(<i>Cr</i>—<i>Cr</i>) benzene disolvate","","- C116 H172 Cl2 Cr2 O20 P4 -","- C116 H172 Cl2 Cr2 O20 P4 -","- C116 H172 Cl2 Cr2 O20 P4 -","1","0.5","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.066","0.0492","","","0.1385","0.1493","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021848","10.6325","0.0002","14.7734","0.0002","21.7751","0.0004","90","","90","","90","","3420.39","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-Methoxyphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 O -","- C23 H18 O -","- C184 H144 O8 -","8","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.052","0.0433","","","0.1047","0.11","","","","","","1.041","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021849","9.6548","0.0005","22.2107","0.001","7.9248","0.0004","90","","105.749","0.001","90","","1635.6","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrophenyl)-1,1-diphenylbut-1-en-3-yne","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","0.71073","MoKα","","0.0672","0.0421","","","0.0898","0.0995","","","","","","1.037","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021850","14.3054","0.0003","5.8354","0.0001","19.0365","0.0004","90","","90.935","0.001","90","","1588.91","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","4-(2-Methylphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 -","- C23 H18 -","- C92 H72 -","4","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.0715","0.0497","","","0.1072","0.1163","","","","","","1.077","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021851","9.3538","0.0002","9.7899","0.0003","19.3432","0.0005","90","","90","","90","","1771.31","0.08","175","","175","","","","","","","","","5","P n a 21","P 2c -2n","33","","Diphenyl (cycloheptylamido)phosphate","","- C19 H24 N O3 P -","- C19 H24 N O3 P -","- C76 H96 N4 O12 P4 -","4","1","YO3071","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan","Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]","Acta Crystallographica Section C","2020","76","1","104","116","10.1107/S2053229619016619","","","0.71073","MoKα","","0.0607","0.0522","","0.1054","0.0964","0.1028","","","","","","0.9502","","","","has coordinates,has Fobs","247888","2020-10-21","18:00:00",""
"2021852","8.3404","0.0003","9.5349","0.0005","14.9677","0.0007","76.28","0.004","75.778","0.004","72.055","0.004","1080.73","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diphenyl (dibenzylamido)phosphate","","- C26 H24 N O3 P -","- C26 H24 N O3 P -","- C52 H48 N2 O6 P2 -","2","1","YO3071","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan","Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]","Acta Crystallographica Section C","2020","76","1","104","116","10.1107/S2053229619016619","","x-ray","0.71073","MoKα","","0.0361","0.033","","","0.0837","0.086","","","","","","1.049","","","","has coordinates,has Fobs","247888","2020-10-21","18:00:00",""
"2021925","13.023","0.004","7.34","0.002","27.762","0.009","90","","97.693","0.005","90","","2629.9","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydrazone-N,N'-bis(3-formylindole)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(1<i>H</i>-indol-3-yl)methylidene]hydrazinylidene}-1,2-diphenylethane","","- C32 H24 N6 -","- C32 H24 N6 -","- C128 H96 N24 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.1027","0.0493","","","0.0885","0.1027","","","","","","0.882","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021926","10.2585","0.0004","11.961","0.0005","12.8232","0.0006","64.941","0.004","79.573","0.003","76.829","0.004","1381.45","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Dihydrazone-N,N'-bis(3-acetylindole)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinylidene}-1,2-diphenylethane","","- C34 H28 N6 -","- C34 H28 N6 -","- C68 H56 N12 -","2","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0515","0.0444","","","0.122","0.1294","","","","","","1.045","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021927","11.271","0.0006","11.6944","0.0007","12.5164","0.0006","79.875","0.004","87.701","0.004","64.941","0.006","1470.1","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Benzil dihydrazone-N,N'-bis(1-methyl-3-formylindole) acetonitrile solvate","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(1-methyl-1<i>H</i>-indol-3-yl)\ methylidene]hydrazinylidene}-1,2-diphenylethane acetonitrile hemisolvate","","- C70 H59 N13 -","- C70 H59 N13 -","- C70 H59 N13 -","1","0.5","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.062","0.0494","","","0.1389","0.1514","","","","","","1.043","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021928","26.195","0.008","9.809","0.003","11.806","0.004","90","","115.23","0.005","90","","2744.1","1.5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Benzil dihydrazone-N,N'-bis(1-formylnaphthalene)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethane","","- C36 H26 N4 -","- C36 H26 N4 -","- C144 H104 N16 -","4","0.5","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.1419","0.0617","","","0.1093","0.1299","","","","","","0.954","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021929","6.8767","0.0001","8.3698","0.0002","32.6317","0.0006","90","","90","","90","","1878.17","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-{(<i>E</i>)-[(1<i>H</i>-Indol-3-yl)methylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0369","0.0348","","","0.0932","0.0957","","","","","","1.024","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021930","8.358","0.0001","8.358","0.0001","54.6705","0.0007","90","","90","","90","","3819.07","0.08","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(<i>Z</i>)-2-{(<i>E</i>)-[1-(1<i>H</i>-Indol-3-yl)ethylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0429","0.0407","","","0.1111","0.113","","","","","","1.055","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021931","18.6779","0.0006","8.6694","0.0003","12.7956","0.0004","90","","106.91","0.004","90","","1982.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-{(<i>E</i>)-[(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.059","0.0449","","","0.1268","0.1402","","","","","","1.029","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021932","17.2081","0.0013","9.4075","0.0008","11.9703","0.0009","90","","94.814","0.007","90","","1931","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-{(<i>E</i>)-[(Naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.158","0.052","","","0.0612","0.0828","","","","","","0.867","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021933","9.419","0.004","8.322","0.003","14.342","0.006","90","","93.612","0.006","90","","1122","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-Phenyl-3a,4,7,7a-tetrahydro-4,7-epoxy-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","0.71073","MoKα","","0.0843","0.052","","","0.1083","0.1186","","","","","","0.922","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021934","5.285","0.003","18.418","0.009","6.699","0.003","90","","100.105","0.007","90","","642","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxy-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","0.71073","MoKα","","0.0868","0.0666","","","0.1572","0.1682","","","","","","0.965","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021935","5.3661","0.0004","18.6171","0.0016","6.6116","0.0005","90","","98.918","0.007","90","","652.52","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","norcantharidine - 4-nitraaniline","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(4-nitrophenyl)-3a,4,5,6,7,7a-hexahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","1.54184","CuKα","","0.0447","0.0403","","","0.1022","0.1091","","","","","","1.059","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021936","10.035","0.0017","5.5937","0.0013","8.9634","0.0017","90","","90","","90","","503.14","0.17","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","norcantharidine - 2-aminoethanol","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(2-Hydroxyethyl)-3a,4,5,6,7,7a-hexahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","0.5","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","1.54184","CuKα","","0.0588","0.0448","","","0.0899","0.099","","","","","","1.067","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021937","16.908","0.0011","8.432","0.0006","34.872","0.003","90","","102.782","0.002","90","","4848.4","0.6","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Poly[[tris{μ-1,3-bis[(imidazol-1-yl)methyl]benzene}bis[μ~3~-4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoato]trizinc(II)] dimethylformamide disolvate trihydrate]","","- C96 H86 N20 O17 Zn3 -","- C96 H84 N20 O17 Zn3 -","- C192 H168 N40 O34 Zn6 -","2","1","QF3030","Wang, Saier; Bi, Rong; Liu, Jiadi; Shi, Ying; Wang, Kuaibing; Mao, Feifei; Wu, Hua","A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoic acid and 1,3-bis[(imidazol-1-yl)methyl]benzene ligands: synthesis, structure and properties","Acta Crystallographica Section C","2020","76","1","10","16","10.1107/S2053229619015547","","","0.71073","MoKα","","0.0635","0.058","","","0.1575","0.1616","","","","","","1.083","","","","has coordinates","246408","2020-10-21","18:00:00",""
"2021938","18.632","0.003","19.933","0.003","4.3095","0.0006","90","","90","","90","","1600.5","0.4","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(5-amino-1,2,4-triazol-3-yl)methane","","- C5 H8 N8 -","- C5 H8 N8 -","- C40 H64 N64 -","8","0.5","QS3089","Li, Hongya; Yan, Biao; Ma, Haixia; Sun, Zhiyong; Ma, Yajun; Zhang, Zhifang","Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane","Acta Crystallographica Section C","2020","76","1","64","68","10.1107/S2053229619016231","","","0.71073","MoKα","","0.0314","0.0284","","","0.0666","0.0681","","","","","","1.074","","","","has coordinates,has Fobs","246409","2020-10-21","18:00:00",""
"2021939","21.086","0.002","8.0671","0.0009","15.9578","0.0018","90","","103.623","0.002","90","","2638.1","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-4,4'-oxydibenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II)]","","- C28 H18 Cu N4 O5 S2 -","- C28 H18 Cu N4 O5 S2 -","- C112 H72 Cu4 N16 O20 S8 -","4","0.5","LF3106","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands","Acta Crystallographica Section C","2020","76","1","37","43","10.1107/S2053229619016024","","","0.71073","MoKα","","0.0341","0.0294","","","0.0923","0.0954","","","","","","1.038","","","","has coordinates,has Fobs","246410","2020-10-21","18:00:00",""
"2021940","11.14","0.003","12.522","0.004","14.911","0.005","74.487","0.005","87.709","0.005","79.511","0.006","1970.7","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[μ-aqua-bis[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(μ~3~-4,4'-oxydibenzoato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'';κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>'-dicopper(II)]","","- C42 H28 Cu2 N4 O11 S2 -","- C42 H28 Cu2 N4 O11 S2 -","- C84 H56 Cu4 N8 O22 S4 -","2","1","LF3106","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands","Acta Crystallographica Section C","2020","76","1","37","43","10.1107/S2053229619016024","","","0.71073","MoKα","","0.047","0.038","","","0.1215","0.1278","","","","","","1.042","","","","has coordinates,has Fobs","246410","2020-10-21","18:00:00",""
"2021941","7.4985","0.0005","11.3099","0.0007","14.7152","0.0007","101.142","0.005","95.336","0.005","99.286","0.006","1198.41","0.13","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua{μ~4~-1,1,2,2-tetrakis[4-(1<i>H</i>-1,2,4-triazol-1-yl)phenyl]ethylene-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}cobalt(II)] benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate]","","- C50 H38 Co N12 O10 -","- C50 H38 Co N12 O10 -","- C50 H38 Co N12 O10 -","1","0.5","OV3134","Wang, Zhi-Xiang; Tian, Hai-Xin; Ding, Jian-Gang; Li, Bao-Long; Wu, Bing","A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties","Acta Crystallographica Section C","2020","76","1","23","29","10.1107/S2053229619016097","","","0.71073","MoKα","","0.1072","0.0588","","","0.1124","0.1399","","","","","","1.042","","","","has coordinates,has Fobs","246411","2020-10-21","18:00:00",""
"2021942","8.3729","0.0002","8.3729","0.0002","20.0206","0.0006","90","","90","","120","","1215.51","0.05","293","2","293","2","","","","","","","","5","P 32","P 32","145","","<i>N</i>-(2,6-Dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-\ benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C51 H48 N6 O12 S3 -","3","1","KU3258","Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina","Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam","Acta Crystallographica Section C","2020","76","1","69","74","10.1107/S2053229619016450","","","0.71073","MoKα","","0.0473","0.0363","","","0.0867","0.0929","","","","","","1.041","","","","has coordinates,has Fobs","246412","2020-10-21","18:00:00",""
"2021943","8.3735","0.0003","8.3735","0.0003","20.0299","0.0008","90","","90","","120","","1216.25","0.08","293","2","293","2","","","","","","","","5","P 31","P 31","144","","<i>N</i>-(2,6-Dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-\ benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C51 H48 N6 O12 S3 -","3","1","KU3258","Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina","Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam","Acta Crystallographica Section C","2020","76","1","69","74","10.1107/S2053229619016450","","","0.71073","MoKα","","0.0599","0.0445","","","0.092","0.102","","","","","","1.001","","","","has coordinates,has Fobs","246412","2020-10-21","18:00:00",""
"2021948","15.3994","0.0002","11.5152","0.0001","7.8087","0.0001","90","","90","","90","","1384.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2,6-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","x-ray","0.71073","MoKα","","0.0403","0.0346","","","0.0908","0.097","","","","","","0.842","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021949","8.517","0.0002","10.019","0.0002","32.323","0.0007","90","","90","","90","","2758.18","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound X","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","","0.71073","MoKα","","0.0655","0.0434","","","0.0862","0.0953","","","","13.639","13.639","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021950","19.3892","0.0003","6.1746","0.0001","12.6588","0.0002","90","","100.87","0.001","90","","1488.33","0.04","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol <i>N</i>-oxide monohydrate","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C60 H100 N4 O16 -","4","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","x-ray","0.71073","MoKα","","0.05","0.0406","","","0.0977","0.1041","","","","","","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021951","8.2608","0.0008","14.0676","0.0013","11.5967","0.0011","90","","97.9839","0.0016","90","","1334.6","0.2","10","2","10","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0357","0.0338","","","0.0854","0.0869","","","","","","1.037","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021952","8.2788","0.0003","14.0816","0.0006","11.6343","0.0005","90","","98.0814","0.0007","90","","1342.84","0.09","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.027","0.0251","","","0.0593","0.0605","","","","","","1.029","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021953","8.3188","0.0004","14.1117","0.0006","11.6994","0.0005","90","","98.3222","0.0007","90","","1358.96","0.1","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0332","0.0296","","","0.0698","0.0717","","","","","","1.038","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021954","7.134","0.003","9.882","0.003","10.3","0.004","90","","100.484","0.004","90","","714","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato]cobalt(II)]","","- C12 H10 Co N6 O6 -","- C12 H10 Co N6 O6 -","- C24 H20 Co2 N12 O12 -","2","0.5","LF3111","Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia","Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid","Acta Crystallographica Section C Structural Chemistry","2020","76","2","","","10.1107/S2053229620000248","","","0.71073","MoKα","","0.0782","0.0484","","","0.1085","0.1222","","","","","","1.047","","","","has coordinates,has Fobs","246947","2020-10-21","18:00:00",""
"2021955","7.3533","0.0011","7.9541","0.0012","8.1396","0.0012","65.416","0.002","88.89","0.002","69.788","0.002","401.92","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato]nickel(II)] dihydrate]","","- C12 H14 N6 Ni O8 -","- C12 H14 N6 Ni O8 -","- C12 H14 N6 Ni O8 -","1","0.5","LF3111","Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia","Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid","Acta Crystallographica Section C Structural Chemistry","2020","76","2","","","10.1107/S2053229620000248","","","0.71073","MoKα","","0.0384","0.0325","","","0.0708","0.0735","","","","","","1.055","","","","has coordinates,has Fobs","246947","2020-10-21","18:00:00",""
"2021956","15.7712","0.001","13.0392","0.0008","13.0556","0.0008","90","","90","","90","","2684.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","6-Amino-7<i>H</i>-purine-1,9-diium tetrachloridogold(III) chloride monohydrate","","- C5 H9 Au Cl5 N5 O -","- C5 H9 Au Cl5 N5 O -","- C40 H72 Au8 Cl40 N40 O8 -","8","2","JX3049","Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny","Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619016656","","","0.71073","MoKα","","0.0217","0.0195","","","0.0377","0.0383","","","","","","1.054","","","","has coordinates,has Fobs","246948","2020-10-21","18:00:00",""
"2021957","8.1408","0.0002","11.9063","0.0004","12.4678","0.0004","84.918","0.002","84.475","0.002","85.649","0.001","1195.35","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-6-oxo-6,7-dihydro-1<i>H</i>-purin-9-ium tetrachloridogold(III) hemihydrate","","- C5 H7 Au Cl4 N5 O1.5 -","- C5 H7 Au Cl4 N5 O1.5 -","- C20 H28 Au4 Cl16 N20 O6 -","4","2","JX3049","Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny","Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619016656","","","0.71073","MoKα","","0.0326","0.0266","","","0.0637","0.0661","","","","","","1.035","","","","has coordinates,has Fobs","246948","2020-10-21","18:00:00",""
"2021958","8.288","0.0004","14.3767","0.0007","10.2288","0.0006","90","","104.514","0.005","90","","1179.91","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>S</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0343","0.0297","","","0.0735","0.0754","","","","","","1.001","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021959","8.2888","0.0005","14.3618","0.0007","10.2195","0.0007","90","","104.509","0.007","90","","1177.75","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>R</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0341","0.0299","","","0.0734","0.0752","","","","","","1.024","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021960","9.0631","0.0008","11.8412","0.0007","11.6382","0.001","90","","112.456","0.01","90","","1154.28","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>S</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0373","0.031","","","0.0729","0.0754","","","","","","0.974","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021961","9.0571","0.0006","11.8439","0.0006","11.6393","0.0007","90","","112.441","0.008","90","","1154.01","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>R</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.029","0.0265","","","0.0691","0.0703","","","","","","1.051","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021962","12.188","0.001","15.6516","0.001","22.7466","0.0019","90","","95.989","0.003","90","","4315.5","0.6","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}bis(μ~2~-glutarato)dinickel(II)] monohydrate]","","- C42 H54 N8 Ni2 O11 -","- C42 H54 N8 Ni2 O11 -","- C168 H216 N32 Ni8 O44 -","4","0.5","DG3002","Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao","Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000042","","","0.71073","MoKα","","0.0451","0.0366","","","0.0891","0.0945","","","","","","1.053","","","","has coordinates,has Fobs","246950","2020-10-21","18:00:00",""
"2021963","9.6488","0.0005","17.7245","0.0012","14.9109","0.001","90","","96.47","0.002","90","","2533.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}(μ~2~-glutarato)zinc(II)] tetrahydrate]","","- C21 H32 N4 O8 Zn -","- C21 H32 N4 O8 Zn -","- C84 H128 N16 O32 Zn4 -","4","1","DG3002","Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao","Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000042","","","0.71073","MoKα","","0.0484","0.0348","","","0.0783","0.0849","","","","","","1.047","","","","has coordinates,has Fobs","246950","2020-10-21","18:00:00",""
"2021964","14.8316","0.0002","15.2679","0.0001","23.237","0.0002","89.1396","0.0007","78.1097","0.0007","75.4959","0.0008","4981.24","0.09","95","0.6","95","","","","","","","","","6","P -1","-P 1","2","","Nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate","","- C59.5 H76.5 Mo10 N8.5 O60.029 P4 -","- C63 H90 Mo10 N9 O58 P4 -","- C126 H180 Mo20 N18 O116 P8 -","2","1","YD3001","Skorepova, Eliska; Harchani, Ali; Ftini, Mohamed Mongi; Dušek, Michal; Haddad, Amor","Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619015596","","x-ray","1.54184","CuKα","","0.0958","0.0828","","","0.2124","0.2187","","","","2.93","2.93","2.74","","","","has coordinates,has Fobs","246997","2020-10-21","18:00:00",""
"2021965","20.089","0.003","11.1502","0.0017","21.972","0.003","90","","97.945","0.005","90","","4874.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-(Acetonitrile-κ<i>N</i>)(3-aminopyridine-κ<i>N</i>)[2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I) hexafluoridophosphate dichloromethane monosolvate","","- C52 H43 Cl2 Cu F6 N3 P3 -","- C52 H43 Cl2 Cu F6 N3 P3 -","- C208 H172 Cl8 Cu4 F24 N12 P12 -","4","1","OV3136","Wang, Dan-Dan; Wang, Jian-Teng; Song, Li; Wang, You-Yu; Chai, Wen-Xiang","A new heteroleptic phosphorescent cuprous complex supported by a BINAP ligand: synthesis, structure, luminescence properties and theoretical analyses","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000601","","","0.71073","MoKα","","0.0714","0.0579","","","0.1697","0.1837","","","","","","1.033","","","","has coordinates,has Fobs","247405","2020-10-21","18:00:00",""
"2021966","7.49","0.0015","9.42","0.0019","9.6533","0.0019","117.97","0.03","93.19","0.03","99.12","0.03","587.3","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(III)] dihydrate]","","- C20 H16 Eu2 N4 O16 -","- C20 H16 Eu2 N4 O16 -","- C20 H16 Eu2 N4 O16 -","1","0.5","JX3052","Zheng, Wenxu; Wu, Kechen","Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000637","","","0.71073","MoKα","","0.0452","0.0387","","","0.0747","0.0795","","","","","","1.104","","","","has coordinates,has Fobs","247406","2020-10-21","18:00:00",""
"2021967","6.961","0.0007","7.9482","0.0009","10.9901","0.0013","101.579","0.004","106.761","0.004","95.588","0.004","562.51","0.11","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","Poly[(μ~3~-1<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-κ^5^<i>O</i>^5^:<i>O</i>^5'^,<i>O</i>^6^:<i>O</i>^6^,<i>O</i>^6'^)(μ~3~-sulfato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')europium(III)]","","- C9 H5 Eu N2 O8 S -","- C9 H5 Eu N2 O8 S -","- C18 H10 Eu2 N4 O16 S2 -","2","1","JX3052","Zheng, Wenxu; Wu, Kechen","Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000637","","","0.71073","MoKα","","0.0343","0.0278","","","0.0555","0.0583","","","","","","1.111","","","","has coordinates,has Fobs","247406","2020-10-21","18:00:00",""
"2021968","7.185","0.003","12.917","0.006","13.697","0.006","90","","90","","90","","1271.2","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0434","0.0416","","","0.1149","0.1165","","","","","","1.107","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2021969","6.4847","0.0001","13.6853","0.0003","7.1462","0.0001","90","","95.6583","0.0008","90","","631.1","0.019","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C28 H36 N4 O8 -","4","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0462","0.0389","","","0.1006","0.1046","","","","","","1.068","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2021970","19.4132","0.0008","13.7057","0.0007","7.1809","0.0007","90","","91.775","0.001","90","","1909.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C84 H108 N12 O24 -","12","3","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0647","0.0472","","","0.1167","0.1259","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","247437","2020-10-21","18:00:00",""
"2021971","6.1728","0.0003","12.3721","0.0006","13.6788","0.0007","84.302","0.002","80.846","0.002","80.909","0.002","1015.45","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","Sclareol methanol monosolvate","(3<i>S</i>)-4-[(<i>S</i>)-3-Hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyldecahydronaphthalen-3-ol methanol monosolvate","","- C21 H40 O3 -","- C21 H40 O3 -","- C42 H80 O6 -","2","2","HB7890","Bibi, Memoona; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid","Acta Crystallographica Section E Crystallographic Communications","2020","76","3","294","","10.1107/S2056989020001474","","","1.54178","CuKα","","0.0375","0.0373","","","0.11","0.1102","","","","","","1.014","","","","has coordinates,has Fobs","247943","2020-10-21","18:00:00",""
"2021972","8.15","0.002","8.15","0.003","13.092","0.003","90","","90","","120","","753.1","0.4","297","2","297","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8.0016 H20.004 N1.0002 Re S4 -","- C16.0032 H40.008 N2.0004 Re2 S8 -","2","0.166667","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0333","0.0208","","","0.0429","0.0475","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","247978","2020-10-21","18:00:00",""
"2021973","24.17","0.003","24.17","0.003","12.916","0.002","90","","90","","120","","6534.5","1.5","109.9","0.3","109.9","0.3","","","","","","","","5","P 63","P 6c","173","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C144 H360 N18 Re18 S72 -","18","3","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0354","0.0283","","","0.0452","0.0481","","","","","","1.048","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2021974","7.9","0.002","12.842","0.003","8.118","0.002","90","","119.04","0.02","90","","720","0.3","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C16 H40 N2 Re2 S8 -","2","1","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0525","0.0519","","","0.136","0.1378","","","","","","1.085","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2021975","14.7387","0.0004","16.6445","0.0003","17.897","0.0004","84.662","0.002","73.498","0.002","68.886","0.002","3926.8","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4,10-Dimethoxy-13-(pyridin-3-yl)-6<i>H</i>,12<i>H</i>-6,12-epiminodibenzo[<i>b</i>,<i>f</i>][1,5]dithiocine methanol 0.463-solvate","","- C21.46 H19.85 N2 O2.46 S2 -","- C21.4635 H19.854 N2 O2.4635 S2 -","- C171.708 H158.832 N16 O19.708 S16 -","8","4","EP3003","Mambourg, Kalina; Bodart, Laurie; Tumanov, Nikolay; Lanners, Steve; Wouters, Johan","Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin","Acta Crystallographica Section C Structural Chemistry","2020","76","3","","","10.1107/S2053229620000996","","","1.54184","CuKα","","0.0398","0.0357","","","0.0977","0.1021","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","247979","2020-10-21","18:00:00",""
"2021976","8.5168","0.0003","6.6031","0.0002","23.3468","0.0007","90","","90.737","0.003","90","","1312.85","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxy-2-phenyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0508","0.0483","","","0.1105","0.1122","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021977","12.7692","0.0002","8.5258","0.0001","23.182","0.0003","90","","90","","90","","2523.77","0.06","100","0.1","100","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-(4-Methoxyphenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.063","0.0559","","","0.1368","0.1436","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021978","16.7561","0.0003","8.0448","0.0001","21.3319","0.0004","90","","110.138","0.002","90","","2699.74","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Methoxyphenyl)-6-methyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0507","0.0435","","","0.1026","0.1075","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021979","6.476","0.0002","16.2902","0.0004","11.6755","0.0004","90","","97.953","0.003","90","","1219.86","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0285","0.0274","","","0.0722","0.0732","","","","","","1.058","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021980","15.2121","0.0007","8.7614","0.0002","20.726","0.0006","90","","92.458","0.003","90","","2759.81","0.16","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Bromo-6-methyl-2-phenyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C128 H104 Br8 O16 -","8","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0589","0.0427","","","0.0863","0.0951","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021981","25.297","0.002","4.0469","0.0002","12.639","0.0016","90","","90","","90","","1293.9","0.2","100","1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0287","0.0279","","","0.0769","0.0775","","","","","","1.05","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021982","3.9413","0.0002","17.3664","0.0008","17.236","0.0009","90","","94.504","0.005","90","","1176.1","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0341","0.0299","","","0.0706","0.0726","","","","","","1.043","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021983","9.7038","0.0003","10.5386","0.0001","15.3898","0.0004","90","","129.196","0.004","90","","1219.7","0.09","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Aminothiocytosine","4,6-Diamino-1,2-dihydropyrimidine-2-thione","","- C4 H6 N4 S -","- C4 H6 N4 S -","- C32 H48 N32 S8 -","8","2","SK3742","Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej","Solvent influence on the crystal packing of 6-aminothiocytosine","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001692","","","1.54184","CuKα","","0.0368","0.0357","","","0.1035","0.1044","","","","","","1.133","","","","has coordinates,has Fobs","248147","2020-10-21","18:00:00",""
"2021984","9.7682","0.0006","13.3671","0.0013","16.5201","0.0014","90","","99.03","0.007","90","","2130.3","0.3","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Aminothiocytosine dimethylformamide monosolvate","4,6-Diamino-1,2-dihydropyrimidine-2-thione dimethylformamide monosolvate","","- C7 H13 N5 O S -","- C7 H13 N5 O S -","- C56 H104 N40 O8 S8 -","8","2","SK3742","Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej","Solvent influence on the crystal packing of 6-aminothiocytosine","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001692","","x-ray","1.54184","CuKα","","0.1073","0.0869","","","0.2117","0.2243","","","","","","1.104","","","","has coordinates,has Fobs","248147","2020-10-21","18:00:00",""
"2021985","8.5495","0.0007","11.055","0.0007","12.5947","0.0007","76.143","0.005","73.11","0.006","81.533","0.006","1102.02","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Penta-μ-acetato-bis(μ~2~-2-{[2-(6-chloropyridin-2-yl)hydrazinylidene]\ methyl}-6-methoxyphenolato)-μ-formato-tetramanganese(II)","","- C37.17 H38.34 Cl2 Mn4 N6 O16 -","- C37.168 H38.336 Cl2 Mn4 N6 O16 -","- C37.168 H38.336 Cl2 Mn4 N6 O16 -","1","0.5","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.1016","0.0536","","","0.1078","0.1356","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","248148","2020-10-21","18:00:00",""
"2021986","14.6015","0.0004","19.1875","0.0007","8.2747","0.0003","90","","98.376","0.003","90","","2293.56","0.13","289","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexa-μ~2~-acetato-bis(μ~2~-2-{[2-(6-bromopyridin-2-yl)hydrazinylidene]\ methyl}-6-methoxyphenolato)tetramanganese(II)","","- C38 H40 Br2 Mn4 N6 O16 -","- C38 H40 Br2 Mn4 N6 O16 -","- C76 H80 Br4 Mn8 N12 O32 -","2","0.5","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.0575","0.0439","","","0.1119","0.1228","","","","","","1.009","","","","has coordinates","248148","2020-10-21","18:00:00",""
"2021987","8.5288","0.0014","31.321","0.003","9.2665","0.0013","90","","110.631","0.017","90","","2316.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[μ~2~-acetato-acetatoaqua(μ~2~-2-{[2-(6-chloropyridin-\ 2-yl)hydrazinylidene]methyl}-6-methoxyphenolato)dimanganese(II)]-μ~2~-acetato]","","- C19 H22 Cl Mn2 N3 O9 -","- C19 H22 Cl Mn2 N3 O9 -","- C76 H88 Cl4 Mn8 N12 O36 -","4","1","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.1731","0.0917","","","0.2128","0.2859","","","","","","1.016","","","","has coordinates","248148","2020-10-21","18:00:00",""
"2021988","12.3564","0.0018","6.5165","0.0007","9.9337","0.0011","90","","90","","90","","799.87","0.17","200","","200","","","","","","","","","4","P b a m","-P 2 2ab","55","","Magnesium carbonate hexahysrate","","- C2 H24 Mg2 O18 -","- C2 H24 Mg2 O18 -","- C4 H48 Mg4 O36 -","2","0.25","LG3251","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","A new hydrate of magnesium carbonate, MgCO~3~·6H~2~O","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001540","","","0.71073","MoKα","","0.0356","0.0287","","","0.0796","0.0854","","","","","","1.178","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2021989","11.417","0.0006","12.6782","0.0006","13.2102","0.0007","90","","90","","90","","1912.14","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O12 -","- C15 H29 N O12 -","- C60 H116 N4 O48 -","4","1","OP3003","Zhang, Wenhui; Meredith, Reagan J.; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","Glycosidic linkage, <i>N</i>-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-mannopyranoside monohydrate and related compounds","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001515","","","1.54178","CuKα","","0.0453","0.0436","","","0.1147","0.1174","","","","","","1.05","","","","has coordinates,has Fobs","248364","2020-10-21","18:00:00",""
"2021990","9.1944","0.0001","8.3134","0.0001","9.3798","0.0002","90","","98.924","0.001","90","","708.282","0.019","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Potassium manganese pyrophosphate hydrate","Dipotassium trimanganese dipyrophosphate dihydrate","","- H4 K2 Mn3 O16 P4 -","- H4 K2 Mn3 O16 P4 -","- H8 K4 Mn6 O32 P8 -","2","0.5","FN3331","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V.","Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002466","","","0.71073","MoKα","","0.0271","0.0233","","","0.0497","0.0511","","","","","","1.075","","","","has coordinates,has Fobs","248485","2020-10-21","18:00:00",""
"2021991","13.3117","0.0003","10.0949","0.0002","8.7261","0.0002","90","","108.057","0.002","90","","1114.86","0.04","152","5","152","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Potassium manganese aluminium phosphate hydrate","Potassium manganese dialuminium triphosphate dihydrate","","- Al2 H4 K Mn O14 P3 -","- Al2 H4 K Mn O14 P3 -","- Al8 H16 K4 Mn4 O56 P12 -","4","0.5","FN3331","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V.","Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002466","","","0.71073","MoKα","","0.0161","0.0156","","","0.047","0.0472","","","","","","1.137","","","","has coordinates,has Fobs","248485","2020-10-21","18:00:00",""
"2021992","8.7163","0.0003","11.1146","0.0004","14.0703","0.0005","105.54","0.002","94.63","0.002","108.581","0.002","1224.06","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H19 Cl3 Co N4 O1.5 -","- C4 H19 Cl3 Co N4 O1.5 -","- C16 H76 Cl12 Co4 N16 O6 -","4","2","DG3005","Bernal, Ivan; Lalancette, Roger A.","Serendipity: Werner's argument that the `two-only forms' (green and violet) of [CoCl~2~(en)~2~]^+^ salts demanded his octahedral model was correct. True?","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002272","","","1.54178","CuKα","","0.0432","0.0381","","","0.0934","0.0972","","","","","","1.047","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:40",""
"2021993","8.4959","0.0002","9.6479","0.0002","8.7619","0.0002","90","","116.921","0.001","90","","640.36","0.03","299.16","","299.16","","","","","","","","","4","P 1 21 1","P 2yb","4","NA8","(<i>S</i>)-10-(Prop-2-yn-1-yl)pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","LH5947","Jeroundi, Dounia; Mazzah, Ahmed; Hökelek, Tuncer; El Hadrami, El Mestafa; Renard, Catherine; Haoudi, Amal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E Crystallographic Communications","2020","76","4","467","","10.1107/S2056989020002698","","","0.71073","MoKα","","0.0463","0.0389","","","0.0983","0.1032","","","","","","1.061","","","","has coordinates,has Fobs","248727","2020-10-21","18:00:00",""
"2021994","8.1958","0.0005","8.4184","0.0005","10.5965","0.0006","97.006","0.005","104.543","0.005","91.138","0.005","701.43","0.07","293","2","293","","","","","","","","","4","P -1","-P 1","2","","2-{[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]methyl}-1<i>H</i>-benzimidazol-3-ium chloride","","- C11 H9 Cl3 N6 -","- C11 H9 Cl3 N6 -","- C22 H18 Cl6 N12 -","2","1","SK3746","Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael","Synthesis and crystallographic studies of two new 1,3,5-triazines","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620002508","","","0.71073","MoKα","","0.0504","0.0346","","","0.0769","0.0872","","","","","","1.06","","","","has coordinates,has Fobs","249179","2020-10-21","18:00:00",""
"2021995","12.8675","0.0004","14.1487","0.0005","16.5184","0.0006","75.57","0.003","78.737","0.003","64.33","0.003","2611.81","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-{[(6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]bis(methylene)}bis(1<i>H</i>-benzimidazol-3-ium)) tetrachloride heptahydrate","","- C38 H45.75 Cl6.04 N18 O7.93 -","- C38 H45.752 Cl6.038 N18 O7.938 -","- C76 H91.504 Cl12.076 N36 O15.876 -","2","1","SK3746","Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael","Synthesis and crystallographic studies of two new 1,3,5-triazines","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620002508","","","0.71073","MoKα","","0.0888","0.0574","","","0.1506","0.1787","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","249179","2020-10-21","18:00:00",""
"2021996","6.4917","0.0003","17.5357","0.0007","22.2418","0.0008","90","","90","","90","","2531.93","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-fluorenyl-methylen-xycarbonyl-O-tert-butyl-N-methyl-tyrosine; Fmoc-N-Me-Tyr(t-Bu)-OH","2-{[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-{4-[(2-hydroxypropan-2-yl)oxy]phenyl}propanoic acid","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C116 H124 N4 O20 -","4","1","QP3039","Bojarska, Joanna; Remko, Milan; Madura, Izabela D.; Kaczmarek, Krzysztof; Zabrocki, Janusz; Wolf, Wojciech M.","Synthesis, experimental and <i>in silico</i> studies of <i>N</i>-fluorenylmethoxycarbonyl-<i>O</i>-<i>tert</i>-butyl-<i>N</i>-methyltyrosine, coupled with CSD data: a survey of interactions in the crystal structures of Fmoc‒amino acids","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003009","","","0.71073","MoKα","","0.0338","0.0318","","","0.0886","0.0912","","","","","","0.985","","","","has coordinates,has Fobs","249270","2020-10-21","18:00:00",""
"2021997","7.0301","0.0003","17.1705","0.0008","18.8369","0.0009","90","","90","","90","","2273.81","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3'-Fluoro-3'-deoxy-5-methyluridine","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","2","WP3002","Aher, Manisha N.; Erande, Namrata D.; Kumar, Vaijayanti A.; Fernandes, Moneesha; Gonnade, Rajesh G.","Influence of fluorine substitution on the molecular conformation of 3'-deoxy-3'-fluoro-5-methyluridine","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003083","","","0.71073","MoKα","","0.0306","0.0287","","","0.0661","0.0672","","","","","","1.102","","","","has coordinates","249351","2020-10-21","18:00:00",""
"2021998","14.808","0.0002","15.697","0.0002","14.977","0.0002","90","","114.482","0.001","90","","3168.28","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(2-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C144 H128 N16 O8 Se8 -","8","2","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0346","0.0255","","","0.0599","0.064","","","","","","1.022","","","","has coordinates,has Fobs","249908","2020-10-21","18:00:00",""
"2021999","9.467","0.0006","10.307","0.0007","16.615","0.0009","90","","106.887","0.004","90","","1551.32","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(3-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C72 H64 N8 O4 Se4 -","4","1","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0738","0.0498","","","0.0927","0.0998","","","","15.23","15.23","1.105","","","","has coordinates,has Fobs","249908","2020-10-21","18:00:00",""
"2022000","12.733","0.0003","8.95","0.0002","14.1399","0.0005","90","","101.862","0.002","90","","1576.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(4-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C72 H64 N8 O4 Se4 -","4","1","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0445","0.0392","","","0.1016","0.1065","","","","12.971","12.971","1.033","","","","has coordinates","249908","2020-10-21","18:00:00",""
"2022001","17.4164","0.001","26.2567","0.0015","20.0775","0.0012","90","","114.401","0.001","90","","8361.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[[1,4-bis(pyridin-4-yl)benzene](μ~3~-3,3'-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoato)zinc(II)] 1,4-bis(pyridin-4-yl)benzene]","","- C54 H40 N4 O6 Zn -","- C54 H40 N4 O6 Zn -","- C432 H320 N32 O48 Zn8 -","8","1","QS3090","Xue, Yun-Shan; Cheng, Wei-Wei; Chen, Zhuo-Lin; Kong, Weili; Zhang, Jun","A novel three-dimensional zinc(II) coordination polymer based on 3,3'-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoic acid and 1,4-bis(pyridin-4-yl)benzene: synthesis, crystal structure and photocatalytic properties","Acta Crystallographica Section C","2020","76","4","353","358","10.1107/S2053229620004052","","x-ray","0.71073","MoKα","","0.032","0.0284","","","0.0723","0.0743","","","","","","1.033","","","","has coordinates,has Fobs","249909","2020-10-21","18:00:00",""
"2022002","10.7997","0.0003","11.2319","0.0002","12.0225","0.0003","90","","95.184","0.002","90","","1452.38","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] bis(6-chloronicotinate) tetrahydrate]","","- C22 H30 Cl2 N4 Ni O12 -","- C22 H30 Cl2 N4 Ni O12 -","- C44 H60 Cl4 N8 Ni2 O24 -","2","0.5","HB7900","Politeo, Nives; Pisačić, Mateja; Đaković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","Synthesis and crystal structure of a 6-chloronicotinate salt of a one-dimensional cationic nickel(II) coordination polymer with 4,4′-bipyridine","Acta Crystallographica Section E Crystallographic Communications","2020","76","5","599","","10.1107/S2056989020004193","","","0.71073","MoKα","","0.0376","0.0285","","","0.0695","0.0738","","","","","","1.069","","","","has coordinates,has Fobs","250124","2020-10-21","18:00:00",""
"2022003","11.8658","0.0007","5.4786","0.0003","16.7291","0.0009","90","","97.296","0.002","90","","1078.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tinidazole","1-(2-Ethylsulfonylethyl)-2-methyl-5-nitroimidazole","","- C8 H13 N3 O4 S -","- C8 H13 N3 O4 S -","- C32 H52 N12 O16 S4 -","4","1","DG3004","Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang","Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004180","","","0.71073","MoKα","","0.0371","0.0318","","","0.0787","0.0816","","","","","","1.045","","","","has coordinates,has Fobs","250534","2020-10-21","18:00:00",""
"2022004","11.1206","0.0005","12.6519","0.0006","13.6042","0.0006","98.078","0.001","97.793","0.001","99.78","0.001","1842.42","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Tinidazole‒vanillic acid (1/1)","1-(2-Ethylsulfonylethyl)-2-methyl-5-nitroimidazole; 4-hydroxy-3-methoxybenzoic acid","","- C16 H21 N3 O8 S -","- C16 H21 N3 O8 S -","- C64 H84 N12 O32 S4 -","4","2","DG3004","Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang","Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004180","","","0.71073","MoKα","","0.0495","0.039","","","0.0993","0.1055","","","","","","1.031","","","","has coordinates,has Fobs","250534","2020-10-21","18:00:00",""
"2022005","11.8772","0.0003","17.2089","0.0004","8.4838","0.0002","90","","109.022","0.0006","90","","1639.35","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2',6'-Difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","","- C21 H13 F2 N3 O -","- C21 H13 F2 N3 O -","- C84 H52 F8 N12 O4 -","4","1","LF3112","Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin","Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004301","","","0.71073","MoKα","","0.0507","0.0417","","","0.1052","0.1125","","","","","","1.027","","","","has coordinates,has Fobs","250535","2020-10-21","18:00:00",""
"2022006","21.0396","0.0003","7.941","0.0001","22.5109","0.0003","90","","100.899","0.0007","90","","3693.18","0.09","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2',6'-Dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C184 H152 N24 O24 -","8","1","LF3112","Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin","Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004301","","","0.71073","MoKα","","0.0535","0.0431","","","0.1068","0.1143","","","","","","1.034","","","","has coordinates,has Fobs","250535","2020-10-21","18:00:00",""
"2022007","6.092","0.0003","3.4919","0.0002","11.8481","0.0005","90","","103.898","0.002","90","","244.66","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0132","0.0132","","","0.039","0.039","","","","","","1.1687","","","","has coordinates","250586","2020-10-21","18:00:00",""
"2022008","9.3255","0.001","5.4503","0.001","9.04","0.001","90","","101.474","0.001","90","","450.29","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 N4 O3 -","- C2 H2 N4 O3 -","- C8 H8 N16 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56085","AgKα","","0.0151","0.0147","","","0.0395","0.0397","","","","","","1.0597","","","","has coordinates","250587","2020-10-21","18:00:00",""
"2022009","11.1055","0.0001","11.6712","0.0001","18.0627","0.0001","90","","102.675","0.0003","90","","2284.13","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N O -","- C33 H23 N O -","- C132 H92 N4 O4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0121","0.0115","","","0.0286","0.0288","","","","","","1.1353","","","","has coordinates","250588","2020-10-21","18:00:00",""
"2022010","9.659","0.001","9.672","0.001","10.739","0.001","90","","90","","90","","1003.26","0.17","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N2 O7 -","- C6 H14 N2 O7 -","- C24 H56 N8 O28 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0133","0.0133","","","0.0331","0.0331","","","","","","1.0274","","","","has coordinates","250589","2020-10-21","18:00:00",""
"2022011","9.902","0.003","9.248","0.003","10.166","0.002","90","","90","","90","","930.9","0.5","9","2","9","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0558","0.03","","","0.0449","0.0613","","","","","","0.9388","","","","has coordinates","250590","2020-10-21","18:00:00",""
"2022012","11.624","0.002","16.748","0.003","24.018","0.005","90","","90","","90","","4675.8","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H77.768 N2 O15.884 -","- C41 H77.768 N2 O15.884 -","- C164 H311.072 N8 O63.536 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","synchrotron","","0.023","0.023","","","0.0592","0.0592","","","","","","1.0854","","","","has coordinates","250591","2020-10-21","18:00:00",""
"2022013","5.2951","0.0003","8.1213","0.0004","27.256","0.002","90","","90","","90","","1172.09","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.54","Synchrotron","","0.0204","0.0201","","","0.0484","0.0485","","","","","","1.0996","","","","has coordinates","250592","2020-10-21","18:00:00",""
"2022014","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0219","0.0219","","","0.0552","0.0552","","","","","","1.038","","","","has coordinates","250593","2020-10-21","18:00:00",""
"2022015","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0159","0.0148","","","0.0359","0.0362","","","","","","0.9499","","","","has coordinates","250594","2020-10-21","18:00:00",""
"2022016","7.2934","0.0002","7.8145","0.0002","10.2181","0.0003","87.055","0.001","70.569","0.001","72.898","0.001","524.22","0.03","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N2 O2 S -","- C9 H14 N2 O2 S -","- C18 H28 N4 O4 S2 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0256","0.0256","","","0.019","0.019","","","","","","1.0767","","","","has coordinates","250595","2020-10-21","18:00:00",""
"2022017","11.827","0.002","7.875","0.002","23.504","0.005","90","","90","","90","","2189.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0322","0.0269","","","0.0652","0.0674","","","","","","1.108","","","","has coordinates","250596","2020-10-21","18:00:00",""
"2022018","5.789","0.0008","5.9387","0.0007","12.2516","0.0014","90","","90","","90","","421.2","0.09","23","1","23","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0102","0.0101","","","0.0238","0.0239","","","","","","1.2342","","","","has coordinates","250597","2020-10-21","18:00:00",""
"2022019","6.0954","0.0002","3.4948","0.0001","11.8499","0.0003","90","","103.939","0.0009","90","","244.996","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0176","0.0176","","","0.0467","0.0467","","","","","","1.2389","","","","has coordinates","250598","2020-10-21","18:00:00",""
"2022020","13.089","0.002","5.329","0.001","15.921","0.006","90","","108.57","0.02","90","","1052.7","0.5","100","5","100","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N2 O3 S -","- C8 H16 N2 O3 S -","- C32 H64 N8 O12 S4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0374","0.0259","","","0.0451","0.0507","","","","","","1.0578","","","","has coordinates","250599","2020-10-21","18:00:00",""
"2022021","9.866","0.007","9.25","0.007","10.149","0.006","90","","90","","90","","926.2","1.1","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0273","0.0247","","","0.051","0.0516","","","","","","1.0882","","","","has coordinates","250600","2020-10-21","18:00:00",""
"2022022","6.095","0.0005","3.4881","0.0003","11.8462","0.0009","90","","103.842","0.003","90","","244.54","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0179","0.0179","","","0.0542","0.0542","","","","","","1.5736","","","","has coordinates","250601","2020-10-21","18:00:00",""
"2022023","7.984","0.002","9.535","0.003","18.352","0.005","90","","90","","90","","1397.1","0.7","23","2","23","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0356","0.0356","","","0.0425","0.0425","","","","","","0.9844","","","","has coordinates","250602","2020-10-21","18:00:00",""
"2022024","12.925","0.003","8.273","0.002","23.954","0.005","90","","90","","90","","2561.4","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C128 H88 N8 O24 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0369","0.031","","","0.082","0.0856","","","","","","1.0595","","","","has coordinates","250603","2020-10-21","18:00:00",""
"2022025","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5996","synchrotron","","0.0276","0.0171","","","0.0445","0.0446","","","","","","0.6809","","","","has coordinates","250604","2020-10-21","18:00:00",""
"2022026","7.2359","0.0005","7.3713","0.0005","9.4768","0.0007","90","","98.403","0.01","90","","500.05","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 N3 O S -","- C2 H5 N3 O S -","- C8 H20 N12 O4 S4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0215","0.0186","","","0.0467","0.0477","","","","","","1.0492","","","","has coordinates","250605","2020-10-21","18:00:00",""
"2022027","5.4491","0.0003","7.3962","0.0004","8.1337","0.0004","79.382","0.004","73.191","0.005","69.544","0.005","292.75","0.03","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","1","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0175","0.0172","","","0.0407","0.0408","","","","","","1.0353","","","","has coordinates","250606","2020-10-21","18:00:00",""
"2022028","9.853","0.004","9.251","0.005","10.145","0.002","90","","90","","90","","924.7","0.7","30","2","30","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.03","0.0263","","","0.0546","0.0555","","","","","","1.0868","","","","has coordinates","250607","2020-10-21","18:00:00",""
"2022029","9.884","0.006","9.253","0.006","10.155","0.003","90","","90","","90","","928.7","0.9","75","2","75","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0307","0.0267","","","0.0679","0.0691","","","","","","1.0666","","","","has coordinates","250608","2020-10-21","18:00:00",""
"2022030","7.4541","0.0015","9.4918","0.0019","9.7287","0.0019","90","","90","","90","","688.3","0.2","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0137","0.0132","","","0.0321","0.0322","","","","","","1.0669","","","","has coordinates","250609","2020-10-21","18:00:00",""
"2022031","7.431","0.006","13.769","0.009","14.944","0.013","90","","90","","90","","1529","2","25","","25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKa","","0.0178","0.0147","","","0.0318","0.0324","","","","","","0.7185","","","","has coordinates","250610","2020-10-21","18:00:00",""
"2022032","6.0988","0.0002","3.4954","0.0001","11.8455","0.0004","90","","103.927","0.002","90","","245.096","0.014","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0203","0.0203","","","0.0523","0.0523","","","","","","1.2128","","","","has coordinates","250611","2020-10-21","18:00:00",""
"2022033","6.0939","0.0003","3.4965","0.0002","11.8441","0.0005","90","","103.951","0.002","90","","244.92","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0172","0.0172","","","0.0446","0.0446","","","","","","1.1938","","","","has coordinates","250612","2020-10-21","18:00:00",""
"2022034","6.6558","0.0001","7.8903","0.0001","8.6069","0.0001","90","","90","","90","","452.002","0.01","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKa","","0.0234","0.0177","","","0.0404","0.0482","","","","","","1.0182","","","","has coordinates","250613","2020-10-21","18:00:00",""
"2022035","7.7161","0.0008","9.8337","0.001","7.5131","0.0008","90","","100.523","0.005","90","","560.49","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N3 O2 -","- C4 H7 N3 O2 -","- C16 H28 N12 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKa","","0.0284","0.0227","","","0.0553","0.0591","","","","","","1.209","","","","has coordinates","250614","2020-10-21","18:00:00",""
"2022036","10.128","0.001","12.486","0.001","19.507","0.001","90","","90","","90","","2466.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N6 O7 -","- C22 H36 N6 O7 -","- C88 H144 N24 O28 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5583","Synchrotron","","0.0173","0.0172","","","0.0392","0.0393","","","","","","1.1634","","","","has coordinates","250615","2020-10-21","18:00:00",""
"2022037","7.4587","0.0007","9.4928","0.0009","9.725","0.0009","90","","90","","90","","688.57","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0154","0.0152","","","0.0345","0.0346","","","","","","1.1898","","","","has coordinates","250616","2020-10-21","18:00:00",""
"2022038","8.5755","0.0003","10.1627","0.0003","14.2676","0.0002","90","","95.249","0.002","90","","1238.21","0.06","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0394","0.023","","","0.0432","0.0577","","","","","","1.0322","","","","has coordinates","250617","2020-10-21","18:00:00",""
"2022039","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0275","0.0275","","","0.0677","0.0677","","","","","","1.0758","","","","has coordinates","250618","2020-10-21","18:00:00",""
"2022040","6.825","0.0014","9.042","0.0018","21.728","0.004","90","","90","","90","","1340.9","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N3 O5 -","- C11 H21 N3 O5 -","- C44 H84 N12 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0333","0.0261","","","0.0451","0.0462","","","","","","1.2975","","","","has coordinates","250619","2020-10-21","18:00:00",""
"2022041","6.0937","0.0004","3.4929","0.0002","11.8533","0.0007","90","","103.948","0.002","90","","244.85","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0143","0.0143","","","0.0406","0.0406","","","","","","1.241","","","","has coordinates","250620","2020-10-21","18:00:00",""
"2022042","9.1735","0.0001","11.4736","0.0002","5.4171","0.0001","90","","90","","90","","570.166","0.016","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0156","0.0152","","","0.0356","0.0359","","","","","","1.1821","","","","has coordinates","250621","2020-10-21","18:00:00",""
"2022043","9.854","0.0002","9.249","0.0002","10.144","0.0002","90","","90","","90","","924.52","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0271","0.0246","","","0.0489","0.0495","","","","","","1.0988","","","","has coordinates","250622","2020-10-21","18:00:00",""
"2022044","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0101","0.01","","","0.0247","0.0247","","","","","","1.0759","","","","has coordinates","250623","2020-10-21","18:00:00",""
"2022045","7.235","0.002","13.056","0.004","14.415","0.004","90","","90","","90","","1361.6","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.028","0.0272","","","0.0416","0.042","","","","","","0.6573","","","","has coordinates","250624","2020-10-21","18:00:00",""
"2022046","9.598","0.002","8.939","0.001","12.17","0.001","90","","108.75","0.01","90","","988.7","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N4 O5 -","- C18 H28 N4 O5 -","- C36 H56 N8 O10 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0115","0.0114","","","0.0303","0.0303","","","","","","1.234","","","","has coordinates","250625","2020-10-21","18:00:00",""
"2022047","8.3222","0.0002","9.5441","0.0002","27.0123","0.0006","90","","90","","90","","2145.53","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0149","0.0149","","","0.0367","0.0367","","","","","","1.0616","","","","has coordinates","250626","2020-10-21","18:00:00",""
"2022048","11.0104","0.0003","10.0398","0.0002","18.604","0.0004","90","","97.32","0.002","90","","2039.77","0.08","10","","10","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0336","0.0335","","","0.0657","0.0658","","","","","","1.04","","","","has coordinates","279947","2022-12-20","10:58:43",""
"2022049","6.0889","0.0002","3.487","0.0001","11.8299","0.0003","90","","103.93","0.001","90","","243.786","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0116","0.0116","","","0.0368","0.0368","","","","","","1.3975","","","","has coordinates","250628","2020-10-21","18:00:00",""
"2022050","5.7913","0.0003","8.2458","0.0006","8.9223","0.001","116.823","0.008","104.589","0.009","91.602","0.005","362.99","0.06","90","0.1","90","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0287","0.0249","","","0.0569","0.0579","","","","","","1.3413","","","","has coordinates","250629","2020-10-21","18:00:00",""
"2022051","7.4871","0.0016","9.4966","0.0019","9.7078","0.0019","90","","90","","90","","690.2","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0138","0.0135","","","0.0299","0.03","","","","","","1.1373","","","","has coordinates","250630","2020-10-21","18:00:00",""
"2022052","8.789","0.001","12.474","0.001","13.279","0.001","90","","106.578","0.001","90","","1395.3","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.503","synchrotron","","0.0206","0.0203","","","0.0506","0.0509","","","","","","1.0718","","","","has coordinates","250631","2020-10-21","18:00:00",""
"2022053","12.402","0.003","6.47","0.002","6.321","0.002","90","","93.69","0.02","90","","506.2","0.3","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C6 H8 O2 -","- C6 H8 O2 -","- C24 H32 O8 -","4","0.5","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.21784","synchrotron","","0.025","0.025","","","0.0649","0.0649","","","","","","1.2633","","","","has coordinates","250632","2020-10-21","18:00:00",""
"2022054","6.0931","0.0004","3.4921","0.0002","11.8409","0.0007","90","","103.842","0.002","90","","244.63","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0179","0.0179","","","0.0553","0.0553","","","","","","1.5601","","","","has coordinates","250633","2020-10-21","18:00:00",""
"2022055","6.0903","0.0002","3.4959","0.0001","11.8348","0.0003","90","","103.917","0.001","90","","244.579","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0205","0.0205","","","0.0515","0.0515","","","","","","1.1995","","","","has coordinates","250634","2020-10-21","18:00:00",""
"2022056","7.875","0.002","9.892","0.002","18.843","0.004","90","","90","","90","","1467.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0156","0.0155","","","0.0385","0.0385","","","","","","1.1819","","","","has coordinates","250635","2020-10-21","18:00:00",""
"2022057","8.977","0.007","9.186","0.007","10.003","0.007","90","","90","","90","","824.9","1.1","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 N O3 P -","- C H6 N O3 P -","- C8 H48 N8 O24 P8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0283","0.0192","","","0.0435","0.0465","","","","","","1.1385","","","","has coordinates","250636","2020-10-21","18:00:00",""
"2022058","5.8389","0.0002","19.3579","0.0005","8.0338","0.0003","90","","97.203","0.002","90","","900.88","0.05","105","0.1","105","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N4 O4 P -","- C5 H11 N4 O4 P -","- C20 H44 N16 O16 P4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0759","0.0353","","","0.0608","0.0728","","","","","","0.9736","","","","has coordinates","250637","2020-10-21","18:00:00",""
"2022059","7.4583","0.0016","9.4892","0.0019","9.7301","0.0019","90","","90","","90","","688.6","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0129","0.0129","","","0.0277","0.0277","","","","","","1.1768","","","","has coordinates","250638","2020-10-21","18:00:00",""
"2022060","6.0988","0.0001","3.497","0.0002","11.8494","0.0002","90","","103.922","0.002","90","","245.294","0.015","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0139","0.0139","","","0.037","0.037","","","","","","1.1503","","","","has coordinates","250639","2020-10-21","18:00:00",""
"2022061","4.0515","0.0002","10.1749","0.0007","17.6519","0.0009","90","","90","","90","","727.67","0.07","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0283","0.0265","","","0.0636","0.0642","","","","","","0.9945","","","","has coordinates","250640","2020-10-21","18:00:00",""
"2022062","8.121","0.004","9.299","0.006","12.532","0.005","90","","91.21","0.02","90","","946.2","0.9","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.269 N3 O7.634 -","- C15 H26.2688 N3 O7.63441 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5","synchrotron","","0.0106","0.0106","","","0.0241","0.0241","","","","","","1.2979","","","","has coordinates","250641","2020-10-21","18:00:00",""
"2022063","9.507","0.0001","9.9649","0.0001","11.0233","0.0001","94.182","0.001","100.118","0.001","91.432","0.001","1024.57","0.018","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 F N3 O9 -","- C17 H30 F N3 O9 -","- C34 H60 F2 N6 O18 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0293","0.0216","","","0.0595","0.0628","","","","","","1.5195","","","","has coordinates","250642","2020-10-21","18:00:00",""
"2022064","8.741","0.002","9.42","0.002","11.989","0.002","90","","95.49","0.03","90","","982.6","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H29 N5 O6 -","- C15 H29 N5 O6 -","- C30 H58 N10 O12 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0106","0.0106","","","0.0274","0.0274","","","","","","1.2508","","","","has coordinates","250643","2020-10-21","18:00:00",""
"2022065","8.6224","0.0002","7.0489","0.0002","9.8061","0.0002","90","","106.486","0.002","90","","571.5","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C12 H32 Cl4 N4 O6 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0369","0.0248","","","0.0479","0.0556","","","","","","1.0417","","","","has coordinates","250644","2020-10-21","18:00:00",""
"2022066","4.8462","0.0019","13.901","0.006","16.316","0.007","90","","90","","90","","1099.2","0.8","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0213","0.019","","","0.0443","0.0449","","","","","","0.9073","","","","has coordinates","250645","2020-10-21","18:00:00",""
"2022067","11.047","0.001","10.129","0.001","18.652","0.002","90","","97.223","0.003","90","","2070.5","0.4","70","","70","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0319","0.0319","","","0.067","0.067","","","","","","1.0121","","","","has coordinates","279947","2022-12-20","10:58:44",""
"2022068","6.091","0.0003","3.4928","0.0002","11.8372","0.0006","90","","103.901","0.002","90","","244.46","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0123","0.0123","","","0.037","0.037","","","","","","1.2518","","","","has coordinates","250647","2020-10-21","18:00:00",""
"2022069","10.978","0.001","10.006","0.001","18.488","0.002","90","","97.223","0.004","90","","2014.7","0.3","35","","35","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0216","0.0195","","","0.0443","0.0455","","","","","","0.9416","","","","has coordinates","279947","2022-12-20","10:58:44",""
"2022070","9.948","0.0002","7.9637","0.0002","4.9826","0.0001","90","","83.13","0.01","90","","391.902","0.017","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl N2 O2 -","- C5 H13 Cl N2 O2 -","- C10 H26 Cl2 N4 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0139","0.0139","","","0.0304","0.0304","","","","","","0.9514","","","","has coordinates","250649","2020-10-21","18:00:00",""
"2022071","10.207","0.006","4.78","0.003","11.955","0.007","90","","101.39","0.01","90","","571.8","0.6","20","1","20","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0136","0.0131","","","0.032","0.0322","","","","","","1.2761","","","","has coordinates","250650","2020-10-21","18:00:00",""
"2022072","4.2427","0.0004","5.9648","0.0005","10.5801","0.001","105.736","0.005","94.912","0.005","91.927","0.004","256.32","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C8 H8 N4 O2 S2 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0179","0.0171","","","0.0455","0.0458","","","","","","1.2467","","","","has coordinates","250651","2020-10-21","18:00:00",""
"2022073","6.0867","0.0001","6.0867","0.0001","8.4958","0.0004","90","","90","","90","","314.752","0.017","15","1","15","1","","","","","","","","3","I -4","I -4","82","","","","- C1.25 H3 O -","- C1.25 H3 O -","- C10 H24 O8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0106","0.0106","","","0.0286","0.0286","","","","","","1.5258","","","","has coordinates","250652","2020-10-21","18:00:00",""
"2022074","12.584","0.003","9.699","0.002","3.674","0.002","90","","90","","90","","448.4","0.3","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N3 O -","- C4 H3 N3 O -","- C16 H12 N12 O4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0301","0.0265","","","0.0622","0.0658","","","","","","1.0485","","","","has coordinates","250653","2020-10-21","18:00:00",""
"2022075","11.0299","0.0002","10.0921","0.0002","18.6365","0.0003","90","","97.238","0.002","90","","2057.99","0.07","100","","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0343","0.0341","","","0.0621","0.0622","","","","","","1.0398","","","","has coordinates","279947","2022-12-20","10:58:44",""
"2022076","4.8818","0.0002","11.2009","0.0005","11.2335","0.0005","90","","92.621","0.002","90","","613.61","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0279","0.0239","","","0.0588","0.0601","","","","","","1.125","","","","has coordinates","250655","2020-10-21","18:00:00",""
"2022077","6.0893","0.0002","3.4965","0.0001","11.8311","0.0004","90","","103.883","0.002","90","","244.54","0.014","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0237","0.0237","","","0.0545","0.0545","","","","","","1.0558","","","","has coordinates","250656","2020-10-21","18:00:00",""
"2022078","9.572","0.003","10.039","0.003","10.548","0.003","90","","90","","90","","1013.6","0.5","110","5","110","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C24 H64 N8 O24 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71068","MoKα","","0.0136","0.0128","","","0.0289","0.0291","","","","","","0.9561","","","","has coordinates","250657","2020-10-21","18:00:00",""
"2022079","6.922","0.001","6.501","0.001","11.262","0.001","90","","90.485","0.001","90","","506.77","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.503","synchrotron","","0.0318","0.0264","","","0.0991","0.1106","","","","","","1.1205","","","","has coordinates","250658","2020-10-21","18:00:00",""
"2022080","13.659","0.003","6.256","0.001","12.862","0.003","90","","107","0.03","90","","1051","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5","synchrotron","","0.0241","0.0216","","","0.0569","0.0579","","","","","","1.0739","","","","has coordinates","250659","2020-10-21","18:00:00",""
"2022081","5.4315","0.0001","9.8019","0.0001","17.3505","0.0002","90","","90","","90","","923.72","0.02","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Cl N2 O3 -","- C6 H15 Cl N2 O3 -","- C24 H60 Cl4 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.475","synchrotron","","0.0147","0.0145","","","0.0367","0.0368","","","","","","1.1883","","","","has coordinates","250660","2020-10-21","18:00:00",""
"2022082","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0182","0.0175","","","0.0415","0.0417","","","","","","1.1842","","","","has coordinates","250661","2020-10-21","18:00:00",""
"2022083","8.8994","0.0005","8.8994","0.0005","11.375","0.0011","90","","90","","90","","900.89","0.11","303","1","303","1","","","","","","","","5","P 43","P 4cw","78","","Poly[2-hydroxy-<i>N</i>-methylethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]","","- C6 H10 Cu2 N4 O -","- C6 H10 Cu2 N4 O -","- C24 H40 Cu8 N16 O4 -","4","1","OP3005","Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R.","Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004477","","","0.7107","MoKα","","0.0281","0.0248","","","0.0476","0.0483","","","","","","1.079","","","","has coordinates,has Fobs","250918","2020-10-21","18:00:00",""
"2022084","17.1976","0.001","16.7629","0.0009","16.3162","0.001","90","","90","","90","","4703.7","0.5","295","","295","","","","","","","","","5","I b c a","-I 2b 2c","73","","Poly[[μ~2~-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]cobalt(II)]","","- C23 H20 Co N4 O5 -","- C23 H20 Co N4 O5 -","- C184 H160 Co8 N32 O40 -","8","0.5","ZO3003","Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue","3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004970","","x-ray","0.71073","MoKα","","0.0404","0.0316","","","0.0921","0.0964","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","250919","2020-10-21","18:00:00",""
"2022085","8.0331","0.0004","17.6045","0.0011","17.6523","0.0009","90","","98.077","0.004","90","","2471.6","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[μ~3~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]dicobalt(II)]","","- C54 H42 Co2 N12 O10 -","- C54 H42 Co2 N12 O10 -","- C108 H84 Co4 N24 O20 -","2","0.5","ZO3003","Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue","3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004970","","x-ray","0.71073","MoKα","","0.0628","0.0391","","","0.085","0.0966","","","","","","1.031","","","","has coordinates,has Fobs","250919","2020-10-21","18:00:00",""
"2022086","9.0061","0.0007","10.3811","0.0008","11.683","0.0009","82.848","0.007","84.322","0.007","67.522","0.008","999.87","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(methanol-κ<i>O</i>)bis[5-methyl-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)iron(II)","","- C42 H40 Fe N10 O6 S2 -","- C42 H40 Fe N10 O6 S2 -","- C42 H40 Fe N10 O6 S2 -","1","0.5","LF3116","Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen","Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004854","","","0.71073","MoKα","","0.0529","0.0411","","","0.1027","0.1105","","","","","","1.029","","","","has coordinates,has Fobs","250920","2020-10-21","18:00:00",""
"2022087","8.3685","0.0005","17.9701","0.001","14.8291","0.0011","90","","103.411","0.007","90","","2169.2","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis[μ-5-methyl-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ^2^<i>N</i>:<i>N</i>']] methanol disolvate dihydrate]","","- C42 H44 Fe N10 O8 S2 -","- C42 H44 Fe N10 O8 S2 -","- C84 H88 Fe2 N20 O16 S4 -","2","0.5","LF3116","Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen","Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004854","","","0.71073","MoKα","","0.078","0.0639","","","0.1582","0.1686","","","","","","1.066","","","","has coordinates,has Fobs","250920","2020-10-21","18:00:00",""
"2022088","13.54","0.0007","14.0473","0.0006","22.0478","0.0012","90","","102.895","0.005","90","","4087.7","0.4","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~3~-4-[(4-carboxy-3-carboxylatophenyl)dimethylsilyl]benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3'^}-tris(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)trinickel(II)] methanol tetrasolvate]","","- C70 H114 N12 Ni3 O20 Si2 -","- C70 H114 N12 Ni3 O20 Si2 -","- C140 H228 N24 Ni6 O40 Si4 -","2","0.5","QF3038","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.","A 2D coordination polymer assembled from a nickel(II) tetraazamacrocyclic cation and 4,4'-(dimethylsilanediyl)diphthalate(3‒) linker","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005008","","","0.71073","MoKα","","0.1134","0.0683","","","0.1138","0.1295","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","250977","2020-10-21","18:00:00",""
"2022089","14.6563","0.0008","19.718","0.0009","7.2197","0.0005","90","","90","","94.0997","0.0017","2081.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1 (c,2*a+c,b)","-P 2ybc (-1/2*x+z,1/2*x,y)","14","sodium sulfite heptahydrate","Sodium sulfite heptahydrate","","- H14 Na2 O10 S -","- H14 Na2 O10 S -","- H112 Na16 O80 S8 -","8","","EP3004","Weil, Matthias; Mereiter, Kurt","Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004404","","","0.71073","MoKα","","0.029","0.0226","","","0.06","0.0627","","","","","","1.057","","","","has coordinates,has Fobs","250978","2020-10-21","18:00:00",""
"2022090","11.8576","0.0008","7.2197","0.0005","12.6965","0.0009","90","","106.794","0.0017","90","","1040.57","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sodium sulfite heptahydrate","","","- H14 Na2 O10 S -","- H14 Na2 O10 S -","- H56 Na8 O40 S4 -","4","1","","Weil, Matthias; Mereiter, Kurt","Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004404","","","0.71073","MoKα","","0.029","0.0226","","","0.06","0.0627","","","","","","1.057","","","","has coordinates","250979","2020-10-21","18:00:00",""
"2022091","27.2812","0.0012","6.21","0.0003","20.9742","0.0009","90","","106.931","0.001","90","","3399.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-Bis(pyrimidin-5-yl)ethyne‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C16 H6 F4 I2 N4 -","- C16 H6 F4 I2 N4 -","- C128 H48 F32 I16 N32 -","8","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0219","0.02","","","0.0492","0.0502","","","","","","1.083","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022092","10.4617","0.001","6.4681","0.0006","23.966","0.002","90","","100.069","0.001","90","","1596.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-Bipyrimidine‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C14 H6 F4 I2 N4 -","- C14 H6 F4 I2 N4 -","- C56 H24 F16 I8 N16 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0335","0.0293","","","0.0502","0.0512","","","","","","1.18","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022093","6.9939","0.0005","13.64","0.001","11.2299","0.0008","90","","94.26","0.001","90","","1068.34","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C40 H26 F8 I4 N6 -","2","0.5","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0187","0.0178","","","0.0428","0.0433","","","","","","1.064","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022094","9.174","0.0007","14.0178","0.001","17.5605","0.0013","100.065","0.001","95.285","0.001","107.225","0.001","2098.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C80 H52 F16 I8 N12 -","4","2","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0245","0.0211","","","0.0483","0.0501","","","","","","1.038","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022095","9.3688","0.0006","11.4346","0.0007","12.0797","0.0007","62.075","0.001","82.31","0.001","68.234","0.001","1060.63","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,4-tetrafluoro-5,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C40 H26 F8 I4 N6 -","2","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0217","0.0197","","","0.0452","0.0462","","","","","","1.102","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022096","7.2512","0.0006","20.6215","0.0017","17.1906","0.0014","90","","101.166","0.001","90","","2521.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,4-tetrafluoro-5,6-diiodobenzene‒benzene (1/1/1)","","- C26 H19 F4 I2 N3 -","- C26 H19 F4 I2 N3 -","- C104 H76 F16 I8 N12 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0413","0.0316","","","0.0737","0.0777","","","","","","1.045","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022097","9.0191","0.0018","26.805","0.005","9.5664","0.0019","90","","112.052","0.003","90","","2143.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C80 H52 F16 I8 N12 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0612","0.0557","","","0.1446","0.1472","","","","","","1.132","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022098","6.091","0.0013","17.016","0.004","10.707","0.002","90","","90.581","0.005","90","","1109.7","0.4","120.15","","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8a-Phenyl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-one","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","OV3138","Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.","Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005409","","x-ray","0.71073","MoKα","","0.0959","0.0698","","","0.1929","0.2076","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","251175","2020-10-21","18:00:00",""
"2022099","10.143","0.002","11.703","0.003","10.776","0.003","90","","107.84","0.03","90","","1217.6","0.6","295","2","295.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8a-(4-Methylphenyl)-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-one","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","OV3138","Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.","Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005409","","x-ray","0.71073","MoKα","","0.0657","0.0498","","","0.1213","0.135","","","","","","1.035","","","","has coordinates,has Fobs","251175","2020-10-21","18:00:00",""
"2022100","9.251","0.002","9.516","0.002","13.217","0.004","90","","90.06","0.02","90","","1163.5","0.5","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium carnallite","Potassium chloride magnesium dichloride hexahydrate","","- Cl3 H12 K Mg O6 -","- Cl3 H12 K Mg O6 -","- Cl12 H48 K4 Mg4 O24 -","4","0.5","UK3195","Pannach, Melanie; Paschke, Iris; Schmidt, Horst; Freyer, Daniela; Voigt, Wolfgang","Crystallization of metastable monoclinic carnallite, KCl·MgCl~2~·6H~2~O: missing structural link in the carnallite family","Acta Crystallographica Section C","2020","76","5","507","512","10.1107/S2053229620005197","","","0.71073","MoKα","","0.045","0.0347","","","0.0882","0.0961","","","","","","1.206","","","","has coordinates,has Fobs","251302","2020-10-21","18:00:00",""
"2022101","8.647","0.003","8.819","0.003","10.125","0.002","70.58","0.02","79.61","0.03","75.26","0.03","700.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquacopper(II)]-bis[μ-2-(pyridin-4-yl)quinoline-4-carboxylato]-κ^2^<i>N</i>^2^,<i>O</i>;κ^2^<i>O</i>,<i>N</i>]","","- C30 H26 Cu N4 O8 -","- C30 H26 Cu N4 O8 -","- C30 H26 Cu N4 O8 -","1","0.5","EF3006","Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej","A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine","Acta Crystallographica Section C","2020","76","5","500","506","10.1107/S2053229620004593","","","0.71073","MoKα","","0.0793","0.0533","","","0.0984","0.1078","","","","","","0.997","","","","has coordinates,has Fobs","251303","2020-10-21","18:00:00",""
"2022102","8.402","0.003","13.243","0.003","24.421","0.003","90","","95.08","0.03","90","","2706.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Carboxyquinolin-2-yl)pyridinium chloride monohydrate","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C120 H104 Cl8 N16 O24 -","8","2","EF3006","Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej","A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine","Acta Crystallographica Section C","2020","76","5","500","506","10.1107/S2053229620004593","","","0.71073","MoKα","","0.1157","0.0569","","","0.1034","0.1109","","","","","","1.066","","","","has coordinates,has Fobs","251303","2020-10-21","18:00:00",""
"2022103","9.1086","0.0002","6.3149","0.0002","11.0428","0.0003","90","","95.585","0.001","90","","632.17","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7-Iodo-5-aza-7-deazaguanosine","","- C10 H12 I N5 O5 -","- C10 H12 I N5 O5 -","- C20 H24 I2 N10 O10 -","2","1","YF3200","Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank","7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization","Acta Crystallographica Section C","2020","76","5","513","523","10.1107/S2053229620004684","","","1.54178","CuKα","","0.037","0.0361","","","0.0964","0.097","","","","","","1.07","","","","has coordinates,has Fobs","251304","2020-10-21","18:00:00",""
"2022104","12.8308","0.0006","21.3307","0.0012","4.6463","0.0002","90","","90","","90","","1271.65","0.11","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0637","0.0333","","","0.0747","0.0862","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022105","10.6731","0.0002","18.0023","0.0005","6.547","0.0002","90","","90","","90","","1257.94","0.06","120","2","120","2","","","","","","","","6","","P 2ac 2ab (x,y,z+1/4)","19","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0722","0.0428","","","0.0698","0.0775","","","","","","0.99","","","","has coordinates,has Fobs","251353","2020-10-21","18:00:00",""
"2022106","11.6799","0.0004","18.2664","0.0008","6.0984","0.0002","90","","90","","90","","1301.09","0.08","220","2","220","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C7.9982 H5.9952 F4 I2 O0.999 S0.9992 -","- C31.9928 H23.9808 F16 I8 O3.996 S3.9968 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0734","0.0382","","","0.0708","0.0824","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022107","10.1953","0.0004","14.2866","0.0005","14.9027","0.0005","90","","103.845","0.003","90","","2107.6","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[(2<i>E</i>)-2-(1<i>H</i>-Imidazol-4-ylmethylidene)-1-methylhydrazinyl]pyridine","","- C10 H11 N5 -","- C10 H11 N5 -","- C80 H88 N40 -","8","2","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","","0.7107","MoKα","","0.0527","0.0396","","","0.0954","0.104","","","","","","1.051","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022108","8.2711","0.0007","14.0773","0.0012","22.2655","0.0016","90","","99.373","0.008","90","","2557.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2<i>E</i>)-2-(1<i>H</i>-Imidazol-2-ylmethylidene)-1-methylhydrazinyl]-1<i>H</i>-benzimidazole monohydrate","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C96 H112 N48 O8 -","8","2","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.1007","0.0486","","","0.087","0.1018","","","","","","0.946","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022109","9.1836","0.0003","16.5814","0.0004","20.8041","0.0006","106.76","0.002","97.854","0.002","103.408","0.002","2879.43","0.15","130","1","130","1","","","","","","","","4","P -1","-P 1","2","","2-{(2<i>E</i>)-1-Methyl-2-[(1-methyl-1<i>H</i>-imidazol-2-yl)methylidene]hydrazinyl}-1<i>H</i>-benzimidazole hydrate","","- C13 H16.5 N6 O1.25 -","- C13 H16.5 N6 O1.25 -","- C104 H132 N48 O10 -","8","4","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","1.54184","CuKα","","0.055","0.0467","","","0.1295","0.1399","","","","","","1.025","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022110","8.9818","0.0005","9.5704","0.0005","21.1278","0.0012","90","","95.383","0.005","90","","1808.12","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-{(1<i>E</i>)-[2-(1<i>H</i>-1,3-Benzodiazol-2-yl)-2-methylhydrazinylidene]methyl}-1<i>H</i>-imidazol-3-ium trifluoromethanesulfonate monohydrate","","- C13 H15 F3 N6 O4 S -","- C13 H15 F3 N6 O4 S -","- C52 H60 F12 N24 O16 S4 -","4","1","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.0761","0.0599","","","0.1554","0.1678","","","","","","1.034","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022111","12.2524","0.0005","14.0242","0.0005","11.4488","0.0005","90","","102.259","0.004","90","","1922.39","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{(2<i>E</i>)-1-Methyl-2-[(1<i>H</i>-imidazol-3-ium-2-yl)methylidene]hydrazinyl}pyridinium bis(trifluoromethanesulfonate)","","- C12 H13 F6 N5 O6 S2 -","- C12 H13 F6 N5 O6 S2 -","- C48 H52 F24 N20 O24 S8 -","4","1","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.0692","0.0489","","","0.1227","0.1319","","","","","","1.049","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022112","4.1177","0.0013","13.502","0.004","14.151","0.004","78.864","0.012","83.719","0.012","87.935","0.012","767.2","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","(<i>E</i>)-1,2-Bis(pyridin-4-yl)ethene‒1,2-diiodoperchlorobenzene","1,2-Diiodo-3,4,5,6-chlorobenzene‒<i>trans</i>-1,2-bis(pyridin-4-yl)thylene (2/1)","","- C12 H5 Cl4 I2 N -","- C12 H5 Cl4 I2 N -","- C24 H10 Cl8 I4 N2 -","2","1","OV3139","Bosch, Eric; Battle, Jessica D.; Groeneman, Ryan H.","Crystal structure and photoreactivity of a halogen-bonded cocrystal based upon 1,2-diiodoperchlorobenzene and 1,2-bis(pyridin-4-yl)ethylene","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006233","","","0.71073","MoKα","","0.0393","0.0288","","","0.0586","0.0654","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","252048","2020-10-21","18:00:00",""
"2022113","9.1612","0.0004","10.8591","0.0006","11.7273","0.0007","94.303","0.004","101.914","0.004","106.254","0.004","1084.89","0.11","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-3-ammoniopyridinium) hexachloridobismuth(III) chloride monohydrate","","- C10 H20 Bi Cl7 N6 O -","- C10 H20 Bi Cl7 N6 O -","- C20 H40 Bi2 Cl14 N12 O2 -","2","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0416","0.0364","","","0.0707","0.0748","","","","","","1.031","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022114","8.8144","0.0003","8.9982","0.0003","12.344","0.0004","76.784","0.003","87.111","0.003","88.514","0.003","951.8","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-amino-3-methylpyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)]","","- C24 H36 Bi2 Cl10 N8 -","- C24 H36 Bi2 Cl10 N8 -","- C24 H36 Bi2 Cl10 N8 -","1","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0277","0.0241","","","0.0469","0.0486","","","","","","1.024","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022115","9.2145","0.0003","9.0678","0.0002","12.6314","0.0004","75.476","0.003","86.926","0.003","89.221","0.002","1020.22","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-amino-3-methylpyridinium) di-μ-bromido-bis[tetrabromidobismuth(III)]","","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","1","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0347","0.0282","","","0.0558","0.0592","","","","","","1.059","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022116","18.0583","0.0002","12.0745","0.00012","13.438","0.00015","90","","104.08","0.0011","90","","2842.05","0.05","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4-amino-3-ammoniopyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)] dihydrate","","- C10 H22 Bi2 Cl10 N6 O2 -","- C10 H22 Bi2 Cl10 N6 O2 -","- C40 H88 Bi8 Cl40 N24 O8 -","4","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0181","0.0155","","","0.0289","0.0296","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","252049","2020-10-21","18:00:00",""
"2022117","12.02106","0.00015","7.8088","0.00009","15.3298","0.0002","90","","90.053","0.0011","90","","1439.01","0.03","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[2,6-diaminopyridinium [[<i>cis</i>-diiodidobismuth(III)]-di-μ-iodido]]","","- C5 H8 Bi I4 N3 -","- C5 H8 Bi I4 N3 -","- C20 H32 Bi4 I16 N12 -","4","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0241","0.0203","","","0.0381","0.0397","","","","","","1.054","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022118","11.6622","0.00015","14.08143","0.00019","7.35193","0.00009","90","","94.7149","0.0013","90","","1203.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2,6-diaminopyridinium [[<i>cis</i>-dibromidobismuth(III)]-di-μ-bromido]]","","- C5 H7 Bi Br4 N2 -","- C5 H7 Bi Br4 N2 -","- C20 H28 Bi4 Br16 N8 -","4","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.029","0.0231","","","0.0473","0.0496","","","","","","1.049","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022119","12.3143","0.0014","16.3192","0.0019","23.367","0.003","90","","103.545","0.003","90","","4565.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato)bis{[1,3-phenylenebis(methylene)]bis(1<i>H</i>-imidazole)}dizinc(II)] dimethylformamide monosolvate dihydrate]","","- C47 H45 N9 O11 Zn2 -","- C44 H34 N8 O8 Zn2 -","- C176 H136 N32 O32 Zn8 -","4","0.5","EF3007","Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun","Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section C","2020","76","6","","","10.1107/S205322962000604X","","","0.71073","MoKα","","0.1167","0.0543","","","0.0979","0.1167","","","","","","1.005","","","","has coordinates,has Fobs","252050","2020-10-21","18:00:00",""
"2022120","12.436","0.0007","24.0412","0.0013","28.4613","0.0015","90","","90","","90","","8509.3","0.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato)bis{[1,4-πhenylenebis(methylene)]bis(1<i>H</i>-imidazole)}dizinc(II)] monohydrate]","","- C44 H36 N8 O9 Zn2 -","- C44 H36 N8 O9 Zn2 -","- C352 H288 N64 O72 Zn16 -","8","0.5","EF3007","Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun","Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section C","2020","76","6","","","10.1107/S205322962000604X","","","0.71073","MoKα","","0.0717","0.0508","","","0.1201","0.1325","","","","","","1.006","","","","has coordinates,has Fobs","252050","2020-10-21","18:00:00",""
"2022121","18.464","0.0007","13.7652","0.0006","9.3158","0.0003","90","","98.847","0.004","90","","2339.54","0.16","110","1","110","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1-(<i>o</i>-Tolyl)biguanidium chloride","2-[Amino(iminiumyl)methyl]-1-(2-methylphenyl)guanidine chloride","","- C9 H14 Cl N5 -","- C9 H14 Cl N5 -","- C72 H112 Cl8 N40 -","8","1","KU3263","Kaabi, Kamel; Klai, Kacem; Wenger, Emmanuel; Jelsch, Christian; Lefebvre, Frédéric; Nasr, Cherif Ben","Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(<i>o</i>-tolyl)biguanidium chloride","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006336","","","0.71073","MoKα","","0.0567","0.0567","","","0.0612","0.0654","","","","","","0.974","","","","has coordinates,has Fobs","252170","2020-10-21","18:00:00",""
"2022122","12.98","0.003","16.037","0.003","7.8571","0.0016","90","","92.406","0.003","90","","1634.1","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{Diiodo[(phenyltellanyl)selanyl]-λ^4^-tellanyl}benzene","","- C12 H10 I2 Se Te2 -","- C12 H10 I2 Se Te2 -","- C48 H40 I8 Se4 Te8 -","4","1","YF3201","Torubaev, Yury V.","Chimeric supramolecular synthons in Ph~2~Te~2~(I~2~)Se","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006166","","","0.71073","MoKα","","0.093","0.0452","","","0.0684","0.0809","","","","","","0.979","","","","has coordinates,has Fobs","252171","2020-10-21","18:00:00",""
"2022123","11.7867","0.0011","4.4744","0.0004","15.0453","0.0014","90","","112.464","0.007","90","","733.26","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Chloromethyl)-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","x-ray","0.71073","MoKα","","0.0375","0.0295","","","0.0833","0.0852","","","","","","1.062","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022124","11.785","0.004","4.469","0.0009","15.004","0.004","90","","112.537","0.006","90","","729.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","1-(Chloromethyl)-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","","0.61992","synchrotron","","0.0453","0.0431","","","0.1202","0.122","","","","","","1.072","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022125","12.1412","0.0005","4.4763","0.0002","15.0876","0.0006","90","","112.626","0.003","90","","756.87","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Bromomethyl)-3-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","x-ray","0.71073","MoKα","","0.0673","0.0368","","","0.0719","0.0749","","","","","","1.086","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022126","12.152","0.009","4.47","0.003","15.07","0.011","90","","112.56","0.02","90","","756","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Bromomethyl)-3-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","","0.61992","synchrotron","","0.0346","0.0326","","","0.088","0.0895","","","","","","1.104","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022127","9.738","0.0009","9.9295","0.0011","10.803","0.001","75.924","0.009","79.438","0.008","86.77","0.008","995.97","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","4,4',4''-(4,4,8,8,12,12-Hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]\ quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoic acid methanol 1.25-solvate","","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","1","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","0.71073","MoKα","","0.0545","0.045","","","0.1067","0.1165","","","","","","1.046","","","","has coordinates,has Fobs","252311","2020-10-21","18:00:00",""
"2022128","10.557","0.0004","11.7711","0.0005","20.7242","0.0009","89.106","0.003","87.402","0.003","66.982","0.004","2367.86","0.18","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-10-(4-carboxyphenyl)-4,4'-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6-diyl)dibenzoato]","","- C48 H43 Cd N O9 -","- C48 H43 Cd N O9 -","- C96 H86 Cd2 N2 O18 -","2","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","1.54184","CuKα","","0.0432","0.0421","","","0.1024","0.1031","","","","","","1.053","","","","has coordinates,has disorder","252311","2020-10-21","18:00:00",""
"2022129","6.16863","0.00014","34.8853","0.0008","22.0643","0.0004","90","","91.825","0.002","90","","4745.71","0.18","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-4,4',4''-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoato](μ~3~-hydroxido)dizinc(II)]","","- C48 H37 N O7 Zn2 -","- C48 H37 N O7 Zn2 -","- C192 H148 N4 O28 Zn8 -","4","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","1.54184","CuKα","","0.0694","0.0611","","","0.1748","0.1848","","","","","","1.076","","","","has coordinates","252311","2020-10-21","18:00:00",""
"2022130","12.7917","0.0014","12.7917","0.0014","5.8996","0.0006","90","","90","","120","","836.01","0.15","200","2","200","2","","","","","","","","4","P 3","P 3","143","3,5,7-Trinitro-1-azaadamantane","2,5,7-Trinitro-1-azatricyclo[3.3.1.13.7]decane","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C27 H36 N12 O18 -","3","1","VP3006","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald","Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006762","","","0.71073","MoKα","","0.0426","0.0321","","","0.0602","0.0632","","","","","","0.92","","","","has coordinates,has Fobs","252312","2020-10-21","18:00:00",""
"2022131","11.857","0.003","12.936","0.003","13.877","0.003","90","","90","","90","","2128.5","0.9","200","","200","","","","","","","","","5","P m m a","-P 2a 2a","51","","Poly[(μ-4,4'-bipyridyl)[μ~8~-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrabenzoato]cobalt(II)]","","- C40 H24 Co2 N2 O8 -","- C40 H24 Co2 N2 O8 -","- C80 H48 Co4 N4 O16 -","2","0.25","YP3203","Dou, Yong; Yang, Lu; Qin, Lan; Dong, Yunhui; Zhou, Zhen; Zhang, Daopeng; Wang, Suna","Self-assembly of a cobalt(II)-based metal‒organic framework as an effective water-splitting heterogeneous catalyst for light-driven hydrogen production","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620007044","","","0.71073","MoKα","","0.0828","0.0572","","","0.1543","0.1774","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","252456","2020-10-21","18:00:00",""
"2022132","10.5601","0.0007","11.0044","0.0012","11.8145","0.001","80.212","0.008","69.124","0.007","78.565","0.007","1249.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","1","0.5","TX2022","Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","Acta Crystallographica Section E Crystallographic Communications","2020","76","6","944","","10.1107/S2056989020006738","","","0.71073","MoKα","","0.0645","0.0501","","","0.1426","0.1555","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252481","2020-10-21","18:00:00",""
"2022133","7.9253","0.0016","5.9962","0.0014","8.433","0.002","90","","113.551","0.018","90","","367.37","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride","","- C6 H10 F2 N2 O -","- C6 H10 F2 N2 O -","- C12 H20 F4 N4 O2 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0371","0.0352","","","0.0949","0.0964","","","","","","1.053","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022134","14.4984","0.0018","6.722","0.002","8.113","0.007","90","","90","","90","","790.7","0.7","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","4,6-Dimethyl-2-pyrimidonium bromide","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide","","- C6 H9 Br N2 O -","- C6 H9 Br N2 O -","- C24 H36 Br4 N8 O4 -","4","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.035","0.0312","","","0.0919","0.0963","","","","","","1.088","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022135","7.1803","0.001","7.2139","0.0018","8.6574","0.0012","90","","100.603","0.011","90","","440.78","0.14","120","","120","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","4,6-Dimethyl-2-pyrimidonium iodide","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodide","","- C6 H9 I N2 O -","- C6 H9 I N2 O -","- C12 H18 I2 N4 O2 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0597","0.0589","","","0.1642","0.1646","","","","","","1.094","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022136","8.772","0.001","11.5579","0.001","14.07","0.0016","90","","127.378","0.007","90","","1133.6","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,6-Dimethyl-2-pyrimidonium iodide‒urea (1/1)","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodide‒urea (1/1)","","- C7 H13 I N4 O2 -","- C7 H13 I N4 O2 -","- C28 H52 I4 N16 O8 -","4","1","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0336","0.0324","","","0.0919","0.0934","","","","","","1.068","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022137","6.3876","0.0011","8.8268","0.0013","10.5","0.002","90","","99.355","0.015","90","","584.14","0.17","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4,6-Dimethyl-2-pyrimidothionium bifluoride‒thiourea (1/1)","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium bifluoride‒thiourea (1/1)","","- C7 H14 F2 N4 S2 -","- C7 H14 F2 N4 S2 -","- C14 H28 F4 N8 S4 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0749","0.0707","","","0.2168","0.2199","","","","","","1.18","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022138","8.4675","0.0011","14.9142","0.0019","6.8814","0.0009","90","","101.575","0.01","90","","851.35","0.19","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4,6-Dimethyl-2-pyrimidothionium bromide","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium bromide","","- C6 H9 Br N2 S -","- C6 H9 Br N2 S -","- C24 H36 Br4 N8 S4 -","4","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0663","0.0644","","","0.1641","0.1681","","","","","","1.052","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022139","8.7198","0.0014","15.095","0.003","7.0716","0.0011","90","","90","","90","","930.8","0.3","120","","120","","","","","","","","","5","C m c m","-C 2c 2","63","4,6-Dimethyl-2-pyrimidothionium iodide","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium iodide","","- C6 H9 I N2 S -","- C6 H9 I N2 S -","- C24 H36 I4 N8 S4 -","4","0.25","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.027","0.0245","","","0.0593","0.0599","","","","","","1.072","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022140","3.8224","0.0002","19.5339","0.0007","16.536","0.0006","90","","91.604","0.004","90","","1234.2","0.09","100.01","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Oroxylin A","5,7-Dihydroxy-6-methoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0564","0.0438","","","0.1075","0.113","","","","","","1.042","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022141","9.78509","0.00013","15.8032","0.0002","8.33104","0.00011","90","","91.3453","0.0011","90","","1287.92","0.03","100.01","0.1","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Negletein","5,6-Dihydroxy-7-methoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0346","0.0301","","","0.0756","0.0785","","","","","","1.002","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022142","4.64835","0.00006","16.4123","0.0002","18.329","0.0003","90","","90","","90","","1398.32","0.03","100.01","0.1","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Wogonin Monohydrate","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one monohydrate","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0226","0.022","","","0.0589","0.0593","","","","","","1.032","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022143","4.39382","0.00009","18.7848","0.0003","16.8308","0.0003","90","","96.5918","0.0019","90","","1379.98","0.04","100.01","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one 1.25-hydrate","","- C16 H14.5 O6.25 -","- C16 H14.5 O6.25 -","- C64 H58 O25 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","","1.54184","CuKα","","0.048","0.0439","","","0.1098","0.1134","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","252948","2020-10-21","18:00:00",""
"2022144","11.6814","0.0005","6.431","0.0003","16.0589","0.0008","90","","100.687","0.002","90","","1185.47","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Phenylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C60 H36 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0419","0.0358","","","0.0962","0.1026","","","","","","1.041","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022145","7.5676","0.0005","20.2663","0.0014","9.2503","0.0007","90","","112.957","0.003","90","","1306.33","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methylphenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.041","0.0361","","","0.0927","0.098","","","","","","1.048","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022146","11.0993","0.0008","12.8996","0.0009","9.2234","0.0006","90","","106.675","0.002","90","","1265.04","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H8 Cl N3 O2 -","- C15 H8 Cl N3 O2 -","- C60 H32 Cl4 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0414","0.0324","","","0.081","0.089","","","","","","1.077","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022147","16.7331","0.0012","5.9676","0.0004","13.681","0.001","90","","112.82","0.003","90","","1259.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H8 Cl N3 O2 -","- C15 H8 Cl N3 O2 -","- C60 H32 Cl4 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0469","0.0343","","","0.0772","0.0871","","","","","","1.121","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022148","11.1518","0.0005","9.3143","0.0004","14.2417","0.0006","90","","98.655","0.002","90","","1462.46","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[4-hydroxy-1-(2-methylphenyl)-1<i>H</i>-1,2,3-triazol-5-yl]benzoate","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0453","0.0415","","","0.0955","0.0976","","","","","","1.067","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022149","18.7572","0.0014","13.2095","0.001","16.75","0.002","90","","105.374","0.005","90","","4001.7","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Benzyl-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indolin-2-one","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C192 H168 N8 O32 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0756","0.0465","","","0.0977","0.1098","","","","","","1.018","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022150","9.1028","0.0008","10.6434","0.0009","11.2539","0.001","88.988","0.003","68.422","0.003","81.352","0.003","1001.55","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-{2-[4-(dimethylamino)phenyl]-2-oxoethyl}-3-hydroxyindolin-2-one","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C50 H48 N4 O6 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0448","0.0376","","","0.0903","0.0983","","","","","","1.052","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022151","7.8838","0.0005","10.1766","0.0008","11.8719","0.0009","87.554","0.003","75.996","0.002","69.428","0.002","864.3","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]indolin-2-one","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C44 H36 N4 O6 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0466","0.0383","","","0.0921","0.1012","","","","","","1.074","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022152","11.8136","0.0007","12.4987","0.001","13.5976","0.0011","93.084","0.003","101.883","0.002","95.055","0.002","1951.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-oxoethyl]-1-benzyl-3-hydroxyindolin-2-one","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","2","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0518","0.0393","","","0.0929","0.106","","","","","","1.084","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022153","7.6021","0.0006","20.488","0.0013","10.9319","0.0007","90","","96.986","0.003","90","","1690","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-Benzyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]indolin-2-one","","- C23 H16 F N O2 -","- C23 H16 F N O2 -","- C92 H64 F4 N4 O8 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0875","0.0581","","","0.1222","0.134","","","","","","1.047","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022154","4.9743","0.0002","29.1957","0.0013","12.4406","0.0006","90","","100.914","0.002","90","","1774.05","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]indolin-2-one","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0443","0.0374","","","0.09","0.0952","","","","","","1.055","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022155","7.3457","0.0006","18.0675","0.0016","13.1813","0.0013","90","","105.994","0.003","90","","1681.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(pyridin-4-yl)ethylidene]indolin-2-one","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0679","0.0438","","","0.1019","0.1214","","","","","","1.094","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022156","17.5058","0.0014","8.8163","0.0006","21.2092","0.0016","90","","90","","90","","3273.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(thiophen-2-yl)ethylidene]indolin-2-one","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C168 H120 N8 O16 S8 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0546","0.0378","","","0.0818","0.092","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252950","2020-10-21","18:00:00",""
"2022157","8.201","0.0006","9.7629","0.0007","12.174","0.0009","76.755","0.003","87.675","0.003","76.211","0.003","921.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-Benzyl-5-chloro-3-[2-(4-chlorophenyl)-2-oxoethylidene]indolin-2-one","","- C23 H15 Cl2 N O2 -","- C23 H15 Cl2 N O2 -","- C46 H30 Cl4 N2 O4 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0432","0.0321","","","0.0727","0.0817","","","","","","1.108","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022158","9.794","0.0003","9.794","0.0003","19.8673","0.0008","90","","90","","120","","1650.4","0.1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","Bis(8-methoxyquinoline-κ^2^<i>N</i>,<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)","","- C22 H18 Cu N4 O2 S2 -","- C22 H18 Cu N4 O2 S2 -","- C66 H54 Cu3 N12 O6 S6 -","3","0.5","LF3115","Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai","Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620006701","","x-ray","0.71073","MoKα","","0.0645","0.054","","","0.1408","0.1487","","","","","","1.113","","","","has coordinates","252976","2020-10-21","18:00:00",""
"2022159","7.505","0.0011","7.9967","0.0007","11.9102","0.0019","76.112","0.01","71.827","0.014","82.057","0.009","657.73","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[(8-methoxyquinoline-κ^2^<i>N</i>,<i>O</i>)(thiocyanato-κ<i>N</i>)copper(II)]","","- C24 H24 Cu2 N4 O4 S2 -","- C24 H24 Cu2 N4 O4 S2 -","- C24 H24 Cu2 N4 O4 S2 -","1","0.5","LF3115","Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai","Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620006701","","","0.71073","MoKα","","0.1272","0.0836","","","0.2439","0.2719","","","","","","1.129","","","","has coordinates","252976","2020-10-21","18:00:00",""
"2022160","9.4554","0.0007","9.901","0.0008","10.3668","0.0008","90","","97.567","0.001","90","","962.07","0.13","99.96","","99.96","","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) diiodide monohydrate","","- C11 H28 Co I2 N5 O3 -","- C11 H28 Co I2 N5 O3 -","- C22 H56 Co2 I4 N10 O6 -","2","1","DG3007","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.023","0.0224","","","0.0527","0.053","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","252977","2020-10-21","18:00:00",""
"2022161","13.6098","0.0014","11.1177","0.0011","13.6429","0.0014","90","","118.651","0.002","90","","1811.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>L</i>-Asparaginato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride perchlorate","","- C11 H24 Cl2 Co N5 O6 -","- C11 H24 Cl2 Co N5 O6 -","- C44 H96 Cl8 Co4 N20 O24 -","4","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0435","0.037","","","0.0953","0.0987","","","","","","1.06","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022162","11.5455","0.0006","11.8865","0.0006","25.3868","0.0012","90","","90","","90","","3484","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)(triethylenetetramine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride perchlorate","","- C10 H25 Cl2 Co N6 O7 -","- C10 H25 Cl2 Co N6 O7 -","- C80 H200 Cl16 Co8 N48 O56 -","8","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0949","0.0492","","","0.0768","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022163","9.4078","0.0007","9.2511","0.0007","11.6953","0.0008","90","","105.722","0.008","90","","979.79","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5,8,11,14,17-Hexathia-[9.9](2,6,3,5)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C32 H48 N4 S12 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.053","0.0424","","","0.1046","0.1084","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","252983","2020-10-21","18:00:00",""
"2022164","12.2613","0.0008","9.9564","0.0006","16.2828","0.0012","90","","90","","90","","1987.8","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5,8,11,14,17-Hexathia-[9.9](2,5,3,6)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C64 H96 N8 S24 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.0347","0.0245","","","0.0613","0.0635","","","","","","0.971","","","","has coordinates,has Fobs","252983","2020-10-21","18:00:00",""
"2022165","9.5189","0.0004","14.245","0.0005","23.4079","0.0009","90","","95.92","0.003","90","","3157.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn(3+)Cl(tetra-3-pyridinyl-21H,23H-Porphine(2-))]","<i>catena</i>-Poly[[chloridomanganese(III)]-μ~2~-5,10,15,20-tetrakis(pyridin-3-yl)-21<i>H</i>,23<i>H</i>-porphinato(2-)-κ^5^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^:<i>N</i>^5^]","","- C40 H24 Cl Mn N8 -","- C40 H24 Cl Mn N8 -","- C160 H96 Cl4 Mn4 N32 -","4","1","OC3002","Wen-Tong Chen","A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties","Acta Crystallographica, Section C","2020","76","5","375","380","10.1107/S2053229620004350","","","0.71073","MoKα","","0.0465","0.037","","","0.0915","0.098","","","","","","1.047","","","","has coordinates,has Fobs","253313","2020-10-21","18:00:00",""
"2022166","12.211","0.0013","8.1447","0.0009","17.6634","0.0019","90","","109.43","0.002","90","","1656.7","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","17-Ethyl-1-hydroxymethyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","QF3039","Hillman, Zachary E.; Tanski, Joseph M.; Roberts, Andrea","Crystal and geometry-optimized structure of an anthracene-based Diels‒Alder adduct","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008128","","","0.71073","MoKα","","0.045","0.0386","","","0.1043","0.1098","","","","","","1.022","","","","has coordinates,has Fobs","253509","2020-10-21","18:00:00",""
"2022167","7.2657","0.0001","14.4917","0.0002","24.6836","0.0003","90","","90.042","0.001","90","","2598.99","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>R</i>,<i>S</i>)-2-Amino-<i>N</i>-[2-(2,3-dimethylphenoxy)ethyl]propan-1-ol","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C104 H168 N8 O16 -","8","2","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0558","0.0528","","","0.1503","0.1526","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","253532","2020-10-21","18:00:00",""
"2022168","6.5225","0.0001","12.7734","0.0002","12.8431","0.0002","118.954","0.001","91.292","0.001","101.139","0.001","910.2","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,3-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0387","0.035","","","0.0913","0.0942","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","253532","2020-10-21","18:00:00",""
"2022169","7.0226","0.0001","7.9585","0.0001","12.5188","0.0001","90","","103.645","0.001","90","","679.92","0.014","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-<i>N</i>-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium chloride","","- C13 H22 Cl N O2 -","- C13 H22 Cl N O2 -","- C26 H44 Cl2 N2 O4 -","2","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0222","0.0218","","","0.0577","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2022170","10.9828","0.0001","10.9828","0.0001","31.824","0.0004","90","","90","","90","","3838.67","0.07","130","2","130","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C152 H208 N16 O32 -","8","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0341","0.0308","","","0.0781","0.0809","","","","","","1.061","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2022171","11.8973","0.0004","8.836","0.0003","21.8286","0.0007","90","","103.454","0.0013","90","","2231.75","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethylformamide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethylformamide monosolvate","","- C20 H21 F3 N4 O3 S -","- C20 H21 F3 N4 O3 S -","- C80 H84 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0643","0.0563","","","0.1417","0.149","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022172","11.9584","0.0003","9.2028","0.0002","21.2811","0.0006","90","","103.383","0.0012","90","","2278.41","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethylacetamide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethylacetamide monosolvate","","- C21 H23 F3 N4 O3 S -","- C21 H23 F3 N4 O3 S -","- C84 H92 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0554","0.0465","","","0.121","0.1289","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022173","11.9978","0.0004","9.0896","0.0003","21.9732","0.0008","90","","101.358","0.002","90","","2349.36","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib <i>N</i>-methyl-2-pyrrolidone monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide <i>N</i>-methylpyrrolidin-2-one monosolvate","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C88 H92 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0656","0.0475","","","0.1245","0.1361","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022174","12.405","0.0003","8.9351","0.0002","22.5727","0.0006","90","","98.6702","0.0013","90","","2473.36","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib tetramethylurea monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide tetramethylurea monosolvate","","- C22 H26 F3 N5 O3 S -","- C22 H26 F3 N5 O3 S -","- C88 H104 F12 N20 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0611","0.0458","","","0.1277","0.1416","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022175","12.4495","0.0017","8.7822","0.0013","22.656","0.003","90","","97.861","0.005","90","","2453.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib 1,3-dimethyltetrahydropyrimidin-2(1H)-one monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide 1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-one monosolvate","","- C23 H26 F3 N5 O3 S -","- C23 H26 F3 N5 O3 S -","- C92 H104 F12 N20 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0469","0.0403","","","0.1119","0.1179","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022176","11.9884","0.0003","9.023","0.0003","20.8537","0.0006","90","","100.391","0.0009","90","","2218.78","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethyl sulfoxide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethyl sulfoxide monosolvate","","- C19 H20 F3 N3 O3 S2 -","- C19 H20 F3 N3 O3 S2 -","- C76 H80 F12 N12 O12 S8 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0484","0.0442","","","0.1217","0.126","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022177","11.2862","0.0003","29.3083","0.0008","19.6024","0.0006","90","","98.393","0.002","90","","6414.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triethylazanium tetrakis(μ~2~-5-amino-1,2,3,4-tetrazolido)tetrakis(μ~3~-4-chloro-2-{[(1<i>H</i>-tetrazol-1-id-5-yl)imino]methyl}phenolato)di-μ~3~-oxido-pentairon(III) acetonitrile monosolvate monohydrate","","- C44 H45 Cl4 Fe5 N42 O7 -","- C44 H45 Cl4 Fe5 N42 O7 -","- C176 H180 Cl16 Fe20 N168 O28 -","4","1","YO3074","Deng, Qianjun; Wang, Jiming; Li, Guangzhao; Zhang, Shuhua","Synthesis, structure and magnetism of a new ionic pentanuclear iron cluster","Acta Crystallographica Section C","2020","76","7","","","10.1107/S205322962000861X","","","0.71073","MoKα","","0.0765","0.0536","","","0.148","0.1746","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","253553","2020-10-21","18:00:00",""
"2022178","7.1138","0.0004","12.6827","0.0006","15.1613","0.0008","90","","100.571","0.002","90","","1344.67","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","VM2235","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2020","76","8","1173","","10.1107/S2056989020008567","","","0.71073","MoKα","","0.0609","0.0517","","","0.1125","0.1182","","","","","","1.065","","","","has coordinates,has Fobs","253758","2020-10-21","18:00:00",""
"2022179","4.7581","0.0006","18.599","0.002","18.266","0.002","90","","92.409","0.005","90","","1615","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4,4'-(Ethene-1,2-diyl)bis[(<i>N</i>'<i>E</i>)-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide] dimethyl sulfoxide disolvate","","- C34 H36 N4 O6 S2 -","- C34 H36 N4 O6 S2 -","- C68 H72 N8 O12 S4 -","2","0.5","JX3056","Fang, Zong-Bin; Zhang, Bin; Yang, Qi-Zheng; Zheng, Wenxu; Hu, Xiao-Lin; Huang, Xi-He; Huang, Chang-Cang; Zhuang, Nai-Feng; Wu, Shu-Ting","Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620008037","","","0.71073","MoKα","","0.1112","0.0512","","","0.1142","0.1507","","","","","","1.071","","","","has coordinates","254054","2020-10-21","18:00:00",""
"2022180","10.2487","0.0003","16.3033","0.0004","19.7539","0.0007","90","","100.42","0.003","90","","3246.2","0.17","100","2","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(E)-3-benzylidene-2-phenylchroman-4-one","(<i>E</i>)-3-Benzylidene-2-phenylchroman-4-one","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0701","0.0598","","","0.1464","0.1534","","","","","","1.02","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022181","16.6799","0.0005","7.9102","0.0002","13.1511","0.0003","90","","98.558","0.003","90","","1715.85","0.08","100","2","99.99","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Methylbenzylidene)-2-phenylchroman-4-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C92 H72 O8 -","4","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0497","0.0395","","","0.1007","0.1073","","","","","","1.05","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022182","8.9094","0.0003","9.6578","0.0003","10.9044","0.0004","104.378","0.003","109.425","0.003","91.902","0.003","850.24","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(3-Methylbenzylidene)-2-phenylchroman-4-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","","0.71073","MoKα","","0.0451","0.0373","","","0.091","0.0977","","","","","","1.04","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022183","23.4111","0.0003","8.0027","0.0001","28.1094","0.0005","90","","97.156","0.001","90","","5225.33","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(4-Methoxybenzylidene)-2-phenylchroman-4-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C276 H216 O36 -","12","3","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","","1.54184","CuKα","","0.0468","0.038","","","0.0967","0.1037","","","","","","1.011","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022184","7.7718","0.0003","8.6069","0.0003","9.0857","0.0003","89.744","0.003","84.862","0.003","74.199","0.003","582.31","0.04","100","2","100","0.1","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-Benzylidenechroman-4-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0458","0.0402","","","0.109","0.1145","","","","","","1.058","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022185","7.557","0.0003","12.3558","0.0004","14.4044","0.0006","82.748","0.003","87.126","0.003","75.768","0.003","1293.01","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(4-Methoxybenzylidene)chroman-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","1.54184","CuKα","","0.0728","0.0698","","","0.1961","0.2","","","","","","1.087","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022186","18.5318","0.0009","5.9396","0.0003","17.4426","0.001","90","","95.528","0.004","90","","1911","0.17","173","2","173","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","Pigment Red 48 monosodium salt dihydrate","Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate dihydrate","","- C18 H16 Cl N2 Na O8 S -","- C18 H16 Cl N2 Na O8 S -","- C72 H64 Cl4 N8 Na4 O32 S4 -","4","1","","Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian","Two monosodium salt hydrates of Colour Index Pigment Red 48","Acta Crystallographica Section C Structural Chemistry","2020","76","8","","","10.1107/S2053229620008530","","x-ray","0.71073","MoKα","","0.0648","0.0511","","","0.1166","0.1228","","","","","","1.134","","","","has coordinates,has Fobs","254056","2020-10-21","18:00:00",""
"2022187","18.2222","0.0002","5.9486","0.0001","16.9361","0.0002","90","","92.037","0.001","90","","1834.66","0.04","173","2","173","2","","","","","","","Synthesis","7","P 1 21/c 1","-P 2ybc","14","Pigment Red 48 monosodium salt monohydrate","Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate monohydrate","","- C18 H14 Cl N2 Na O7 S -","- C18 H14 Cl N2 Na O7 S -","- C72 H56 Cl4 N8 Na4 O28 S4 -","4","1","","Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian","Two monosodium salt hydrates of Colour Index Pigment Red 48","Acta Crystallographica Section C Structural Chemistry","2020","76","8","","","10.1107/S2053229620008530","","","1.54178","CuKα","","0.0569","0.0542","","","0.1413","0.1454","","","","","","1.093","","","","has coordinates,has Fobs","254056","2020-10-21","18:00:00",""
"2022188","13.368","0.005","11.262","0.005","9.266","0.004","90","","118.83","0.03","90","","1222.1","1","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","Magnesium carbonate chloride heptahydrate","","- C H14 Cl2 Mg2 O10 -","- C H14 Cl2 Mg2 O10 -","- C4 H56 Cl8 Mg8 O40 -","4","1","UK3196","Rincke, Christine; Schmidt, Horst; Buth, Gernot; Voigt, Wolfgang","Crystal structure and characterization of magnesium carbonate chloride heptahydrate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620008153","","","0.8","synchrotron","","0.0748","0.0529","","","0.136","0.1605","","","","","","1.123","","","","has coordinates,has Fobs","254145","2020-10-21","18:00:00",""
"2022189","10.9515","0.0011","11.2204","0.0011","12.287","0.0012","103.223","0.004","100.928","0.004","100.379","0.004","1403.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cerium(III)]","","- C27 H25 Ce N2 O10 -","- C27 H25 Ce N2 O10 -","- C54 H50 Ce2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0518","0.0338","","","0.0654","0.0701","","","","","","1.002","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022190","10.9076","0.0014","11.1726","0.0013","12.3717","0.0016","102.985","0.003","101.259","0.003","100.483","0.003","1400.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)praseodymium(III)]","","- C27 H25 N2 O10 Pr -","- C27 H25 N2 O10 Pr -","- C54 H50 N4 O20 Pr2 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0884","0.0483","","","0.0732","0.0836","","","","","","1.033","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022191","10.8669","0.0014","11.1173","0.0014","12.4442","0.0015","102.564","0.003","101.643","0.003","100.661","0.003","1395.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)neodymium(III)]","","- C27 H25 N2 Nd O10 -","- C27 H25 N2 Nd O10 -","- C54 H50 N4 Nd2 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0822","0.0465","","","0.0708","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022192","10.7827","0.0011","10.9479","0.0011","12.7964","0.0013","100.735","0.004","103.054","0.004","101.521","0.004","1398.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)samarium(III)]","","- C27 H25 N2 O10 Sm -","- C27 H25 N2 O10 Sm -","- C54 H50 N4 O20 Sm2 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0431","0.0339","","","0.0698","0.0753","","","","","","1.182","","","","has coordinates,has disorder,has Fobs","254468","2020-10-21","18:00:00",""
"2022193","10.7597","0.0005","10.9088","0.0005","12.9291","0.0006","100.285","0.002","103.621","0.002","101.711","0.002","1402.73","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III)]","","- C27 H25 Eu N2 O10 -","- C27 H25 Eu N2 O10 -","- C54 H50 Eu2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0304","0.0232","","","0.0482","0.0512","","","","","","1.066","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022194","10.722","0.002","10.87","0.002","12.949","0.003","100.12","0.03","103.89","0.03","101.79","0.03","1393.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)gadolinium(III)]","","- C27 H25 Gd N2 O10 -","- C27 H25 Gd N2 O10 -","- C54 H50 Gd2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0513","0.0366","","","0.0694","0.0749","","","","","","1.164","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022195","15.8623","0.0004","20.7547","0.0006","21.8096","0.0006","90","","107.576","0.002","90","","6844.9","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","Tetrakis(caffeinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","Tetrakis(1,3,7-trimethylxanthinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","","- C32 H50 N16 O51 Si W12 -","- C32 H50 N16 O51 Si W12 -","- C128 H200 N64 O204 Si4 W48 -","4","1","JX3058","Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.","Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000950X","","","0.71073","MoKα","","0.0535","0.0478","","","0.1305","0.1336","","","","","","1.076","","","","has coordinates,has Fobs","254469","2020-10-21","18:00:00",""
"2022196","10.8071","0.0004","23.4412","0.0013","23.6644","0.001","90","","90.72","0.003","90","","5994.5","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tris(theobrominium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate","Tris(3,7-dimethylxanthinium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate","","- C24 H36 N12 O47.5 P W12 -","- C24 H36 N12 O47.5 P W12 -","- C96 H144 N48 O190 P4 W48 -","4","1","JX3058","Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.","Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000950X","","","0.71073","MoKα","","0.0921","0.0507","","","0.1093","0.1234","","","","","","0.927","","","","has coordinates,has Fobs","254469","2020-10-21","18:00:00",""
"2022197","14.1669","0.0005","10.7145","0.0003","17.135","0.0005","90","","98.654","0.001","90","","2571.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,7a'<i>SR</i>)-2'-(4-Chlorophenyl)-1-hexyl-2''-sulfanylidene-5',6',7',7a'-tetrahydro-2'<i>H</i>-dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidine]-2,4''-dione","","- C28 H30 Cl N3 O2 S2 -","- C28 H30 Cl N3 O2 S2 -","- C112 H120 Cl4 N12 O8 S8 -","4","1","KY3198","Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009791","","","0.71073","MoKα","","0.0386","0.0316","","","0.0709","0.0746","","","","","","1.028","","","","has coordinates,has Fobs","254507","2020-10-21","18:00:00",""
"2022198","8.2419","0.0002","28.0429","0.0006","11.5843","0.0003","90","","90","","90","","2677.44","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,7a'<i>SR</i>)-2'-(4-Chlorophenyl)-1-\ benzyl-5-methyl-2''-sulfanylidene-5',6',7',7a'-tetrahydro-2'<i>H</i>-\ dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidine]-2,4''-dione","","- C30 H26 Cl N3 O2 S2 -","- C30 H26 Cl N3 O2 S2 -","- C120 H104 Cl4 N12 O8 S8 -","4","1","KY3198","Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009791","","","0.71073","MoKα","","0.0269","0.0259","","","0.0636","0.0643","","","","","","1.048","","","","has coordinates,has Fobs","254507","2020-10-21","18:00:00",""
"2022199","10.3179","0.0007","10.3179","0.0007","10.3179","0.0007","90","","90","","90","","1098.43","0.13","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium gadolinium hafnium tris(phosphate)","","- Gd Hf K2 O12 P3 -","- Gd Hf K2 O12 P3 -","- Gd4 Hf4 K8 O48 P12 -","4","0.333333","KY3197","Nan, Hua; Chen, Li; Zhang, Rui-Juan; Zhao, Dan","A new langbeinite-type phosphate K~2~GdHf(PO~4~)~3~: synthesis, crystal structure, band structure and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009857","","","0.71073","MoKα","","0.0196","0.018","","","0.03","0.0305","","","","","","1.078","","","","has coordinates,has Fobs","254508","2020-10-21","18:00:00",""
"2022200","9.1209","0.0017","9.6732","0.0019","11.958","0.002","104.763","0.017","100.147","0.015","103.858","0.017","958.4","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-methylbenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclopentane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C38 H44 N8 O6 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0775","0.0417","","","0.0913","0.0949","","","","","","1.004","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022201","9.1304","0.0005","9.9986","0.0006","11.8551","0.0006","107.458","0.005","99.719","0.004","99.414","0.005","990.84","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-methoxybenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclopentane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O4 S -","- C19 H22 N4 O4 S -","- C38 H44 N8 O8 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0671","0.0462","","","0.1116","0.1259","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","254538","2020-10-21","18:00:00",""
"2022202","5.8289","0.0006","18.094","0.0018","9.0173","0.0008","90","","95.799","0.008","90","","946.17","0.16","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 5'-benzoyl-5'<i>H</i>,7'<i>H</i>-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C38 H44 N8 O6 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0629","0.0348","","","0.053","0.0548","","","","","","1.006","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022203","28.5394","0.0014","8.0288","0.0003","9.1435","0.0004","90","","90","","90","","2095.12","0.16","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 5'-(4-methoxybenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C20 H24 N4 O4 S -","- C20 H24 N4 O4 S -","- C80 H96 N16 O16 S4 -","4","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.05","0.0396","","","0.1032","0.1115","","","","","","1.001","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022204","8.0154","0.0003","14.2211","0.0011","15.9349","0.0007","90","","102.337","0.004","90","","1774.44","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6,6-dimethyl-5-(4-methylbenzoyl)-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C17 H20 N4 O3 S -","- C17 H20 N4 O3 S -","- C68 H80 N16 O12 S4 -","4","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0788","0.0452","","","0.098","0.1127","","","","","","1.014","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022205","25.4485","0.0008","8.9445","0.0003","19.0694","0.0007","90","","110.315","0.004","90","","4070.7","0.3","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6-methyl-5-(4-methylbenzoyl)-6-phenyl-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C22 H22 N4 O3 S -","- C22 H22 N4 O3 S -","- C176 H176 N32 O24 S8 -","8","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0443","0.035","","","0.088","0.0942","","","","","","1.02","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022206","9.2791","0.0005","11.1445","0.0008","11.4872","0.0007","65.567","0.007","73.829","0.005","73.034","0.006","1017.32","0.13","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-benzoyl-6-(4-methoxyphenyl)-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C21 H20 N4 O4 S -","- C21 H20 N4 O4 S -","- C42 H40 N8 O8 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0831","0.049","","","0.1127","0.1336","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","254538","2020-10-21","18:00:00",""
"2022207","16.0881","0.0015","7.1958","0.0008","23.177","0.003","90","","108.838","0.004","90","","2539.4","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C104 H104 F8 N16 O24 -","8","1","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0759","0.0463","","","0.103","0.1145","","","","","","1.021","","","","has coordinates,has Fobs","254539","2020-10-21","18:00:00",""
"2022208","16.207","0.0007","9.1642","0.0004","17.963","0.0007","90","","91.607","0.002","90","","2666.89","0.19","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate carbon tetrachloride 0.25-solvate","","- C53 H52 Cl4 F4 N8 O12 -","- C53 H52 Cl4 F4 N8 O12 -","- C106 H104 Cl8 F8 N16 O24 -","2","0.5","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0853","0.0674","","","0.2031","0.2424","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","254539","2020-10-21","18:00:00",""
"2022209","7.3353","0.0002","8.9091","0.0002","12.5006","0.0004","82.389","0.002","79.38","0.002","65.898","0.002","731.44","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ethyl acetate hemisolvate","","- C15 H17 F N2 O4 -","- C15 H17 F N2 O4 -","- C30 H34 F2 N4 O8 -","2","1","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0716","0.0526","","","0.1282","0.1413","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","254539","2020-10-21","18:00:00",""
"2022210","10.9586","0.0006","10.2679","0.0006","12.9392","0.0008","90","","93.624","0.003","90","","1453.03","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide","","- C15 H11 I N2 O2 S -","- C15 H11 I N2 O2 S -","- C60 H44 I4 N8 O8 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.0563","0.0444","","","0.139","0.1498","","","","","","1.032","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022211","10.048","0.002","13.802","0.003","10.543","0.002","90","","90.487","0.01","90","","1462.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline","2-(2'-Nitrobenzenesulfonyl)-1,3,4-trihydroisoquinoline","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.04","0.0337","","","0.0917","0.0992","","","","","","1.053","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022212","10.3376","0.0005","12.6151","0.0005","10.885","0.0005","90","","96.59","0.002","90","","1410.13","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(2-Aminobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline","2-(2'-Aminobenzenesulfonyl)-1,3,4-trihydroisoquinoline","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.0462","0.035","","","0.0947","0.1029","","","","","","1.068","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022213","18.962","0.002","5.9225","0.0007","11.6649","0.0015","90","","127.027","0.001","90","","1045.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride","","- C5 H10 Cl2 N8 -","- C5 H10 Cl2 N8 -","- C20 H40 Cl8 N32 -","4","0.5","QS3092","Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009924","","","0.71073","MoKα","","0.0271","0.0257","","","0.071","0.0723","","","","","","1.103","","","","has coordinates,has Fobs","254580","2020-10-21","18:00:00",""
"2022214","8.4476","0.001","8.5662","0.0008","8.6125","0.0008","110.812","0.009","115.048","0.011","92.854","0.009","512.82","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C20 H22 N10 O2 -","2","1","KU3265","Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620010414","","","0.71073","MoKα","","0.0679","0.0529","","","0.1455","0.1637","","","","","","1.056","","","","has coordinates,has Fobs","254703","2020-10-21","18:00:00",""
"2022215","4.824","0.0011","8.2685","0.0019","26.527","0.01","90","","90","","90","","1058.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C40 H44 N20 O4 -","4","1","KU3265","Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620010414","","","0.71073","MoKα","","0.0909","0.0512","","","0.0997","0.1194","","","","","","0.99","","","","has coordinates,has Fobs","254703","2020-10-21","18:00:00",""
"2022216","11.588","0.008","11.995","0.008","20.431","0.012","80.65","0.03","89.97","0.02","89.99","0.04","2802","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3^)(μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)zinc(II)] dimethylformamide monosolvate]","","- C29 H27 N5 O5 Zn -","- C29 H27 N5 O5 Zn -","- C116 H108 N20 O20 Zn4 -","4","2","QS3094","Chen, Ning-Ning; Zhang, Chen; Tao, Jian-Qing","A twofold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001058X","","","0.71073","MoKα","","0.0548","0.0403","","","0.1067","0.1125","","","","","","1.064","","","","has coordinates,has Fobs","254856","2020-10-21","18:00:00",""
"2022217","12.5006","0.001","12.7609","0.001","15.0775","0.0016","84.538","0.008","86.265","0.007","85.919","0.007","2384","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium bis[6,6'-bis(tetrazol-1-id-5-yl)-2,2'-bipyridine]iron(III) methanol hemisolvate dihydrate","","- C40.5 H54 Fe N21 O2.5 -","- C40.5 H54 Fe N21 O2.5 -","- C81 H108 Fe2 N42 O5 -","2","1","LF3118","Hao, Xiaoyun; Cao, Tong; Dou, Yong; Yang, Lu; Zhou, Zhen; Zhang, Daopeng; Hao, Hongguo","A rare octacoordinated mononuclear iron(III) spin-crossover compound: synthesis, crystal structure and magnetic properties","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010451","","","0.71073","MoKα","","0.0994","0.0685","","","0.1664","0.1905","","","","","","1.069","","","","has coordinates,has Fobs","254857","2020-10-21","18:00:00",""
"2022218","9.72506","0.00016","13.58223","0.00015","10.4099","0.00017","90","","116.071","0.002","90","","1235.11","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrapropylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane","","- C20 H40 B N5 O8 -","- C20 H40 B N5 O8 -","- C40 H80 B2 N10 O16 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0252","0.0241","","","0.0597","0.0603","","","","","","1.035","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022219","10.40272","0.00013","17.5277","0.0003","30.9259","0.0004","90","","90","","90","","5638.9","0.14","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetraethylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane 6.375-hydrate","","- C16 H44.75 B N5 O14.375 -","- C16 H44.75 B N5 O14.375 -","- C128 H358 B8 N40 O115 -","8","2","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0352","0.032","","","0.08","0.0819","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022220","11.49802","0.00016","10.19256","0.0001","14.65365","0.00018","90","","107.916","0.0014","90","","1634.05","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrabutylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate hemihydrate","","- C26 H55 B N5 O9.5 -","- C26 H55 B N5 O9.5 -","- C52 H110 B2 N10 O19 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0304","0.0283","","","0.0705","0.0715","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022221","10.41666","0.00015","15.3809","0.0002","18.0053","0.0003","90","","90","","90","","2884.77","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sparteinium spiroborate ethanol monosolvate","7-Aza-15-azoniatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate","","- C25 H45 B N6 O9 -","- C25 H45 B N6 O9 -","- C100 H180 B4 N24 O36 -","4","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0276","0.0258","","","0.0669","0.0678","","","","","","1.038","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022222","10.2725","0.0004","12.254","0.0006","12.7472","0.0006","109.923","0.002","105.202","0.002","94.953","0.002","1428.23","0.12","103.58","","103.58","","","","","","","","","6","P -1","-P 1","2","","{10,20-Bis[2,6-bis(octyloxy)phenyl]-5,15-dibromoporphinato}copper(II)","","- C64 H82 Br2 Cu N4 O4 -","- C64 H82 Br2 Cu N4 O4 -","- C64 H82 Br2 Cu N4 O4 -","1","0.5","YP3204","Nalaoh, Phattananawee; Bureekaew, Sareeya; Promarak, Vinich; Lindsey, Jonathan S.","Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π‒π stacking in a compact supramolecular package","Acta Crystallographica Section C","2020","76","7","647","654","10.1107/S2053229620007172","","x-ray","0.71073","MoKα","","0.0658","0.0397","","","0.0765","0.0848","","","","","","1.0405","","","","has coordinates,has Fobs","255157","2020-10-21","18:00:00",""
"2022223","10.66","0.002","12.24","0.002","14.649","0.003","109.48","0.03","107.32","0.03","98.87","0.03","1650.6","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquatris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]bis[μ~6~-4-(2,4-dicarboxylatophenoxy)phthalato]tetracobalt(II)] hexahydrate]","","- C68 H58 Co4 N12 O26 -","- C68 H58 Co4 N12 O26 -","- C68 H58 Co4 N12 O26 -","1","0.5","DG3008","Li, Shao-Dong; Su, Feng; Zhu, Miao-Li; Lu, Li-Ping","A novel three-dimensional tetranuclear Co^II^ coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010633","","","0.71073","MoKα","","0.0496","0.0365","","","0.0866","0.0927","","","","","","1.005","","","","has coordinates,has Fobs","255205","2020-10-21","18:00:00",""
"2022224","6.756","0.004","13.108","0.008","6.385","0.004","90","","90","","90","","565.4","0.6","200","","200","","","","","","","","","3","I b a m","-I 2 2c","72","","Dibarium zinc diphosphide","","- Ba2 P2 Zn -","- Ba2 P2 Zn -","- Ba8 P8 Zn4 -","4","0.25","OV3142","Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen","Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010827","","","0.71073","MoKα","","0.0216","0.0177","","","0.0357","0.0366","","","","","","1.039","","","","has coordinates,has Fobs","255237","2020-10-21","18:00:00",""
"2022225","8.2595","0.0004","6.4279","0.0003","31.9064","0.0014","90","","93.674","0.002","90","","1690.47","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-2-methyl-4-(4-methoxystyryl)quinoline","(<i>E</i>)-3-Acetyl-4-[2-(4-methoxyphenyl)ethenyl]-2-methylquinoline","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0504","0.0401","","","0.1","0.1106","","","","","","1.059","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022226","8.0849","0.0003","6.6692","0.0002","31.1063","0.001","90","","95.005","0.001","90","","1670.85","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-4-(4-bromostyryl)-2-methylquinoline","(<i>E</i>)-3-Acetyl-4-[2-(4-bromophenyl)ethenyl]-2-methylquinoline","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C80 H64 Br4 N4 O4 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0345","0.0296","","","0.0704","0.0734","","","","","","1.027","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022227","8.0822","0.0004","6.6567","0.0004","32.1024","0.0017","90","","90.576","0.002","90","","1727.05","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-2-methyl-4-[4-(trifluoromethyl)styryl]quinoline","(<i>E</i>)-3-Acetyl-2-methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline","","- C21 H16 F3 N O -","- C21 H16 F3 N O -","- C84 H64 F12 N4 O4 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0501","0.0413","","","0.0959","0.1008","","","","","","1.04","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022228","9.5301","0.0008","10.3513","0.0008","10.3621","0.0008","65.374","0.003","86.583","0.003","76.376","0.003","902.23","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Ethyl (<i>E</i>)-2-methyl-4-(4-methoxystyryl)quinoline-3-carboxylate","Ethyl (<i>E</i>)-4-[2-(4-methoxyphenyl)ethenyl]-2-methylquinoline-3-carboxylate","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0641","0.052","","","0.12","0.1278","","","","","","1.068","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022229","9.5709","0.0006","10.6119","0.0007","18.2074","0.001","90","","90.939","0.002","90","","1849","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ethyl (<i>E</i>)-4-(4-bromostyryl)-2-methylquinoline-3-carboxylate","Ethyl (<i>E</i>)-4-[2-(4-bromophenyl)ethenyl]-2-methylquinoline-3-carboxylate","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C84 H72 Br4 N4 O8 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0277","0.0223","","","0.0532","0.0558","","","","","","1.021","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022230","8.7465","0.001","9.9436","0.0011","11.1116","0.0011","105.446","0.004","99.763","0.004","97.204","0.004","903.08","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ethyl (<i>E</i>)-2-methyl-4-[4-(trifluoromethyl)styryl]quinoline-3-carboxylate","Ethyl (<i>E</i>)-2-methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline-3-carboxylate","","- C22 H18 F3 N O2 -","- C22 H18 F3 N O2 -","- C44 H36 F6 N2 O4 -","2","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0571","0.0439","","","0.106","0.1204","","","","","","1.053","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022231","13.273","0.0016","14.8012","0.0016","20.137","0.002","90","","90","","90","","3956","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-benzoyl-2-methyl-4-(3-methylstyryl)quinoline","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.144","0.1172","","","0.1909","0.2005","","","","","","1.303","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022232","10.8168","0.0006","17.3361","0.001","12.8892","0.0006","90","","114.132","0.002","90","","2205.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-Methyl-4-((E)-4-methylstyryl)quinolin-3-yl)-3- phenyl-prop-2-en-1-one","","- C28 H23 N O -","- C28 H23 N O -","- C112 H92 N4 O4 -","4","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0547","0.0439","","","0.1043","0.1103","","","","","","1.015","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022233","3.8598","0.0004","11.7229","0.001","27.679","0.002","90","","93.255","0.009","90","","1250.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-fluorophenyl)methanone","","- C15 H8 Br F O3 -","- C15 H8 Br F O3 -","- C60 H32 Br4 F4 O12 -","4","1","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0699","0.0452","","","0.0883","0.0972","","","","","","1.074","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022234","26.4034","0.001","3.9818","0.0001","26.2773","0.001","90","","104.605","0.004","90","","2673.35","0.17","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-chlorophenyl)methanone","","- C15 H8 Br Cl O3 -","- C15 H8 Br Cl O3 -","- C120 H64 Br8 Cl8 O24 -","8","2","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.1049","0.0516","","","0.0856","0.1016","","","","","","1.012","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022235","7.0725","0.0004","7.0884","0.0005","14.6069","0.0008","92.23","0.005","103.091","0.005","101.219","0.006","696.98","0.08","294","2","294.15","","","","","","","","","4","P -1","-P 1","2","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-bromophenyl)methanone","","- C15 H8 Br2 O3 -","- C15 H8 Br2 O3 -","- C30 H16 Br4 O6 -","2","1","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0798","0.0462","","","0.0959","0.1093","","","","","","1.035","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022236","26.4214","0.0008","4.76309","0.00013","46.6213","0.0014","90","","106.034","0.003","90","","5638.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(4-Bromophenyl)(3-hydroxy-5-iodobenzofuran-2-yl)methanone","","- C15 H8 Br I O3 -","- C15 H8 Br I O3 -","- C240 H128 Br16 I16 O48 -","16","2","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0653","0.0481","","","0.1132","0.1231","","","","","","1.067","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022237","5.4364","0.001","5.6202","0.0011","15.844","0.003","83.623","0.003","87.617","0.003","86.146","0.003","479.72","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate","","- C5 H12 N10 O -","- C5 H12 N10 O -","- C10 H24 N20 O2 -","2","1","QS3093","Yan, Biao; Li, Hongya; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011080","","","0.71073","MoKα","","0.039","0.0351","","","0.0877","0.0915","","","","","","1.035","","","","has coordinates,has Fobs","255340","2020-10-21","18:00:00",""
"2022238","17.6719","0.0008","25.7296","0.0012","6.8887","0.0003","90","","90","","90","","3132.2","0.2","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","7-Nitro-2-(piperidine-1-carbonyl)-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one 1-oxide","","- C14 H12 F3 N3 O5 S -","- C14 H12 F3 N3 O5 S -","- C112 H96 F24 N24 O40 S8 -","8","1","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0983","0.0591","","","0.1292","0.1703","","","","","","1.083","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022239","8.8165","0.0002","16.1649","0.0004","13.4246","0.0003","90","","90.0022","0.0012","90","","1913.25","0.08","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(<i>S</i>)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl]-7-nitro-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one 1-oxide","","- C17 H16 F3 N3 O7 S -","- C17 H16 F3 N3 O7 S -","- C68 H64 F12 N12 O28 S4 -","4","2","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0348","0.0328","","","0.0807","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022240","14.5681","0.0006","19.477","0.0008","17.8029","0.0007","90","","109.21","0.001","90","","4770.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridine)di-μ~3~-hydroxido-hexakis(μ-2-propylpentanoato)bis(2-propylpentanoato)pentazinc(II)","","- C84 H138 N4 O18 Zn5 -","- C84 H138 N4 O18 Zn5 -","- C168 H276 N8 O36 Zn10 -","2","0.5","VP3007","Abu Ali, Hijazi; Darawsheh, Mohanad","Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011262","","","0.71073","MoKα","","0.0688","0.0495","","","0.1252","0.1366","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","255585","2020-10-21","18:00:00",""
"2022241","15.3595","0.001","24.8498","0.0016","16.6739","0.0011","90","","106.631","0.001","90","","6097.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ-4,4'-bipyridine)di-μ~3~-hydroxido-octakis(μ-2-propylpentanoato)bis(2-propylpentanoato)hexazinc(II)] dimethylformamide disolvate]","","- C106 H182 N6 O24 Zn6 -","- C106 H182 N6 O24 Zn6 -","- C212 H364 N12 O48 Zn12 -","2","0.5","VP3007","Abu Ali, Hijazi; Darawsheh, Mohanad","Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011262","","","0.71073","MoKα","","0.0558","0.0422","","","0.0988","0.1053","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255585","2020-10-21","18:00:00",""
"2022242","26.26089","0.00017","12.39989","0.00008","29.17764","0.00019","90","","90","","90","","9501.18","0.11","149.7","0.8","149.7","0.8","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C432 H416 B8 Co8 N56 S16 -","8","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0403","0.0356","","","0.0893","0.092","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022243","11.69503","0.0001","15.27162","0.00013","15.43643","0.00016","117.441","0.0009","100.791","0.0008","94.2199","0.0007","2362.76","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C108 H104 B2 Co2 N14 S4 -","2","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0364","0.0348","","","0.0918","0.0928","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022244","7.366","0.0004","12.8932","0.0006","14.9661","0.0007","90","","90","","90","","1421.35","0.12","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>S</i>,5<i>R</i>,8a<i>R</i>,9a<i>S</i>)-9a-Hydroxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-<i>b</i>]furan-2,8-dione","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","YP3206","Arancibia, Luz; Naspi, Mariana; Pucci, Graciela; Rodriguez, Maricel; Di Salvo, Florencia","Revisiting the absolute chirality and polymorphism of (‒)-Istanbulin A","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011493","","x-ray","1.54184","CuKα","","0.0719","0.0519","","","0.1252","0.1505","","","","","","1.08","","","","has coordinates,has Fobs","255739","2020-10-21","18:00:00",""
"2022245","4.5999","0.0005","10.2684","0.001","18.711","0.002","90","","90","","90","","883.79","0.16","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(Isoxazol-3-yl)imino]methyl}phenol","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","x-ray","0.71073","MoKα","","0.0378","0.0321","","","0.0798","0.0831","","","","","","1.078","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022246","20.5584","0.0007","10.0468","0.0004","4.6417","0.0002","90","","90","","90","","958.73","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(salicylidene)-3-amino-5-methyl-isoxazole","(<i>E</i>)-2-{[(5-Methylisoxazol-3-yl)imino]methyl}phenol","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","","0.71073","MoKα","","0.0428","0.0365","","","0.0775","0.0808","","","","","","1.05","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022247","10.8955","0.0005","10.9571","0.0004","14.8329","0.0006","82.335","0.003","88.326","0.004","75.178","0.003","1696.56","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","N-(3,5-ditertbutylsalicylidene)-3-aminoisoxazole","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(isoxazol-3-yl)imino]methyl}phenol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","2","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","","0.71073","MoKα","","0.0744","0.0492","","","0.105","0.1192","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","255750","2020-10-21","18:00:00",""
"2022248","13.337","0.004","13.337","","13.337","","90","","90","","90","","2372.3","0.7","200","2","200","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi In0.14 Li2.56 -","- Bi In0.14425 Li2.56325 -","- Bi32 In4.616 Li82.024 -","32","0.166667","FN3334","Ovchinnikov, Alexander; Bobev, Svilen","Electronic stabilization by occupational disorder in the ternary bismuthide Li~3 -~ <i>~x~</i>~-~<i>~y~</i>In<i>~x~</i>Bi (<i>x</i> ≃0.14, <i>y</i> ≃0.29)","Acta Crystallographica, Section C","2020","76","6","585","590","10.1107/S2053229620006439","","","0.71073","MoKα","","0.0345","0.024","","","0.0495","0.0534","","","","","","1.063","","","","has coordinates","256206","2020-10-21","18:00:00",""
"2022249","7.9269","0.0006","11.3939","0.0008","13.6589","0.0008","78.61","0.005","81.339","0.006","70.031","0.006","1132.01","0.14","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'){μ-4-[(4-carboxybenzyloxy)methyl]benzoato-κ<i>O</i>}silver(I)](<i>Ag</i>—<i>Ag</i>)","","- C26 H21 Ag N2 O5 -","- C26 H21 Ag N2 O5 -","- C52 H42 Ag2 N4 O10 -","2","1","DG3009","Chen, Zhao; Zhang, Zilong; Zhang, Chong; Xiao, Yu","A new ladder-type silver(I) coordination polymer with 4,4'-bipyridine and 4-[(4-carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface analysis","Acta Crystallographica Section C","2020","76","10","952","957","10.1107/S2053229620011882","","","0.71073","MoKα","","0.0979","0.0512","","","0.0898","0.1151","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","259026","2020-11-06","23:56:04",""
"2022250","9.9167","0.0005","6.9587","0.0005","23.2803","0.0015","90","","96.988","0.006","90","","1594.58","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Combretastatin A-4","2-Methoxy-5-[(<i>E</i>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","VP3009","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej","Two new polymorphic forms of combretastatin A-4, an antitumour agent","Acta Crystallographica Section C","2020","76","10","958","964","10.1107/S205322962001236X","","x-ray","0.71073","MoKα","","0.0978","0.0471","","","0.0869","0.1075","","","","","","0.998","","","","has coordinates,has Fobs","259025","2020-11-06","23:55:56",""
"2022251","25.9293","0.0007","8.8657","0.0003","14.3503","0.0005","90","","90","","90","","3298.87","0.18","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Combretastatin A-4","2-Methoxy-5-[(<i>E</i>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","2","VP3009","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej","Two new polymorphic forms of combretastatin A-4, an antitumour agent","Acta Crystallographica Section C","2020","76","10","958","964","10.1107/S205322962001236X","","x-ray","0.71073","MoKα","","0.0517","0.0381","","","0.0857","0.0929","","","","","","1.042","","","","has coordinates,has Fobs","259025","2020-11-06","23:55:56",""
"2022252","7.7416","0.0016","8.9487","0.0018","17.168","0.003","90","","90","","90","","1189.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methylenebis(5-amino-1,2,4-triazol-4-ium) dinitrate","","- C5 H10 N10 O6 -","- C5 H10 N10 O6 -","- C20 H40 N40 O24 -","4","0.5","WP3010","Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate","Acta Crystallographica Section C","2020","76","10","965","971","10.1107/S2053229620012516","","","0.71073","MoKα","","0.0435","0.0359","","","0.0964","0.1029","","","","","","1.035","","","","has coordinates,has Fobs","259027","2020-11-06","23:56:11",""
"2022253","21.2141","0.0009","5.537","0.0003","15.3045","0.0008","90","","90.31","0.002","90","","1797.68","0.16","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Poly[di-μ-aqua-diaqua(μ~4~-azobenzene-3,3'-disulfonato)disodium(I)]","Poly[di-μ-aqua-diaqua[μ~4~-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]disodium(I)]","","- C12 H16 N2 Na2 O10 S2 -","- C12 H16 N2 Na2 O10 S2 -","- C48 H64 N8 Na8 O40 S8 -","4","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0599","0.0379","","","0.0824","0.0904","","","","","","1.039","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022254","6.3875","0.0002","6.747","0.0002","11.303","0.0005","94.289","0.002","103.16","0.002","108.456","0.002","444.21","0.03","123","2","123","2","","","","","","","","6","P -1","-P 1","2","<i>catena</i>-Poly[[tetraaquacalcium(II)]-μ-azobenzene-3,3'-disulfonato]","<i>catena</i>-Poly[[tetraaquacalcium(II)]-μ-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]","","- C12 H16 Ca N2 O10 S2 -","- C12 H16 Ca N2 O10 S2 -","- C12 H16 Ca N2 O10 S2 -","1","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0344","0.027","","","0.0654","0.0695","","","","","","1.05","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022255","13.9454","0.0018","19.517","0.003","6.9014","0.0009","90","","93.838","0.002","90","","1874.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaquacalcium(II)]-μ-2-(4-amino-3-sulfonatophenyl)-\ 1-(4-sulfonatophenyl)diazenium] dihydrate]","","- C12 H18 N3 Na O10 S2 -","- C12 H18 N3 Na O10 S2 -","- C48 H72 N12 Na4 O40 S8 -","4","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.6775","synchrotron","","0.0559","0.0397","","","0.0994","0.1073","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","259028","2020-11-06","23:56:24",""
"2022256","36.896","0.003","6.7806","0.0004","17.914","0.0012","90","","111.178","0.009","90","","4179","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexaaquamagnesium bis{2-(4-amino-3-sulfonatophenyl)-1-(4-sulfonatophenyl)diazenium} octahydrate","","- C24 H48 Mg N6 O26 S4 -","- C24 H47.9988 Mg N6 O26 S4 -","- C96 H191.995 Mg4 N24 O104 S16 -","4","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","1.5418","CuKα","","0.0645","0.0503","","","0.1281","0.1429","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","259028","2020-11-06","23:56:24",""
"2022257","7.1293","0.0004","18.8368","0.0011","34.752","0.002","90","","90","","90","","4667","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Poly[(μ~2~-4-amino-2-methyl-5-methoxyazobenzene-2',4'-disulfonato)di-μ-aqua-diaquabarium(II)] dihydrate]","Poly[[{μ~2~-4-[2-(4-amino-2-methyl-5-methoxyphenyl)diazen-1-yl]benzene-1,3-disulfonato}di-μ-aqua-diaquabarium(II)] dihydrate]","","- C14 H25 Ba N3 O13 S2 -","- C14 H25 Ba N3 O13 S2 -","- C112 H200 Ba8 N24 O104 S16 -","8","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0621","0.042","","","0.0877","0.0957","","","","","","1.146","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022258","12.3766","0.0003","10.7745","0.0002","9.205","0.0002","90","","104.777","0.002","90","","1186.9","0.05","130","1","130","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-Disulfanediylbis(pyrimidine-4,6-diamine)","","- C8 H10 N8 S2 -","- C8 H10 N8 S2 -","- C32 H40 N32 S8 -","4","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.059","0.0591","","","","","","1.073","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022259","36.9868","0.001","15.5842","0.0004","4.2131","0.0001","90","","90","","90","","2428.47","0.11","130","1","130","1","","","","","","","","4","F d d 2","F 2 -2d","43","","2,2'-[Methanediylbis(sulfanediyl)]bis(pyrimidine-4,6-diamine)","","- C9 H12 N8 S2 -","- C9 H12 N8 S2 -","- C72 H96 N64 S16 -","8","0.5","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0232","0.0228","","","0.062","0.0622","","","","","","1.057","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022260","8.6783","0.0004","9.1691","0.0006","11.4391","0.0006","90","","97.846","0.004","90","","901.71","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Methoxymethyl)sulfanyl]pyrimidine-4,6-diamine","","- C6 H10 N4 O S -","- C6 H10 N4 O S -","- C24 H40 N16 O4 S4 -","4","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","","0.71073","MoKα","","0.0754","0.0501","","","0.1133","0.1314","","","","","","1.028","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022261","6.9631","0.0008","8.035","0.001","8.0886","0.001","103.021","0.01","111.568","0.011","106.007","0.01","376.56","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[(μ-4,6-diaminopyrimidine-2-sulfinato)potassium(I)]","","- C4 H5 K N4 O2 S -","- C4 H5 K N4 O2 S -","- C8 H10 K2 N8 O4 S2 -","2","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","0.71073","MoKα","","0.0388","0.0329","","","0.0852","0.0896","","","","","","1.081","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022262","7.4469","0.0002","27.9271","0.0011","14.3092","0.0005","90","","90","","90","","2975.89","0.18","147","2","147","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Dichlorido[(<i>E</i>)-4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline]platinum(II) acetonitrile hemisolvate","","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C104 H84 Cl16 N28 O16 Pt8 -","8","1","DV3003","Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J.","Platinum(II) complex with 4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity","Acta Crystallographica Section C","2020","76","11","","","10.1107/S205322962001308X","","","0.71073","MoKα","","0.0598","0.0394","","","0.0622","0.0687","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","258296","2020-10-21","18:00:00",""
"2022263","9.0047","0.0008","16.5608","0.0017","19.4709","0.0018","90","","107.493","0.004","90","","2769.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~2~-heptanedioato)cadmium(II)] tetrahydrate]","","- C25 H36 Cd N4 O8 -","- C25 H36 Cd N4 O8 -","- C100 H144 Cd4 N16 O32 -","4","1","SK3754","Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin","Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013698","","","0.71073","MoKα","","0.0801","0.0512","","","0.0812","0.0915","","","","","","1.106","","","","has coordinates,has Fobs","258572","2020-10-23","04:34:42",""
"2022264","8.2423","0.0006","10.6568","0.0007","12.4175","0.001","105.466","0.004","92.7","0.004","103.416","0.004","1015.6","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~4~-decanedioato)(2̃~-decanedioato)dicadmium(II)]","","- C19 H27 Cd N2 O5 -","- C19 H27 Cd N2 O5 -","- C38 H54 Cd2 N4 O10 -","2","1","SK3754","Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin","Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013698","","","0.71073","MoKα","","0.0575","0.0384","","","0.0805","0.0879","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","258572","2020-10-23","04:34:44",""
"2022265","11.1584","0.0008","13.6425","0.0014","36.061","0.004","90","","90","","90","","5489.5","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bedaquline","1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)- 2-(naphthalen-1-yl)-1-phenylbutan-2-ol","","- C32 H31 Br N2 O2 -","- C32 H31 Br N2 O2 -","- C256 H248 Br8 N16 O16 -","8","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0836","0.0441","","","0.0985","0.1111","","","","","","1.027","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:22",""
"2022266","16.4556","0.0006","10.3205","0.0003","20.1636","0.0008","90","","109.183","0.0015","90","","3234.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium 3-carboxyprop-2-enoate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0664","0.0431","","","0.1067","0.1174","","","","","","1.057","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:26",""
"2022267","4.3606","0.0006","10.82","0.002","29.886","0.011","90","","90","","90","","1410.1","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzyl-6-bromo-2-methoxyquinoline","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0314","0.0234","","","0.054","0.0565","","","","","","1.051","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:27",""
"2022268","12.6384","0.0005","7.9259","0.0003","17.5249","0.0008","90","","99.845","0.0017","90","","1729.63","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate 1.166-hydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate hydrate","","- C39 H39.34 Br N2 O5.17 -","- C39 H39.332 Br N2 O5.166 -","- C78 H78.664 Br2 N4 O10.332 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0509","0.0318","","","0.0671","0.0725","","","","","","1.025","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:29",""
"2022269","12.8661","0.0008","8.0386","0.0005","17.4704","0.001","90","","101.093","0.003","90","","1773.12","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate acetonitrile 0.742-solvate monohydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate acetonitrile 0.742-solvate monohydrate","","- C40.48 H41.23 Br N2.74 O5 -","- C40.484 H41.226 Br N2.742 O5 -","- C80.968 H82.452 Br2 N5.484 O10 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","1.54178","CuKα","","0.0398","0.0347","","","0.0808","0.0847","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","258573","2020-10-23","04:36:31",""
"2022270","3.96521","0.00009","16.7005","0.0004","12.4252","0.0002","90","","91.185","0.002","90","","822.63","0.03","100","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-(2,4-Dichlorophenyl)- 3-[4-(morpholin-4-yl)phenyl]prop-2-en-1-one","","- C19 H17 Cl2 N O2 -","- C19 H17 Cl2 N O2 -","- C38 H34 Cl4 N2 O4 -","2","1","KY3199","Alsafi, Mona A.; Hughes, David L.; Said, Musa A.","First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study","Acta Crystallographica Section C Structural Chemistry","2020","76","12","","","10.1107/S2053229620014217","","x-ray","1.54184","CuKα","","0.0239","0.0237","","","0.0643","0.0644","","","","","","1.07","","","","has coordinates,has Fobs","258773","2020-11-06","05:08:35",""
"2022271","6.9363","0.0003","15.9791","0.0007","16.9786","0.0007","90.844","0.001","93.106","0.001","98.296","0.002","1858.93","0.14","109","2","109","2","","","","","","","","5","P -1","-P 1","2","HL-I-193-B-1","Poly[[undecaaquabis(μ-4,5-dioxo-4,5-dihydro-1<i>H</i>-pyrrolo[2,3-<i>f</i>]quinoline-2,7,9-tricarboxylato)tricalcium(II)] dihydrate]","","- C28 H32 Ca3 N4 O29 -","- C28 H32 Ca3 N4 O29 -","- C56 H64 Ca6 N8 O58 -","2","1","YO3076","Lumpe, Henning; Mayer, Peter; Daumann, Lena J.","Crystal structure of a calcium(II)‒pyrroloquinoline quinone (PQQ) complex outside a protein environment","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014278","","","0.71073","MoKα","","0.0389","0.0306","","","0.0683","0.0717","","","","","","1.04","","","","has coordinates,has Fobs","258774","2020-11-06","05:09:11",""
"2022272","8.6186","0.0007","12.25","0.001","13.5681","0.0011","90","","90","","90","","1432.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trichloridobis(diethyl ether)oxidomolybdenum(V)","","- C8 H20 Cl3 Mo O3 -","- C8 H20 Cl3 Mo O3 -","- C32 H80 Cl12 Mo4 O12 -","4","1","EF3009","Shaw, Thomas E.; LeMagueres, Pierre; Sattelberger, Alfred P.; Jurca, Titel","Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)","Acta Crystallographica Section C","2020","76","10","947","951","10.1107/S2053229620011626","","","0.71073","MoKα","","0.0362","0.0327","","","0.0678","0.0692","","","","","","1.009","","","","has coordinates,has Fobs","259015","2020-11-06","22:58:30",""
"2022273","11.071","0.002","18.892","0.004","13.115","0.003","90","","123.29","0.03","90","","2292.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Z‒Gly‒Aib‒Gly‒Aib‒OH","<i>N</i>-(Benzoyloxycarbonyl)glycyl-α-aminoisobutyrylglycyl-α-aminoisobutyric acid","","- C20 H30 N4 O8 -","- C20 H30 N4 O8 -","- C80 H120 N16 O32 -","4","1","KU3268","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Removing the C-terminal protecting group enlarges the crystal size: Z‒(Gly‒Aib)~2~‒OH·H~2~O","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014254","","","1.54181","CuKα","","0.0394","0.0387","","","0.0998","0.1005","","","","","","1.041","","","","has coordinates,has Fobs","259056","2020-11-10","05:01:57",""
"2022274","19.3159","0.0008","15.0183","0.0005","19.6537","0.001","90","","90","","90","","5701.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","Mo6O19.H2TCPP.5H2O","5,10,15,20-Tetrakis(4-carboxyphenyl)-21<i>H</i>,22<i>H</i>,23<i>H</i>, \24<i>H</i>-porphine(2+) hexamolybdate(VI) pentahydrate","","- C48 H42 Mo6 N4 O32 -","- C48 H41 Mo6 N4 O32 -","- C192 H164 Mo24 N16 O128 -","4","0.5","ZO3009","Chen, Wen-Tong","Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014461","","","0.71073","MoKα","","0.2046","0.0922","","","0.1374","0.1748","","","","","","1.007","","","","has coordinates,has Fobs","259057","2020-11-10","05:02:31",""
"2022275","11.0556","0.001","9.5218","0.0009","18.2923","0.0017","90","","100.732","0.003","90","","1891.9","0.3","298","2","298.42","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[μ-bis(pyridin-4-yl)amine-κ^2^<i>N</i>:<i>N</i>'](μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)zinc(II)] 0.5-hydrate]","","- C22 H16 N3 O4.5 Zn -","- C22 H16 N3 O4.5 Zn -","- C88 H64 N12 O18 Zn4 -","4","1","QF3043","Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun","Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620015260","","","0.71073","MoKα","","0.0306","0.0252","","","0.0608","0.0629","","","","","","1.079","","","","has coordinates,has Fobs","259241","2020-11-25","05:09:51",""
"2022276","11.0642","0.0004","11.1234","0.0004","11.6697","0.0004","61.912","0.001","86.182","0.001","80.602","0.001","1249.97","0.08","150","2","149.94","","","","","","","","","5","P -1","-P 1","2","","Poly[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)hemi(μ-naphthalene-2,6-\# dicarboxylic acid-κ^2^<i>O</i>^2^:<i>O</i>^6^)copper(II)]","","- C30 H22 Cu N2 O6 -","- C30 H22 Cu N2 O6 -","- C60 H44 Cu2 N4 O12 -","2","1","QF3043","Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun","Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620015260","","","0.71073","MoKα","","0.0352","0.0262","","","0.063","0.0646","","","","","","0.789","","","","has coordinates,has disorder,has Fobs","259241","2020-11-25","05:09:53",""
"2022277","13.574","0.003","13.829","0.003","14.657","0.003","79.013","0.006","87.544","0.009","83.381","0.008","2682.3","1","193.4","","193.4","","","","","","","","","3","P -1","-P 1","2","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis[3,4,5-tris(benzyloxy)benzoate]","","- C66 H56 O10 -","- C66 H56 O10 -","- C132 H112 O20 -","2","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","x-ray","0.71075","MoKα","","0.0961","0.0559","","","0.1182","0.1405","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","259242","2020-11-25","05:11:31",""
"2022278","12.147","0.008","20.697","0.013","12.702","0.009","90","","117.432","0.005","90","","2834","3","193.4","","193.4","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-trimethoxybenzoate)","","- C30 H32 O10 -","- C30 H32 O10 -","- C120 H128 O40 -","4","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.1139","0.0696","","","0.1431","0.1635","","","","","","1.154","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:35",""
"2022279","30.399","0.01","9.176","0.003","14.994","0.005","90","","97.204","0.004","90","","4149","2","193.4","","193.4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-trifluorobenzoate)","","- C24 H14 F6 O4 -","- C24 H14 F6 O4 -","- C192 H112 F48 O32 -","8","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.0572","0.041","","","0.1111","0.1204","","","","","","1.006","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:43",""
"2022280","10.239","0.004","13.056","0.005","23.923","0.009","86.992","0.011","89.198","0.01","73.621","0.006","3064","2","193.4","","193.4","","","","","","","","","3","P -1","-P 1","2","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis[4-(benzyloxy)benzoate]","","- C38 H32 O6 -","- C38 H32 O6 -","- C152 H128 O24 -","4","2","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.093","0.05","","","0.1153","0.1393","","","","","","0.993","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:47",""
"2022281","9.033","0.003","6.427","0.002","37.08","0.014","90","","91.948","0.007","90","","2151.4","1.3","193.4","","193.4","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(4-methoxybenzoate)","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.0487","0.0425","","","0.1099","0.1159","","","","","","1.044","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:57",""
"2022282","23.308","0.01","7.132","0.003","27.253","0.009","90","","112.62","0.03","90","","4182","3","193.4","","193.4","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(2,4,6-trifluorobenzoate)","","- C24 H14 F6 O4 -","- C24 H14 F6 O4 -","- C192 H112 F48 O32 -","8","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.062","0.0464","","","0.1131","0.1234","","","","","","1.134","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:58",""
"2022283","13.5302","0.0004","4.6101","0.0001","19.3371","0.0006","90","","103.603","0.001","90","","1172.33","0.06","213","2","212.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione","","- C27 H24 N2 O9 -","- C27 H24 N2 O9 -","- C54 H48 N4 O18 -","2","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54178","CuKα","","0.0293","0.0277","","","0.0732","0.0746","","","","","","1.0723","","","","has coordinates,has disorder,has Fobs","259255","2020-11-26","05:08:43",""
"2022284","40.6637","0.0009","4.52749","0.00012","12.7049","0.0003","90","","98.027","0.002","90","","2316.11","0.1","100.01","0.1","100","","","","","","","","","5","C 1 2 1","C 2y","5","","(1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione","","- C27 H23 Cl N2 O9 -","- C27 H23 Cl N2 O9 -","- C108 H92 Cl4 N8 O36 -","4","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54184","CuKα","","0.039","0.034","","","0.0798","0.0823","","","","","","1.017","","","","has coordinates,has Fobs","259255","2020-11-26","05:08:45",""
"2022285","13.6842","0.0005","8.5302","0.0003","8.9518","0.0003","90","","107.996","0.004","90","","993.81","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(3-fluorocyclobutylammonium) tetraiodidoplumbate(VI)","Poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]","","- C8 H18 F2 I4 N2 Pb -","- C8 H18 F2 I4 N2 Pb -","- C16 H36 F4 I8 N4 Pb2 -","2","0.5","QF3046","Huang, Chao-Ran; Li, Peng-Fei; Luo, Xu-Zhong","A two-dimensional organic‒inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]","Acta Crystallographica Section C","2020","76","12","1096","1099","10.1107/S2053229620015272","","","0.71073","MoKα","","0.0379","0.0321","","","0.0794","0.0815","","","","","","1.001","","","","has coordinates,has Fobs","259256","2020-11-26","05:09:15",""
"2022295","12.2768","0.0003","4.4829","0.0001","19.6694","0.0004","90","","90","","90","","1082.52","0.04","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Bromo-2-((phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","YD3009","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism","Acta Crystallographica Section C","2020","76","11","1001","1004","10.1107/S2053229620011560","","","0.71073","MoKα","","0.0236","0.0219","","","0.0518","0.0529","","","","","","1.054","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:12",""
"2022296","25.8944","0.0013","6.9439","0.0004","6.1499","0.0004","90","","91.381","0.005","90","","1105.48","0.11","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-Bromo-2-((phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","YD3009","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism","Acta Crystallographica Section C","2020","76","11","1001","1004","10.1107/S2053229620011560","","","0.71073","MoKα","","0.042","0.039","","","0.0958","0.0995","","","","","","1.053","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:15",""
"2022359","14.0601","0.0002","10.9903","0.0002","8.7228","0.0002","90","","97.16","","90","","1337.38","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Methyl-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide","6-Methyl-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0287","0.0287","","","0.073","0.073","","","","","","1.035","","","","has coordinates","264471","2021-04-23","09:50:24",""
"2022360","6.8829","0.0002","11.8924","0.0003","19.0594","0.0005","90","","98.737","0.001","90","","1541.99","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-Chloro-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide methanol monosolvate","6-Chloro-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide methanol monosolvate","","- C12 H18 Cl N5 O2 S -","- C12 H18 Cl N5 O2 S -","- C48 H72 Cl4 N20 O8 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0254","0.0254","","","0.0688","0.0689","","","","","","1.084","","","","has coordinates,has Fobs","264472","2021-04-23","09:54:14",""
"2022361","11.2996","0.0003","9.387","0.0003","18.9935","0.0005","90","","101.8","0.001","90","","1972.05","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6-Chloro-<i>N</i>'-(4-phenylpiperazine-1-carbonothioyl)picolinohydrazonamide","6-Chloro-N'-[(4-phenylpiperazin-1-yl)carbothioylamino]pyridine-2-carboximidamide","","- C17 H19 Cl N6 S -","- C17 H19 Cl N6 S -","- C68 H76 Cl4 N24 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0339","0.0332","","","0.087","0.0875","","","","","","1.024","","","","has coordinates,has Fobs","264473","2021-04-23","09:55:02",""
"2022362","3.77379","0.00004","5.63483","0.00004","32.9783","0.0002","90","","90","","90","","701.273","0.01","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Chloropicolinohydrazonamide","<i>N</i>'-Amino-6-chloropyridine-2-carboximidamide","","- C6 H7 Cl N4 -","- C6 H7 Cl N4 -","- C24 H28 Cl4 N16 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","x-ray","1.54184","CuKα","","0.0208","0.0206","","","0.0563","0.0564","","","","","","1.081","","","","has coordinates,has Fobs","264474","2021-04-23","09:55:35",""
"2022636","10.5362","0.0009","9.4705","0.0006","20.3165","0.0017","90","","99.462","0.008","90","","1999.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","VP3002","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Natalia N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","Twist-chair conformation of the tetraoxepane ring remains unchanged in tetraoxaspirododecane diamines","Acta Crystallographica, Section C: Structural Chemistry","2020","76","3","276","286","10.1107/S2053229620001382","","x-ray","0.71073","MoKα","","0.1008","0.0589","","","0.1543","0.1883","","","","","","0.97","","","","has coordinates,has Fobs","276701","2022-07-06","22:03:38",""
"2022637","18.9061","0.0006","11.4711","0.0004","8.7831","0.0003","90","","99.134","0.003","90","","1880.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","VP3002","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Natalia N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","Twist-chair conformation of the tetraoxepane ring remains unchanged in tetraoxaspirododecane diamines","Acta Crystallographica, Section C: Structural Chemistry","2020","76","3","276","286","10.1107/S2053229620001382","","x-ray","0.71073","MoKα","","0.0985","0.0544","","","0.1316","0.162","","","","","","1.031","","","","has coordinates,has Fobs","276702","2022-07-06","22:03:51",""
"2022638","12.9687","0.0013","10.0294","0.0008","14.5182","0.0015","90","","100.068","0.009","90","","1859.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","VP3002","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Natalia N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","Twist-chair conformation of the tetraoxepane ring remains unchanged in tetraoxaspirododecane diamines","Acta Crystallographica, Section C: Structural Chemistry","2020","76","3","276","286","10.1107/S2053229620001382","","x-ray","0.71073","MoKα","","0.1544","0.0849","","","0.1986","0.235","","","","","","1.042","","","","has coordinates,has Fobs","276703","2022-07-06","22:04:04",""
"2022639","7.5679","0.0003","15.25","0.0007","17.5264","0.0007","90","","90","","90","","2022.73","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-(Cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide) methanol monosolvate","","- C21 H22 F2 N4 O3 -","- C21 H22 F2 N4 O3 -","- C84 H88 F8 N16 O12 -","4","1","QF3037","OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab","Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities","Acta Crystallographica, Section C: Structural Chemistry","2020","76","5","476","482","10.1107/S2053229620004994","","","0.71073","MoKα","","0.0967","0.0473","","","0.0953","0.111","","","","","","0.964","","","","has coordinates,has Fobs","276705","2022-07-06","22:25:09",""
"2022640","9.7682","0.0005","17.3071","0.0007","13.3524","0.0007","90","","105.165","0.004","90","","2178.74","0.19","296","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido[<i>N</i>,<i>N</i>'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide)-κ^2^<i>N</i>',<i>O</i>]zinc(II)","","- C20 H18 Cl2 F2 N4 O2 Zn -","- C20 H18 Cl2 F2 N4 O2 Zn -","- C80 H72 Cl8 F8 N16 O8 Zn4 -","4","1","QF3037","OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab","Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities","Acta Crystallographica, Section C: Structural Chemistry","2020","76","5","476","482","10.1107/S2053229620004994","","","0.71073","MoKα","","0.1236","0.0773","","","0.1778","0.1988","","","","","","1.032","","","","has coordinates,has Fobs","276706","2022-07-06","22:25:22",""
"2022641","10.4902","0.0004","16.7227","0.0008","12.6827","0.0005","90","","102.769","0.003","90","","2169.83","0.16","296","","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dichlorido[<i>N</i>,<i>N</i>'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']mercury(II)","","- C20 H18 Cl2 F2 Hg N4 O2 -","- C20 H18 Cl2 F2 Hg N4 O2 -","- C80 H72 Cl8 F8 Hg4 N16 O8 -","4","0.5","QF3037","OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab","Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities","Acta Crystallographica, Section C: Structural Chemistry","2020","76","5","476","482","10.1107/S2053229620004994","","","0.71073","MoKα","","0.0273","0.0246","","","0.0606","0.0616","","","","","","1.076","","","","has coordinates,has Fobs","276707","2022-07-06","22:25:32",""
"2022642","4.3556","0.0002","12.8548","0.0004","25.9904","0.0009","90","","90","","90","","1455.21","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-Dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","869","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0576","0.0387","","","0.0902","0.0988","","","","","","1.017","","","","has coordinates,has Fobs","276709","2022-07-06","22:39:05",""
"2022643","16.451","0.0012","4.4314","0.0003","20.0523","0.0015","90","","90","","90","","1461.83","0.18","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","4-Bromo-2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","","- C14 H9 Br Cl2 N2 O -","- C14 H9 Br Cl2 N2 O -","- C56 H36 Br4 Cl8 N8 O4 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0917","0.0378","","","0.0662","0.0824","","","","","","0.995","","","","has coordinates,has Fobs","276710","2022-07-06","22:39:18",""
"2022644","9.3193","0.0005","12.7525","0.0007","15.7294","0.0008","68.712","0.005","74.217","0.005","76.098","0.005","1655.12","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-[(1<i>E</i>)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate","","- C31 H29 Cl3 N4 O4 S4 -","- C31 H29 Cl3 N4 O4 S4 -","- C62 H58 Cl6 N8 O8 S8 -","2","1","HB7919","Khairuanuar, Nadia Liyana; Crouse, Karen A.; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","7","990","997","10.1107/S2056989020007070","","","1.54178","CuKα","","0.0627","0.0506","","","0.1271","0.1362","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","276712","2022-07-06","22:47:39",""
"2108566","18.6212","0.0001","28.4622","0.0002","29.1642","0.0002","90","","93.4511","0.0006","90","","15429","0.17","95","","95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Sodium Saccharinate 1.875-Hydrate","Sodium Saccharinate 1.875-Hydrate","","- C7 H7.75 N Na O4.875 S -","- C7 H7.57861 N Na O4.875 S -","- C448 H485.031 N64 Na64 O312 S64 -","64","16","","Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander","On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619014938","","x-ray","0.56089","AgKα","","0.0787","0.0477","","","0.0509","0.0547","","","","1.8","1.8","1.57","","","","has coordinates,has Fobs","245373","2020-10-21","18:00:00",""
"2108567","18.6212","0.0001","7.11555","0.00005","29.1642","0.0002","90","","93.4511","0.0006","90","","3857.25","0.04","95","","95","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","Sodium Saccharinate 1.875-Hydrate","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O4.875 S -","- C112 H64 N16 Na16 O78 S16 -","16","2","","Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander","On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619014938","","x-ray","0.56089","AgKα","","0.0851","0.0539","","","0.0618","0.0651","","","","2.17","2.17","1.87","","","","has coordinates,has Fobs","245373","2020-10-21","18:00:00",""
"2108568","15.0288","0.0005","5.3086","0.0002","24.444","0.0008","90","","99.133","0.002","90","","1925.47","0.12","100","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-(1H-pyrrol-2-yl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C11 H9 N O S -","- C11 H9 N O S -","- C88 H72 N8 O8 S8 -","8","2","","Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R.","The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015907","","","0.71073","MoKα","","0.0505","0.0365","","","0.0856","0.0923","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","245374","2020-10-21","18:00:00",""
"2108569","14.896","0.002","14.896","0.002","16.0338","0.001","90","","90","","120","","3081.1","0.6","293","","293","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Cd41 Ir8 -","- Cd41 Ir8 -","- Cd123 Ir24 -","3","0.166667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0386","0.0314","","","0.0748","0.0806","","","","1.09","1.09","1.08","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108570","19.9445","0.0015","19.9445","0.0015","19.9445","0.0015","90","","90","","90","","7933.6","1","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd86.45 Cu7.147 Ir7.318 -","- Cd86.442 Cu7.148 Ir7.32 -","- Cd345.768 Cu28.592 Ir29.28 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.71073","MoKα","","0.0315","0.0286","","","0.0614","0.0624","","","","1.42","1.42","1.39","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108571","19.922","0.011","19.922","0.011","19.922","0.011","90","","90","","90","","7907","8","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd86.366 Cu7.584 Ir6.698 -","- Cd86.32 Cu7.63 Ir6.7 -","- Cd345.28 Cu30.52 Ir26.8 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0466","0.0334","","","0.0612","0.0658","","","","1.13","1.13","1.11","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108572","19.785","0.0008","19.785","0.0008","19.785","0.0008","90","","90","","90","","7744.8","0.5","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd81.199 Cu15.659 Ir5.873 -","- Cd81.206 Cu15.652 Ir5.872 -","- Cd324.824 Cu62.608 Ir23.488 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0388","0.0309","","","0.0551","0.0577","","","","1.12","1.12","1.1","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108573","19.8332","0.0014","19.8332","0.0014","19.8332","0.0014","90","","90","","90","","7801.5","1","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd81.64 Cu15.796 Ir5.306 -","- Cd81.65 Cu15.786 Ir5.304 -","- Cd326.6 Cu63.144 Ir21.216 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0339","0.0265","","","0.0525","0.0557","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108574","19.7041","0.0008","19.7041","0.0008","19.7041","0.0008","90","","90","","90","","7650.1","0.5","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd80.144 Cu17.218 Ir5.638 -","- Cd80.126 Cu17.234 Ir5.64 -","- Cd320.504 Cu68.936 Ir22.56 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.71073","MoKα","","0.0364","0.0254","","","0.0533","0.0556","","","","1.24","1.24","1.2","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108575","8.1928","0.0006","5.4539","0.0005","20.07","0.05","90","","91.47","0.04","90","","896","2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1218","0.061","","","0.1485","0.1681","","","","","","0.962","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108576","8.24","0.03","5.4015","0.0009","19.519","0.003","90","","91.55","0.06","90","","868","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.073","0.0438","","","0.1085","0.1308","","","","","","1.163","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108577","6.305","0.001","5.1839","0.0004","24.94","0.08","90","","96.25","0.08","90","","810","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.0712","0.0627","","","0.1584","0.1717","","","","","","1.062","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108578","6.3679","0.0008","5.1671","0.0006","24.58","0.08","90","","96.25","0.06","90","","804","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.0626","0.0435","","","0.097","0.1044","","","","","","1.164","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108579","6.341","0.0007","5.1594","0.0005","24.52","0.06","90","","96.05","0.05","90","","798","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.0615","0.0426","","","0.1053","0.1209","","","","","","1.076","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108580","8.171","0.013","5.3995","0.0009","19.515","0.003","90","","92","0.04","90","","860.5","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1521","0.0867","","","0.2331","0.2772","","","","","","1.102","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108581","6.3608","0.0008","5.183","0.0007","24.75","0.05","90","","96.66","0.05","90","","810.5","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1703","0.091","","","0.2073","0.2603","","","","","","1.157","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108582","6.3399","0.0008","5.1789","0.0006","24.8","0.07","90","","96.58","0.06","90","","809","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1348","0.0931","","","0.2298","0.2797","","","","","","1.164","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108583","11.3756","0.0003","11.5611","0.0003","14.0894","0.0004","73.533","0.002","67.176","0.003","60.845","0.003","1481.18","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 N30 O32 V10 -","- C30 H44 N30 O32 V10 -","- C30 H44 N30 O32 V10 -","1","0.5","BM5122","Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan","Crystal engineering of an adenine‒decavanadate molecular device towards label-free chemical sensing and biological screening","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016196","","","0.71073","MoKα","","0.0584","0.0385","","","0.0878","0.0964","","","","","","1","","","","has coordinates,has Fobs","247185","2020-10-21","18:00:00",""
"2108584","8.7958","0.0002","7.5909","0.0002","10.8134","0.0003","90","","104.722","0.001","90","","698.29","0.03","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-oxa-4-azatricyclo[5.2.1.0^{2,6}^]dec-8-ene-3,5-dione","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.0309","0.0245","","","0.0567","0.0578","","","","","","1.28","","","","has coordinates,has Fobs","249318","2020-10-21","18:00:00",""
"2108585","8.74","0.002","10.989","0.002","9.736","0.002","90","","90.75","0.03","90","","935","0.3","100","0.2","100","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.0183","0.0169","","","0.0401","0.0404","","","","","","1.77","","","","has coordinates,has Fobs","249318","2020-10-21","18:00:00",""
"2108586","7.8898","0.0006","8.5729","0.0006","14.2922","0.0011","88.333","0.006","89.646","0.007","73.099","0.007","924.56","0.12","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","2","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.038","0.0297","","","0.0595","0.0622","","","","","","1.328","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2108587","11.6065","0.0004","7.3059","0.0003","20.0511","0.0008","90","","99.977","0.004","90","","1674.54","0.11","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C72 H72 N8 O32 -","8","2","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.0534","0.0359","","","0.0623","0.2423","","","","","","1.869","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2108588","11.2998","0.0018","25.77","0.003","9.3086","0.0012","90","","111.894","0.016","90","","2515.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cu N6 O12 -","- C24 H14 Cu N6 O12 -","- C96 H56 Cu4 N24 O48 -","4","1","","Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.","Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001225","","","0.71073","MoKα","","0.0623","0.0485","","","0.1187","0.1331","","","","","","1.041","","","","has coordinates,has Fobs","249321","2020-10-21","18:00:00",""
"2108589","11.285","0.003","26.65","0.003","9.4293","0.0017","90","","111.31","0.02","90","","2641.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28 Cu2 N12 O24 -","- C52 H28 Cu2 N12 O24 -","- C104 H56 Cu4 N24 O48 -","2","0.5","","Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.","Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001225","","","0.71073","MoKα","","0.0782","0.0552","","","0.1321","0.1476","","","","","","1.006","","","","has coordinates,has Fobs","249321","2020-10-21","18:00:00",""
"2108590","16.3296","0.0002","16.3759","0.0004","31.1186","0.0005","90","","90","","90","","8321.5","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>,6<i>aS</i>,7<i>R</i>, 7<i>aR</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,11<i>S</i>,11<i>aR</i>, 12<i>R</i>,12<i>aR</i>,13<i>R</i>,14<i>S</i>)-1-ethyl-4,8,9,11,11a-pentahydroxy -6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2<i>H</i>-3,6a,12- (epiethane[1,1,2]triyl)-7, 9-methanonaphtho[2,3-<i>b</i>]azocin-1-ium chloride monohydrate","","- C25 H44 Cl N O10 -","- C25 H44 Cl N O10 -","- C300 H528 Cl12 N12 O120 -","12","3","RM5026","Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng","Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001250","","x-ray","0.71073","MoKα","","0.0538","0.0431","","","0.098","0.1033","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249434","2020-10-21","18:00:00",""
"2108591","10.946","0.002","12.502","0.003","13.029","0.003","70.34","0.03","79.99","0.03","73.06","0.03","1600.5","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 Cu N6 O7 -","- C28 H50 Cu N6 O7 -","- C56 H100 Cu2 N12 O14 -","2","1","","Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun","Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620002371","","","0.61","synchrotron","","0.0599","0.0526","","","0.1647","0.1705","","","","","","1.103","","","","has coordinates,has Fobs","249568","2020-10-21","18:00:00",""
"2108592","11.386","0.002","14.063","0.003","21.427","0.004","90","","90","","90","","3430.9","1.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H52 Cu N6 O6 -","- C30 H52 Cu N6 O6 -","- C120 H208 Cu4 N24 O24 -","4","0.5","","Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun","Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620002371","","","0.61","synchrotron","","0.0795","0.0507","","","0.1639","0.1782","","","","","","1.068","","","","has coordinates,has Fobs","249568","2020-10-21","18:00:00",""
"2108593","10.2989","0.0002","14.3586","0.0003","14.5679","0.0003","115.521","0.008","103.49","0.009","100.116","0.01","1794.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 O46 -","- C60 H80 O46 -","- C60 H80 O46 -","1","0.5","","Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.","Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001821","","","0.71073","MoKα","","0.0648","0.0414","","","0.1106","0.1297","","","","","","1.041","","","","has coordinates,has Fobs","249569","2020-10-21","18:00:00",""
"2108594","7.5073","0.0009","8.0208","0.0009","14.723","0.0016","77.133","0.004","79.494","0.004","84.408","0.004","848.29","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H40 O20 -","- C30 H40 O20 -","- C30 H40 O20 -","1","0.5","","Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.","Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001821","","","0.71073","MoKα","","0.0601","0.047","","","0.1215","0.1396","","","","","","1.08","","","","has coordinates,has Fobs","249569","2020-10-21","18:00:00",""
"2108595","17.475","0.009","8.051","0.002","14.19","0.005","90","","109.91","0.05","90","","1877.1","1.4","120","0.2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Mg N6 O10 S2 -","- C34 H44 Mg N6 O10 S2 -","- C68 H88 Mg2 N12 O20 S4 -","2","0.5","RM5029","Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M.","The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001249","","x-ray","1.54184","CuKα","","0.2299","0.1496","","","0.3519","0.4164","","","","","","1.072","","","","has coordinates,has Fobs","249654","2020-10-21","18:00:00",""
"2108596","11.67","0.007","11.4666","0.0012","8.494","0.004","90","","106.848","0.014","90","","1087.8","0.8","300","","300","","","","100","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O5 -","- C10 H8 N4 O5 -","- C40 H32 N16 O20 -","4","1","","Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta","Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography","Acta Crystallographica Section B","2020","76","3","","","10.1107/S205252062000373X","powder diffraction","x-ray","1.5405","CuKα","","","","","","0.09592","","0.04496","","0.306","","","","","","","has coordinates","250840","2020-10-21","18:00:00",""
"2108597","22.183","0.022","12.546","0.007","5.3092","0.0016","51.074","0.003","92.16","0.03","97.31","0.11","1138.5","1.4","300","","300","","","","100","","","","","4","P -1","-P 1","2","","","","- C20 H16 N8 O10 -","- C20 H16 N8 O10 -","- C40 H32 N16 O20 -","2","1","","Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta","Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography","Acta Crystallographica Section B","2020","76","3","","","10.1107/S205252062000373X","powder diffraction","x-ray","1.5405","CuKα","","","","","","0.1323","","0","","10.274","","","","","","","has coordinates,has Fobs","250840","2020-10-21","18:00:00",""
"2108598","3.82563","0.00022","6.50848","0.0002","15.2148","0.00051","89.522","0.0077","91.9447","0.0085","101.226","0.0054","371.37","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","2-monomethyl-quinacridone; Pigment Red 192","2-methyl-5,12-dihydrochino[2,3-b]acridine-7,14-dione","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","1","0.5","","Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U.","Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620003984","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.515488","1.061","","","","","","","has coordinates,has Fobs","251888","2020-10-21","18:00:00",""
"2108599","6.7352","0.0004","14.8514","0.0008","23.3648","0.0013","90","","94.735","0.004","90","","2329.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F4 Si2 -","- C24 H22 F4 Si2 -","- C96 H88 F16 Si8 -","4","1","","Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia","Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004424","","","1.54178","CuKα","","0.0641","0.0623","","","0.1733","0.1745","","","","","","1.05","","","","has coordinates","252088","2020-10-21","18:00:00",""
"2108600","6.905","0.0014","14.948","0.003","23.66","0.005","90","","94.82","0.03","90","","2433.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F4 Si2 -","- C24 H22 F4 Si2 -","- C96 H88 F16 Si8 -","4","1","RA5074","Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia","Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004424","","x-ray","0.72932","synchrotron","","0.0739","0.048","","","0.1264","0.148","","","","","","1.019","","","","has coordinates,has Fobs","252089","2020-10-21","18:00:00",""
"2108601","8.602","0.0017","10.085","0.002","11.209","0.002","115.07","0.03","102.61","0.03","98.82","0.03","825.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 Si2 -","- C36 H50 Si2 -","- C36 H50 Si2 -","1","0.5","","Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia","Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004424","","x-ray","0.72932","synchrotron","","0.0395","0.0386","","","0.1151","0.1162","","","","","","1.059","","","","has coordinates,has Fobs","252089","2020-10-21","18:00:00",""
"2108602","7.2923","0.0003","23.44","0.002","12.75","0.0011","90","","106.337","0.008","90","","2091.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N2 O3 Re -","- C21 H20 Cl N2 O3 Re -","- C84 H80 Cl4 N8 O12 Re4 -","4","1","XK5069","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","1.54184","CuKα","","0.0233","0.0214","","","0.0522","0.0534","","","","","","1.043","","","","has coordinates,has Fobs","252090","2020-10-21","18:00:00",""
"2108603","8.2294","0.0004","36.355","0.002","8.1035","0.0007","90","","105.614","0.007","90","","2334.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24.4 Cl N2 O3 Re -","- C23 H24.4 Cl N2 O3 Re -","- C92 H97.6 Cl4 N8 O12 Re4 -","4","1","","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","0.71073","MoKα","","0.0713","0.0647","","","0.1072","0.1093","","","","","","1.451","","","","has coordinates,has disorder,has Fobs","252090","2020-10-21","18:00:00",""
"2108604","9.998","0.003","30.878","0.0015","8.209","0.0005","90","","98.497","0.012","90","","2506.5","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N2 O3 Re -","- C25 H28 Cl N2 O3 Re -","- C100 H112 Cl4 N8 O12 Re4 -","4","1","","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","0.71073","MoKα","","0.0509","0.0365","","","0.0565","0.0596","","","","","","1.177","","","","has coordinates,has Fobs","252090","2020-10-21","18:00:00",""
"2108605","13.0248","0.0005","21.7653","0.0012","10.421","0.004","90","","90","","90","","2954.2","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H36 Cl N2 O3 Re -","- C29 H36 Cl N2 O3 Re -","- C116 H144 Cl4 N8 O12 Re4 -","4","0.5","","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","0.71073","MoKα","","0.0322","0.0246","","","0.0475","0.0502","","","","","","1.045","","","","has coordinates,has Fobs","252090","2020-10-21","18:00:00",""
"2108606","7.8461","0.0013","20.359","0.003","29.189","0.005","90","","94.612","0.003","90","","4647.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 N8 O8 S2 Zn2 -","- C52 H32 N8 O8 S2 Zn2 -","- C208 H128 N32 O32 S8 Zn8 -","4","1","","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004217","","","0.71073","MoKα","","0.0577","0.0403","","","0.1133","0.1207","","","","","","1.061","","","","has coordinates,has Fobs","252091","2020-10-21","18:00:00",""
"2108607","22.486","0.002","8.8585","0.0009","8.3874","0.0008","90","","96.221","0.003","90","","1660.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 O4 -","- C36 H58 O4 -","- C72 H116 O8 -","2","0.5","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.1083","0.0685","","","0.133","0.1432","","","","","","1.254","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108608","8.554","0.002","8.6844","0.0017","9.81","0.003","100.26","0.02","109.1","0.03","100.53","0.02","654.5","0.3","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H38 O6 -","- C28 H38 O6 -","- C28 H38 O6 -","1","0.5","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.1305","0.0693","","","0.1457","0.1826","","","","","","0.986","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108609","11.304","0.002","10.064","0.002","14.496","0.003","90","","107.822","0.01","90","","1570","0.5","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","2","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.0815","0.063","","","0.1641","0.1786","","","","","","1.029","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108610","13.1","0.0007","7.6709","0.0003","15.2881","0.0007","90","","110.181","0.005","90","","1441.97","0.12","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.0936","0.0499","","","0.1135","0.1321","","","","","","1.024","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108611","9.8106","0.0001","10.5345","0.0001","10.4312","0.0001","90","","91.787","0.001","90","","1077.54","0.018","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-[(tetrahydro-2H-pyran-2-yl) oxy] thiazole-2(3H)-thione","","- C9 H13 N O2 S2 -","- C9 H13 N O2 S2 -","- C36 H52 N4 O8 S8 -","4","1","","Vénosová, Barbora; Koziskova, Julia; Kožíšek, Jozef; Herich, Peter; Lušpai, Karol; Petricek, Vaclav; Hartung, Jens; Müller, Mike; Hübschle, Christian B.; van Smaalen, Sander; Bucinsky, Lukas","Charge density of 4-methyl-3-[(tetrahydro-2<i>H</i>-pyran-2-yl)oxy]thiazole-2(3<i>H</i>)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005533","","","0.56083","AgKα","","0.041","0.014","","","","0.017","","","","","","1.865","","","","has coordinates","252272","2020-10-21","18:00:00",""
"2108612","5.696","0.0001","5.696","0.0001","31.6796","0.0002","90","","90","","90","","1027.83","0.03","295","","295","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Mo O6 Pr2 -","- Mo O6 Pr2 -","- Mo8 O48 Pr16 -","8","0.5","","Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.","Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005740","","x-ray","0.71073","MoKα","","0.0093","0.009","","","0.0132","0.0134","","","","1.07","1.07","1.07","","","","has coordinates,has Fobs","252309","2020-10-21","18:00:00",""
"2108613","5.6979","0.0001","5.6979","0.0001","31.7012","0.0002","90","","90","","90","","1029.21","0.03","295","0.1","295","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- Mg0.026 Mo0.974 O5.94 Pr2 -","- Mg0.026 Mo0.974 O5.94 Pr2 -","- Mg0.208 Mo7.792 O47.52 Pr16 -","8","0.5","","Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.","Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005740","","x-ray","0.71073","MoKα","","0.0361","0.0114","","","0.0136","0.016","","","","1.17","1.17","1","","","","has coordinates,has Fobs","252309","2020-10-21","18:00:00",""
"2108614","5.027","0.0008","14.047","0.002","9.263","0.001","90","","102.29","0.01","90","","639.11","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium copper aluminium phosphate","potassium copper aluminium bis(phosphate)","","- Al Cu K O8 P2 -","- Al Cu K O8 P2 -","- Al4 Cu4 K4 O32 P8 -","4","1","","Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga","Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005715","","","0.71073","MoKα","","0.0556","0.0485","","","0.0905","0.093","","","","","","1.229","","","","has coordinates,has Fobs","252310","2020-10-21","18:00:00",""
"2108615","13.234","0.001","13.121","0.001","8.6581","0.0008","90","","100.14","0.01","90","","1479.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","potassium zinc aluminium phosphate-silicate","potassium zinc aluminium bis(phosphate-silicate)","","- Al3 K2 O16 P3 Si Zn -","- Al3 K2 O16 P3 Si Zn -","- Al12 K8 O64 P12 Si4 Zn4 -","4","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga","Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005715","","","0.71073","MoKα","","0.0689","0.0588","","","0.0928","0.096","","","","","","1.293","","","","has coordinates,has Fobs","252310","2020-10-21","18:00:00",""
"2108616","17.3785","0.0009","15.9864","0.0008","13.5477","0.001","90","","90","","90","","3763.8","0.4","293","5","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 O23 P2 U3 -","- Ca2 H14 O23 P2 U3 -","- Ca16 H112 O184 P16 U24 -","8","1","","Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon","Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005739","","x-ray","0.71073","MoKα","","0.0803","0.042","","","0.0647","0.0742","","","","1.31","1.31","1.22","","","","has coordinates,has Fobs","252370","2020-10-21","18:00:00",""
"2108617","19.8621","0.0006","19.8621","0.0006","19.8621","0.0006","90","","90","","90","","7835.7","0.4","296","2","296","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga105.3 Mg69.48 Ni48 -","- Ga105.296 Mg69.48 Ni48 -","- Ga210.592 Mg138.96 Ni96 -","2","0.0104167","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut","New cubic cluster phases in the Mg‒Ni‒Ga system","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006423","","","0.71073","MoKα","","0.0519","0.0303","","","0.0697","0.0779","","","","","","1.055","","","","has coordinates,has Fobs","254052","2020-10-21","18:00:00",""
"2108618","11.4886","0.0017","11.4886","0.0017","11.4886","0.0017","90","","90","","90","","1516.4","0.4","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga8 Mg24 Ni16 -","- Ga8 Mg24 Ni16 -","- Ga16 Mg48 Ni32 -","2","0.0104167","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut","New cubic cluster phases in the Mg‒Ni‒Ga system","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006423","","","0.71073","MoKα","","0.0202","0.018","","","0.0421","0.0426","","","","","","1.468","","","","has coordinates,has Fobs","254052","2020-10-21","18:00:00",""
"2108619","9.8441","0.0008","10.8561","0.0009","13.5205","0.0012","90","","96.728","0.002","90","","1435","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C52 H88 N8 O20 -","4","1","","Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie","Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006265","","","0.71073","MoKα","","0.0695","0.0457","","","0.119","0.136","","","","","","1.022","","","","has coordinates,has Fobs","254053","2020-10-21","18:00:00",""
"2108620","8.2881","0.0009","9.5302","0.0008","10.6708","0.0011","113.46","0.004","105.99","0.003","99.162","0.002","707.87","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C26 H40 N4 O8 -","2","1","","Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie","Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006265","","","0.71073","MoKα","","0.1039","0.0548","","","0.1197","0.1388","","","","","","1.037","","","","has coordinates,has Fobs","254053","2020-10-21","18:00:00",""
"2108621","10.1294","0.0007","12.2011","0.0009","14.243","0.0011","82.035","0.004","74.232","0.003","79.373","0.003","1657.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaqua-bis(pyridine-2-carboxamide-N,O)-nickel(ii) bis(2,6-pyridinedicarboxylato)-nickel(ii) 4.67-hydrate","","- C26 H31.34 N6 Ni2 O16.67 -","- C26 H31.34 N6 Ni2 O16.67 -","- C52 H62.68 N12 Ni4 O33.34 -","2","1","","Chahkandi, Mohammad; Keivanloo Shahrestanaki, Abolfazl; Mirzaei, Masoud; Nawaz Tahir, Muhammad; Mague, Joel T.","Crystal and molecular structure of [Ni{2-H~2~NC(=O)C~5~H~4~N}~2~(H~2~O)~2~][Ni{2,6-(O~2~C)~2~C~5~H~3~N}~2~]·4.67H~2~O; DFT studies on hydrogen bonding energies in the crystal","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006472","","","0.71073","MoKα","","0.0612","0.0406","","","0.1015","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","254171","2020-10-21","18:00:00",""
"2108622","13.7828","0.0009","13.7828","0.0009","7.3148","0.0005","90","","90","","120","","1203.39","0.14","80","1","80","1","","","","","","","","6","P 63/m","-P 6c","176","","","","- C3 H18 F9 Gd O18 S3 -","- C3 H18 F9 Gd O18 S3 -","- C6 H36 F18 Gd2 O36 S6 -","2","0.166667","","Janicki, Rafał; Starynowicz, Przemysław","Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate ‒ insight into Gd^III^—OH~2~ bonding","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006903","","x-ray","0.71073","MoKα","","0.012","0.009","","","","0.023","","","","","","1.837","","","","has coordinates","254172","2020-10-21","18:00:00",""
"2108623","15.0062","0.0003","8.582","0.0001","13.3243","0.0003","89.984","0.002","91.447","0.002","90.002","0.001","1715.4","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Ag2 N3 S16 -","- C23 H16 Ag2 N3 S16 -","- C46 H32 Ag4 N6 S32 -","2","1","","Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul","New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620005545","","x-ray","0.6717","synchrotron","","0.0564","0.0451","","","0.0734","0.075","","","","2.82","2.82","2.54","","","","has coordinates,has Fobs","254173","2020-10-21","18:00:00",""
"2108624","15.0831","0.0003","8.6447","0.0001","13.4755","0.0003","90.012","0.002","91.364","0.002","89.998","0.001","1756.56","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Ag2 N3 S16 -","- C23 H16 Ag2 N3 S16 -","- C46 H32 Ag4 N6 S32 -","2","1","","Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul","New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620005545","","x-ray","0.6717","synchrotron","","0.0577","0.047","","","0.0656","0.0672","","","","2.67","2.67","2.41","","","","has coordinates,has Fobs","254173","2020-10-21","18:00:00",""
"2108625","8.21","0.004","6.33","0.002","17.277","0.009","90","","102.41","0.019","90","","876.9","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0601","0.0514","","","","0.1441","","","","","","1.127","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108626","9.705","0.003","13.476","0.003","13.843","0.004","90","","101.159","0.011","90","","1776.2","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71075","MoKα","","0.0667","0.0487","","","","0.1347","","","","","","1.07","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108627","9.642","0.002","13.292","0.002","13.931","0.003","90","","99.89","0.009","90","","1758.9","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0408","0.0372","","","","0.1099","","","","","","1.11","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108628","8.317","0.003","6.0774","0.0019","17.513","0.006","90","","103.095","0.013","90","","862.2","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0453","0.0448","","","","0.1219","","","","","","1.056","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108629","13.366","0.0013","11.6008","0.001","30.052","0.003","90","","130.787","0.003","90","","3528.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.048","0.0403","","","","0.1037","","","","","","1.054","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108630","22.323","0.008","13.499","0.005","11.828","0.005","90","","98.459","0.017","90","","3525","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.094","0.0567","","","","0.1371","","","","","","0.953","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108631","36.448","0.011","6.1171","0.0018","16.087","0.004","90","","102.193","0.007","90","","3505.8","1.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0831","0.0524","","","","0.1454","","","","","","1.048","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108632","16.559","0.002","17.595","0.002","6.1048","0.0009","90","","90","","90","","1778.7","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0496","0.0438","","","","0.1058","","","","","","1.073","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108633","9.445","0.006","21.293","0.011","9.59","0.006","90","","112.96","0.02","90","","1775.9","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0848","0.0717","","","","0.2162","","","","","","1.08","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108634","36.079","0.004","6.2372","0.0006","16.051","0.002","90","","104.627","0.006","90","","3494.9","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0477","0.0431","","","","0.1145","","","","","","1.045","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108635","17.468","0.003","6.2025","0.001","16.338","0.003","90","","92.208","0.009","90","","1768.8","0.5","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.104","0.087","","","","0.235","","","","","","1.044","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108636","18.194","0.006","6.147","0.002","16.182","0.005","90","","104.903","0.011","90","","1748.9","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71075","MoKα","","0.0982","0.0658","","","","0.1916","","","","","","1.072","","","","has coordinates","254276","2020-10-21","18:00:00",""
"2108637","7.6714","0.0011","7.1287","0.0009","16.428","0.002","90","","100.298","0.006","90","","883.9","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0444","0.0386","","","","0.0949","","","","","","1.098","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108638","16.643","0.003","6.1042","0.001","35.217","0.007","90","","90","","90","","3577.8","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.1309","0.0901","","","","0.2574","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","254276","2020-10-21","18:00:00",""
"2108639","12.287","0.002","11.3169","0.0016","22.191","0.004","90","","145.954","0.006","90","","1727.5","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0469","0.0402","","","","0.106","","","","","","1.048","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108640","12.947","0.003","10.4113","0.0018","22.59","0.005","90","","145.306","0.01","90","","1733.2","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0439","0.0404","","","","0.1141","","","","","","1.053","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108641","11.137","0.0001","11.8983","0.0002","15.127","","73.675","0.012","71.73","0.013","72.936","0.011","1779.74","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0529","0.0427","","","","0.1187","","","","","","1.047","","","","has coordinates","254276","2020-10-21","18:00:00",""
"2108642","10.6975","0.0007","13.2186","0.0004","13.6339","0.0002","68.667","0.014","80.428","0.018","81.09","0.02","1761.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0506","0.0407","","","","0.107","","","","","","1.045","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108643","11.322","0.002","12.437","0.002","20.012","0.003","90","","140.922","0.008","90","","1776.4","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0704","0.0549","","","","0.1459","","","","","","1.076","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108644","10.3744","0.0014","16.379","0.002","19.851","0.003","90","","90","","90","","3373.1","0.8","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0497","0.0359","","","","0.0891","","","","","","1.017","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108645","15.5993","0.0008","49.062","0.002","15.6099","0.0008","90","","119.896","0.002","90","","10357","0.9","100","2","100","","","","","","","","","4","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C504 H384 N48 O96 -","24","6","DK5096","Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean","Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620008021","","x-ray","1.54178","CuKα","","0.0497","0.044","","","0.1138","0.1211","","","","","","1.08","","","","has coordinates,has Fobs","254334","2020-10-21","18:00:00",""
"2108646","7.2386","0.0003","9.3412","0.0003","11.1013","0.0004","90","","103.224","0.001","90","","730.73","0.05","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al3 B4 O12 Sm -","- Al3 B4 O12 Sm -","- Al12 B16 O48 Sm4 -","4","0.5","","Oreshonkov, A. S.; Shestakov, N. P.; Molokeev, M. S.; Aleksandrovsky, A. S.; Gudim, I. A.; Temerov, V. L.; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Pogoreltsev, E. I.; Denisenko, Y. G.","Monoclinic SmAl~3~(BO~3~)~4~: synthesis, structural and spectroscopic properties","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620008781","","","0.71073","MoKα","","0.0261","0.0259","","","0.063","0.0631","","","","","","1.202","","","","has coordinates,has Fobs","254506","2020-10-21","18:00:00",""
"2108647","7.20378","0.00002","15.57492","0.00005","8.63406","0.00003","90","","90","","90","","968.727","0.005","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dieuropium tricalcium tetraborate","","- B4 Ca3 Eu2 O12 -","- B4 Ca2.9999 Eu2.0001 O12 -","- B16 Ca11.9996 Eu8.0004 O48 -","4","0.5","","Kosyl, Katarzyna M.; Paszkowicz, Wojciech; Shekhovtsov, Alexey N.; Kosmyna, Miron B.; Antonowicz, Jerzy; Olczak, Adam; Fitch, Andrew N.","Variation of cation distribution with temperature and its consequences on thermal expansion for Ca~3~Eu~2~(BO~3~)~4~","Acta Crystallographica Section B","2020","76","4","554","562","10.1107/S2052520620006757","powder diffraction","","0.400218","synchrotron","","","","","","","","","6.735","4.809","","","","","","","has coordinates","255153","2020-10-21","18:00:00",""
"2108648","9.3914","0.001","12.3034","0.001","3.0697","0.0006","90","","90","","90","","354.69","0.08","293","","293","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B Fe2.654 Mg0.346 O5 -","- B Fe2.65 Mg0.35 O5 -","- B4 Fe10.6 Mg1.4 O20 -","4","0.5","RA5077","Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.","Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis","Acta Crystallographica Section B","2020","76","4","543","553","10.1107/S2052520620006538","","x-ray","0.71069","MoKα","","0.0452","0.0362","","","0.0376","0.0388","","","","1.82","1.82","1.66","","","","has coordinates","255154","2020-10-21","18:00:00",""
"2108649","9.425","0.001","12.3528","0.001","3.0799","0.0006","90","","90","","90","","358.58","0.08","400","","400","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B Fe2.654 Mg0.346 O5 -","- B Fe2.6544 Mg0.3456 O5 -","- B4 Fe10.6176 Mg1.3824 O20 -","4","0.5","RA5077","Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.","Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis","Acta Crystallographica Section B","2020","76","4","543","553","10.1107/S2052520620006538","","x-ray","0.71069","MoKα","","0.0347","0.029","","","0.0316","0.0324","","","","1.6","1.6","1.48","","","","has coordinates","255154","2020-10-21","18:00:00",""
"2108650","6.30238","0.00004","9.05654","0.00005","11.22025","0.0001","90","","105.969","0.0005","90","","615.714","0.008","175","","175","","","","10","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethyl sulfoxide dihydrate","hexadeutero-dimethyl sulfoxide dideuterate","","- C2 D10 O3 S -","- C2 D10 O3 S -","- C8 D40 O12 S4 -","4","1","","Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V.","On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620008999","powder diffraction","neutron","","whitebeam","","","","","","","","0.0735","","1.7","","","","","","","has coordinates","255312","2020-10-21","18:00:00",""
"2108651","10.266194","0.00003","7.01113","0.000021","10.068968","0.000029","90","","101.503","0.0002","90","","710.183","0.004","195","","195","","","","10","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethyl sulfoxide trihydrate","hexadeutero-dimethyl sulfoxide trideuterate","","- C2 D12 O4 S -","- C2 D12 O4 S -","- C8 D48 O16 S4 -","4","1","","Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V.","On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620008999","powder diffraction","neutron","","whitebeam","","","","","","","","0.0824","","1.39","","","","","","","has coordinates","255312","2020-10-21","18:00:00",""
"2108652","5.6035","0.0005","5.6035","0.0005","5.6035","0.0005","90","","90","","90","","175.95","0.03","293","2","193","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Tsirelson, Vladimir; Stash, Adam","Orbital-free quantum crystallography: view on forces in crystals","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009178","","","0.71073","MoKα","","0.0152","0.0152","","","0.0347","0.0347","","","","","","0.718","","","","has coordinates,has Fobs","255582","2020-10-21","18:00:00",""
"2108653","19.1124","0.0003","19.1124","0.0003","34.4165","0.0006","90","","90","","90","","12571.8","0.4","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- F120 Ga20 K60 -","- F120 Ga20 K60 -","- F480 Ga80 K240 -","4","0.25","","King, Graham","New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009695","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","255583","2020-10-21","18:00:00",""
"2108654","13.6088","0.0004","13.6088","0.0004","8.6764","0.0003","90","","90","","90","","1606.86","0.09","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F30 Ga5 K15 -","- F30 Ga5 K15 -","- F60 Ga10 K30 -","2","0.125","","King, Graham","New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009695","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","255583","2020-10-21","18:00:00",""
"2108655","8.6649","0.0001","8.6649","0.0001","8.6649","0.0001","90","","90","","90","","650.565","0.013","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- F6 Ga K3 -","- F6 Ga K3 -","- F24 Ga4 K12 -","4","0.0208333","","King, Graham","New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009695","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","255583","2020-10-21","18:00:00",""
"2108656","15.366","0.002","16.035","0.002","14.327","0.001","90","","91.21","0.01","90","","3529.3","0.7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C29 H20 Br3 Mn O4 P2 S -","- C29 H20 Br3 Mn O4 P2 S -","- C116 H80 Br12 Mn4 O16 P8 S4 -","4","1","","Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier","The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009889","","x-ray","0.71073","MoKα","","0.084","0.0463","","","0.1149","0.1266","","","","","","0.992","","","","has coordinates,has Fobs","255736","2020-10-21","18:00:00",""
"2108657","21.91","0.02","21.91","0.02","25.44","0.03","90","","90","","90","","12212","2","100","","100","","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C260 H264 N24 O40 -","- C260 H264 N24 O40 -","- C520 H528 N48 O80 -","2","0.125","LO5072","Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz","C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009944","","","0.8266","synchrotron","","0.0889","0.0845","","","0.2386","0.2587","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","255737","2020-10-21","18:00:00",""
"2108658","12.741","0.0004","7.7542","0.0003","29.3961","0.0011","90","","98.6","0.001","90","","2871.57","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0735","0.0559","","","0.1191","0.1267","","","","","","1.087","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108659","7.3324","0.0009","29.277","0.003","7.4171","0.0008","90","","117.402","0.004","90","","1413.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0966","0.0763","","","0.1423","0.1502","","","","","","1.184","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108660","7.119","0.0002","7.2678","0.0003","15.0171","0.0006","78.012","0.001","82.182","0.001","66.007","0.001","693.2","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C30 H36 N4 O8 -","2","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0492","0.0417","","","0.107","0.1118","","","","","","1.054","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108661","7.3901","0.0005","25.1748","0.0018","8.0438","0.0006","90","","108.992","0.003","90","","1415.04","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0587","0.0545","","","0.1215","0.1238","","","","","","1.146","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108662","13.1277","0.0019","13.977","0.002","17.802","0.003","80.629","0.005","82.485","0.005","62.419","0.005","2850.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","4","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0795","0.0653","","","0.1404","0.1467","","","","","","1.162","","","","has coordinates,has disorder,has Fobs","256342","2020-10-21","18:00:00",""
"2108663","8.0548","0.0006","10.7806","0.0008","13.7195","0.0011","78.551","0.002","80.825","0.002","72.1629","0.0019","1105.28","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl10 H20 Li4 O11 Ru2 -","- Cl10 H20 Li4 O11 Ru2 -","- Cl20 H40 Li8 O22 Ru4 -","2","1","","Mudiyanselage, Ranuri S Dissanayaka; Marshall, Madalynn; Kong, Tai; Xie, Weiwei","Li~4~Ru~2~OCl~10~·10H~2~O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010914","","","0.71073","MoKα","","0.0276","0.021","","","0.0437","0.0459","","","","","","1.062","","","","has coordinates,has Fobs","256761","2020-10-21","18:00:00",""
"2108664","14.279","0.0002","14.279","0.0002","19.7589","0.0004","90","","90","","120","","3488.9","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3 Mo6 Na Ni4 O24 -","- K3 Mo6 Na Ni4 O24 -","- K18 Mo36 Na6 Ni24 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0255","0.0237","","","0.0509","0.0514","","","","","","1.294","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108665","14.2719","0.0002","14.2719","0.0002","19.8063","0.0004","90","","90","","120","","3493.8","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K2.51 Mo6 Na1.49 Ni4 O24 -","- K2.5134 Mo6 Na1.486 Ni4 O24 -","- K15.0804 Mo36 Na8.916 Ni24 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0155","0.0141","","","0.0327","0.0331","","","","","","1.162","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108666","14.4528","0.0002","14.4528","0.0002","19.8894","0.0003","90","","90","","120","","3597.96","0.09","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3 Mg4 Mo6 Na O24 -","- K3 Mg4 Mo6 Na O24 -","- K18 Mg24 Mo36 Na6 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0172","0.0151","","","0.0335","0.034","","","","","","1.196","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108667","14.4673","0.0005","14.4673","0.0005","19.9186","0.0009","90","","90","","120","","3610.5","0.2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K2.88 Mg4 Mo6 Na1.12 O24 -","- K2.8812 Mg4 Mo6 Na1.1188 O24 -","- K17.2872 Mg24 Mo36 Na6.7128 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0283","0.0209","","","0.0411","0.0438","","","","","","1.038","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108668","14.4638","0.0001","14.4638","0.0001","19.8369","0.0003","90","","90","","120","","3593.93","0.06","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Co4 K3 Mo6 Na O24 -","- Co4 K3 Mo6 Na O24 -","- Co24 K18 Mo36 Na6 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0165","0.0148","","","0.0367","0.0372","","","","","","1.136","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108669","14.3541","0.0002","14.3541","0.0002","19.7338","0.0004","90","","90","","120","","3521.22","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3.11 Li0.89 Mg4 Mo6 O24 -","- K3.1126 Li0.888 Mg4 Mo6 O24 -","- K18.6756 Li5.328 Mg24 Mo36 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0217","0.0182","","","0.0406","0.0417","","","","","","1.061","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108670","7.014","0.003","8.361","0.003","14.389","0.005","90","","90","","90","","843.8","0.6","326","2","326","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C12 H32 N8 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.048","0.035","","","0.095","0.1039","","","","","","1.095","","","","has coordinates,has disorder","256763","2020-10-21","18:00:00",""
"2108671","6.962","0.003","8.368","0.003","14.388","0.004","90","","90","","90","","838.2","0.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C12 H32 N8 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0456","0.0351","","","0.0865","0.0949","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","256763","2020-10-21","18:00:00",""
"2108672","13.673","0.002","8.396","0.002","14.317","0.003","90.57","0.02","90","","90","","1643.5","0.6","100","2","100","2","","","","","","","","5","P 21/n 1 1","-P 2xn","14","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C24 H64 N16 O48 P16 -","8","2","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0411","0.0318","","","0.0774","0.0833","","","","","","1.042","","","","has coordinates,has Fobs","256763","2020-10-21","18:00:00",""
"2108673","8.966","0.002","8.966","0.002","15.462","0.004","90","","90","","90","","1243","0.5","110","2","110","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H12 N4 O6 P2 -","- C6 H12 N4 O6 P2 -","- C24 H48 N16 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0326","0.0284","","","0.0631","0.0646","","","","","","1.084","","","","has coordinates,has Fobs","256763","2020-10-21","18:00:00",""
"2108674","6.49617","0.00009","7.41888","0.00018","23.587","0.0004","90","","92.9418","0.0013","90","","1135.26","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 F N3 O6 -","- C23 H26 F N3 O6 -","- C46 H52 F2 N6 O12 -","2","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0388","0.037","","","0.1002","0.1031","","","","","","1.031","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108675","6.428","0.003","6.987","0.003","52.001","0.009","90","","90","","90","","2335.5","1.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F N3 O8 -","- C23 H28 F N3 O8 -","- C92 H112 F4 N12 O32 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.1661","0.1428","","","0.3683","0.3967","","","","","","1.652","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108676","4.7535","0.0003","15.801","0.0006","29.855","0.0011","90","","90","","90","","2242.41","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F N3 O8 -","- C23 H26 F N3 O8 -","- C92 H104 F4 N12 O32 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0534","0.0418","","","0.1114","0.1216","","","","","","1.021","","","","has coordinates","256764","2020-10-21","18:00:00",""
"2108677","30.3989","0.0002","16.1024","0.00015","9.66944","0.00007","90","","90","","90","","4733.14","0.06","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H54.5 F2 N6 O17.25 -","- C46 H54.5 F2 N6 O17.25 -","- C184 H218 F8 N24 O69 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0454","0.0443","","","0.1322","0.1339","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","256764","2020-10-21","18:00:00",""
"2108678","16.78184","0.00017","15.47624","0.0002","19.5982","0.00018","90","","105.758","0.001","90","","4898.74","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 F N3 O10 -","- C23 H28 F N3 O10 -","- C184 H224 F8 N24 O80 -","8","4","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0447","0.0431","","","0.1208","0.1234","","","","","","1.038","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108679","11.8817","0.0003","8.19277","0.00017","10.3237","0.0002","90","","101.597","0.0013","90","","984.43","0.04","293","","293","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu Ge9 O24 Sr5 -","- Cu Ge9 O24 Sr5 -","- Cu2 Ge18 O48 Sr10 -","2","0.5","","Klein, Holger; Kodjikian, Stéphanie; Philippe, Rémy; Ding, Lei; Colin, Claire V.; Darie, Céline; Bordet, Pierre","Three different Ge environments in a new Sr~5~CuGe~9~O~24~ phase synthesized at high pressure and high temperature","Acta Crystallographica Section B","2020","76","5","727","732","10.1107/S2052520620008914","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0276","0.0272","","0.0299","0.0299","","","","1.55","","","","","","","has coordinates","258185","2020-10-21","18:00:00",""
"2108680","29.1612","0.0004","9.207","0.0001","4.7387","0.0001","90","","90","","90","","1272.28","0.03","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-ascorbic acid picolinic acid cocrystal","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","PX5026","Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.","A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012421","","","0.71073","MoKα","","0.0351","0.0324","","","0.084","0.0863","","","","","","1.047","","","","has coordinates,has Fobs","258720","2020-11-04","05:00:56",""
"2108681","29.0583","0.0002","9.15479","0.00008","4.70223","0.00004","90","","90","","90","","1250.9","0.018","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-ascorbic acid picolinic acid cocrystal","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","","Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.","A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012421","","","0.71073","MoKα","","0.0289","0.0276","","","0.0765","0.0778","","","","","","1.066","","","","has coordinates,has Fobs","258720","2020-11-04","05:00:57",""
"2108682","16.1681","0.0013","16.261","0.0013","13.7893","0.0011","90","","110.508","0.001","90","","3395.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[triaqua[μ~6~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)]","","- C16 H12 O12 Zn2 -","- C16 H12 O12 Zn2 -","- C128 H96 O96 Zn16 -","8","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0238","0.0207","","","0.054","0.0554","","","","","","1.067","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:35",""
"2108683","10.07","0.003","12.144","0.003","14.172","0.004","104.63","0.005","105.637","0.005","109.156","0.005","1461.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[1,4-bis(1<it>H</it>-imidazol-1-yl)benzene][μ~4~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)]","","- C28 H20 N4 O11 Zn2 -","- C28 H20 N4 O11 Zn2 -","- C56 H40 N8 O22 Zn4 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0834","0.0565","","","0.1455","0.1589","","","","","","0.993","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:37",""
"2108684","7.8759","0.0008","8.0318","0.0008","20.59","0.002","86.441","0.002","88.986","0.001","72.182","0.002","1237.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua(μ-4,4'-bipyridine)[μ~5~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)] monohydrate]","","- C26 H20 N2 O12 Zn2 -","- C26 H20 N2 O12 Zn2 -","- C52 H40 N4 O24 Zn4 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.04","0.0319","","","0.073","0.0786","","","","","","1.043","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:38",""
"2108685","11.2042","0.0004","11.2728","0.0005","11.7208","0.0004","109.537","0.001","97.561","0.001","110.368","0.001","1255.34","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~7~-3-(3,5-dicarboxylatophenoxy)phthalato](1,10-phenanthroline)dicadmium(II)]","","- C28 H14 Cd2 N2 O9 -","- C28 H14 Cd2 N2 O9 -","- C56 H28 Cd4 N4 O18 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0247","0.0236","","","0.0597","0.0603","","","","","","1.141","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:38",""
"2108686","9.2229","0.0008","12.2226","0.001","13.073","0.0011","112.261","0.005","106.134","0.005","97.765","0.006","1261.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ-aqua-(μ-4,4'-bipyridine)[μ~5~-3-(3-carboxy-5-carboxylatophenoxy)phthalato]-μ~3~-hydroxido-dinickel(II)]","","- C26 H18 N2 Ni2 O11 -","- C26 H18 N2 Ni2 O11 -","- C52 H36 N4 Ni4 O22 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","1.54178","CuKα","","0.0534","0.0486","","","0.1413","0.1456","","","","","","1.051","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:39",""
"2108687","31.055","0.009","23.792","0.006","16.54","0.004","90","","94.255","0.005","90","","12187","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetrakis[μ-1,4-bis(pyridin-4-yl)benzene]bis[μ~5~-3-(3,5-dicarboxylatophenoxy)phthalato]tetracobalt(II)] bis[1,4-bis(pyridin-4-yl)benzene]]","","- C128 H85 Co4 N12 O18 -","- C128 H84 Co4 N12 O18 -","- C512 H336 Co16 N48 O72 -","4","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.1677","0.106","","","0.2474","0.28","","","","","","1","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:39",""
"2108688","12.068","0.002","14.523","0.003","14.662","0.003","68.654","0.003","79.061","0.003","75.13","0.003","2300","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridin-4-yl)benzene][μ-4-(3,5-dicarboxylatophenoxy)phthalato]dicobalt(II)]","","- C48 H32 Co2 N4 O10 -","- C48 H32 Co2 N4 O10 -","- C96 H64 Co4 N8 O20 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0657","0.0457","","","0.1368","0.1505","","","","","","1","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:40",""
"2108689","7.4313","0.0001","9.6383","0.0001","29.8978","0.0003","90","","90","","90","","2141.43","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","","Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof","Charge density analysis of abiraterone acetate","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013244","","x-ray","0.71073","MoKα","","0.0598","0.0555","","","0.1246","0.1268","","","","","","1.067","","","","has coordinates","259106","2020-11-12","05:13:46",""
"2108690","7.4313","0.0001","9.6383","0.0001","29.8978","0.0003","90","","90","","90","","2141.43","0.04","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","abiraterone acetate","17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","","Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof","Charge density analysis of abiraterone acetate","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013244","","","0.71073","MoKα","","0.043","0.04","","","","0.031","","","","","","1.58","","","","has coordinates,has Fobs","259106","2020-11-12","05:13:47",""
"2108691","3.959","0.002","13.453","0.007","3.969","0.002","90","","90","","90","","211.39","0.19","293","","293","","","","","","","","","4","I m m m","-I 2 2","71","","","","- B Bi4 I O7 -","- B Bi4 I O7 -","- B Bi4 I O7 -","1","0.0625","","Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia","The first bismuth borate oxyiodide, Bi~4~BO~7~I: commensurate or incommensurate?","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012640","","x-ray","0.71073","MoKα","","0.1082","0.0325","","","0.0301","0.041","","","","1.39","1.39","1.1","","","","has coordinates,has Fobs","259107","2020-11-12","05:14:19",""
"2108692","5.558528","","7.837216","","5.547272","","90","","90","","90","","241.658","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.1 Fe La0.9 O3 -","- Ca0.104583 Fe La0.895417 O3 -","- Ca0.418332 Fe4 La3.58167 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0460144","1.60464","","","","","","","has coordinates","259224","2020-11-24","05:07:20",""
"2108693","5.506428","","7.77618","","5.529845","","90","","90","","90","","236.782","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.4 Fe La0.6 O3 -","- Ca0.4 Fe La0.6 O3 -","- Ca1.6 Fe4 La2.4 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.036557","1.48223","","","","","","","has coordinates","259224","2020-11-24","05:07:25",""
"2108694","5.568011","","7.756535","","5.451495","","90","","90","","90","","235.442","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.1 Fe Nd0.9 O3 -","- Ca0.1 Fe Nd0.9 O3 -","- Ca0.4 Fe4 Nd3.6 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0425535","1.37614","","","","","","","has coordinates","259224","2020-11-24","05:07:28",""
"2108695","5.533425","","7.725984","","5.448728","","90","","90","","90","","232.939","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.4 Fe Nd0.6 O3 -","- Ca0.396764 Fe Nd0.603236 O3 -","- Ca1.58706 Fe4 Nd2.41294 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0111142","1.17277","","","","","","","has coordinates","259224","2020-11-24","05:07:37",""
"2108696","7.860187","","7.839117","","7.860187","","90","","89.7476","","90","","484.316","","0","","","","","","","","","","","4","P 1","P 1","1","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.12 Fe La0.88 O3 -","- Ca0.125 Fe La0.875 O3 -","- Ca Fe8 La7 O24 -","8","8","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108697","5.570218","","7.839117","","5.545738","","90","","90","","90","","242.158","","0","","","","","","","","","","","4","P -1","-P 1","2","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.5 Fe La0.5 O3 -","- Ca0.5 Fe La0.5 O3 -","- Ca2 Fe4 La2 O12 -","4","2","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108698","7.793071","","7.757502","","7.793071","","90","","88.7865","","90","","471.023","","0","","","","","","","","","","","4","P 1","P 1","1","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.12 Fe Nd0.88 O3 -","- Ca0.125 Fe Nd0.875 O3 -","- Ca Fe8 Nd7 O24 -","8","8","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108699","5.56858","","7.757502","","5.451869","","90","","90","","90","","235.511","","0","","","","","","","","","","","4","P -1","-P 1","2","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.5 Fe Nd0.5 O3 -","- Ca0.5 Fe Nd0.5 O3 -","- Ca2 Fe4 Nd2 O12 -","4","2","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108700","4.5226","0.0006","4.5226","0.0006","9.147","0.001","90","","90","","90","","187.09","0.04","296","1","296","1","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lanthanum telluride (1/1.933)","","- La Te1.933 -","- La Te1.933 -","- La2 Te3.866 -","2","0.125","","Poddig, Hagen; Doert, Thomas","Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd)","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013797","","x-ray","0.71073","MoKα","","0.0189","0.0189","","","0.0433","0.0433","","","","","","1.248","","","","has coordinates,has Fobs","259225","2020-11-24","05:09:23",""
"2108701","4.4535","0.0005","4.4535","0.0005","9.047","0.001","90","","90","","90","","179.44","0.03","296","1","296","1","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Praseodymium telluride (1/1.942)","","- Pr Te1.942 -","- Pr Te1.942 -","- Pr2 Te3.884 -","2","0.125","","Poddig, Hagen; Doert, Thomas","Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd)","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013797","","x-ray","0.71073","MoKα","","0.0292","0.0292","","","0.0564","0.0564","","","","","","","","","","has coordinates,has Fobs","259225","2020-11-24","05:09:24",""
"2108702","4.4274","0.0006","4.4274","0.0006","9.029","0.001","90","","90","","90","","176.99","0.04","296","1","296","1","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Neodymium telluride (1/1.923)","","- Nd Te1.923 -","- Nd Te1.923 -","- Nd2 Te3.846 -","2","0.125","","Poddig, Hagen; Doert, Thomas","Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd)","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013797","","x-ray","0.71073","MoKα","","0.0237","0.0237","","","0.042","0.042","","","","","","","","","","has coordinates,has Fobs","259225","2020-11-24","05:09:24",""
"2108703","8.1016","0.0019","18.473","0.004","9.04","0.02","90","","95.91","0.06","90","","1346","3","296","2","296","","140000","","140000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.213","0.0587","","","0.0608","0.0884","","","","","","1.031","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:10",""
"2108704","8.089","0.007","18.4614","0.0016","9.074","0.009","90","","96.08","0.11","90","","1347.4","1.8","296","2","296","2","150000","","150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.112","0.0725","","","0.1984","0.2339","","","","","","1.098","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:12",""
"2108705","8.053","0.016","18.47","0.003","9.044","0.017","90","","95.4","0.2","90","","1339","4","296","2","296","2","200000","","200000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1426","0.0783","","","0.2018","0.2498","","","","","","1.057","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:12",""
"2108706","7.982","0.002","18.318","0.003","8.964","0.002","90","","95.08","0.02","90","","1305.5","0.5","296","2","296","2","540000","","540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1195","0.0788","","","0.2108","0.2571","","","","","","1.073","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:12",""
"2108707","7.965","0.003","18.251","0.002","8.929","0.007","90","","94.85","0.06","90","","1293.4","1.1","296","2","296","2","650000","","650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1483","0.0563","","","0.1204","0.1656","","","","","","0.999","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108708","7.918","0.015","18.223","0.002","8.897","0.014","90","","94.6","0.2","90","","1280","3","296","2","296","2","770000","","770000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1114","0.0714","","","0.1981","0.231","","","","","","1.077","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108709","7.897","0.002","18.1579","0.0018","8.874","0.005","90","","94.54","0.05","90","","1268.5","0.8","296","2","296","2","850000","","850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.112","0.0388","","","0.0543","0.0702","","","","","","0.98","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108710","7.8356","0.0016","18.074","0.003","8.88","0.03","90","","94.24","0.07","90","","1254","4","296","2","296","2","1020000","","1020000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1858","0.0764","","","0.1475","0.1976","","","","","","1.082","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108711","7.84","0.012","18.094","0.002","8.82","0.011","90","","94.13","0.16","90","","1248","2","296","2","296","2","1110000","","1110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1196","0.0793","","","0.2074","0.2387","","","","","","1.1","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108712","7.7755","0.0016","18.017","0.003","8.75","0.03","90","","93.53","0.09","90","","1223","4","296","2","296","2","1400000","","1400000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1677","0.0775","","","0.164","0.2055","","","","","","1.12","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108713","28.1674","0.0005","28.1674","0.0005","4.15209","0.00011","90","","90","","90","","3294.28","0.12","296","0.1","296","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.3 -","- C6 H5 N7 O0.3 -","- C96 H80 N112 O4.8 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0407","0.0371","","","0.1033","0.1077","","","","","","1.048","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108714","28.1659","0.0003","28.1659","0.0003","4.12335","0.00008","90","","90","","90","","3271.13","0.08","250","0.1","250","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0374","0.0346","","","0.0974","0.1009","","","","","","1.037","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108715","28.1314","0.0004","28.1314","0.0004","4.09378","0.0001","90","","90","","90","","3239.72","0.1","200","0.1","200","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0376","0.0351","","","0.0976","0.1009","","","","","","1.043","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108716","28.1081","0.0004","28.1081","0.0004","4.06918","0.00011","90","","90","","90","","3214.92","0.11","150","0.1","150","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0374","0.0351","","","0.0947","0.0971","","","","","","1.04","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108717","28.0757","0.0005","28.0757","0.0005","4.04859","0.00012","90","","90","","90","","3191.28","0.12","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0368","0.0353","","","0.0965","0.098","","","","","","1.048","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108718","28.275","0.003","28.275","0.003","4.1124","0.0012","90","","90","","90","","3287.8","1.1","296","2","296","2","100000","","100000","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.5 -","- C6 H5 N7 O0.5 -","- C96 H80 N112 O8 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1997","0.0798","","","0.1513","0.1986","","","","","","1.089","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108719","28.18","0.006","28.18","0.006","4.0701","0.0017","90","","90","","90","","3232.1","1.7","296","2","296","2","230000","","230000","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.6 -","- C6 H5 N7 O0.6 -","- C96 H80 N112 O9.6 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1858","0.0827","","","0.1868","0.234","","","","","","1.075","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108720","27.972","0.006","27.972","0.006","3.9991","0.0008","90","","90","","90","","3129","1.1","296","2","296","2","580000","","580000","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.5 -","- C6 H5 N7 O0.5 -","- C96 H80 N112 O8 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.3085","0.0843","","","0.1658","0.2482","","","","","","0.963","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108721","54.285","0.005","5.5843","0.0003","14.8411","0.001","90","","90","","90","","4499","0.6","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H34 O2 S -","- C25 H34 O2 S -","- C200 H272 O16 S8 -","8","2","DK5101","Deptuch, Aleksandra; Jaworska-Gołab, Teresa; Kusz, Joachim; Ksiażek, Maria; Nagao, Keigo; Matsumoto, Takashi; Yamano, Akihito; Ossowska-Chruściel, Mirosława D.; Chruściel, Janusz; Marzec, Monika","Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014481","","","1.54178","CuKα","","0.1542","0.115","","","0.2656","0.2987","","","","","","1.052","","","","has coordinates,has Fobs","259227","2020-11-24","05:12:01",""
"2108722","7.4598","0.0002","7.4598","0.0002","7.4598","0.0001","90","","90","","90","","415.128","0.017","88","1","88","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0099","0.0099","","","0.0133","0.0133","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:26",""
"2108723","7.46","0.0002","7.46","0.0002","7.46","0.0001","90","","90","","90","","415.161","0.017","99.91","0.19","99.91","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.01","0.01","","","0.0138","0.0138","","","","1.06","1.06","1.06","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108724","7.4602","0.0002","7.4602","0.0002","7.4602","0.0001","90","","90","","90","","415.194","0.017","109.99","0.12","109.99","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0159","0.0159","","","","1","1","1","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108725","7.4603","0.0002","7.4603","0.0002","7.4603","0.0002","90","","90","","90","","415.211","0.019","119.9","0.3","119.9","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0081","0.0081","","","0.0107","0.0107","","","","1.02","1.02","1.02","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108726","7.4584","0.0003","7.4584","0.0002","7.4584","0.0002","90","","90","","90","","414.89","0.02","130.02","0.15","130.02","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0114","0.0114","","","0.0167","0.0167","","","","1.05","1.05","1.05","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108727","7.4585","0.0002","7.4585","0.0002","7.4585","0.0001","90","","90","","90","","414.911","0.017","139.9","0.3","139.9","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0116","0.0116","","","0.0164","0.0164","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108728","7.4599","0.0002","7.4599","0.0002","7.4599","0.0001","90","","90","","90","","415.144","0.017","159.97","0.1","159.97","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0106","0.0106","","","0.014","0.014","","","","1.08","1.08","1.08","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108729","7.4608","0.00003","7.4608","0.00003","7.4608","0.00002","90","","90","","90","","415.295","0.003","200.01","0.18","200","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0116","0.0116","","","0.0161","0.0161","","","","1.08","1.08","1.08","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108730","7.4629","0.0001","7.4629","0.0001","7.4629","0.0001","90","","90","","90","","415.645","0.01","293","0.1","293","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0163","0.0163","","","0.0229","0.0229","","","","1.01","1.01","1.01","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108731","5.1732","0.0018","8.286","0.003","22.264","0.008","90","","90","","90","","954.3","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Methylhippuric acid polymorph I","2-[(4-Methylbenzoyl)amino]ethanoic acid","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E.","Two conformational polymorphs of 4-methylhippuric acid","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013773","","","0.71073","MoKα","","0.0296","0.027","","","0.0692","0.0713","","","","","","1.031","","","","has coordinates,has Fobs","259229","2020-11-24","05:14:06",""
"2108732","9.59","0.003","8.67","0.003","23.811","0.007","90","","94.364","0.01","90","","1974","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylhippuric acid polymorph II","2-[(4-Methylbenzoyl)amino]ethanoic acid","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","2","","Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E.","Two conformational polymorphs of 4-methylhippuric acid","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013773","","","0.71073","MoKα","","0.1086","0.0486","","","0.0988","0.1217","","","","","","1.023","","","","has coordinates,has Fobs","259229","2020-11-24","05:14:07",""
"2108733","9.4054","0.0008","10.4228","0.0011","11.9607","0.0008","96.683","0.004","95.288","0.003","104.474","0.003","1118.59","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","C17 H20 N4 S, C6 H6 O","","- C23 H26 N4 O S -","- C23 H26 N4 O S -","- C46 H52 N8 O2 S2 -","2","1","","Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro","A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012779","","","0.0335","electron","","0.3896","0.314","","","0.5996","0.6255","","","","","","3.016","","","","has coordinates,has Fobs","259230","2020-11-24","05:14:35",""
"2108734","9.4051","0.0009","10.4236","0.0011","11.9619","0.0008","96.686","0.004","95.2878","0.0027","104.474","0.003","1118.74","0.18","","","300","","","","100","","","","","5","P -1","-P 1","2","","","","- C23 H26 N4 O S -","- C23 H26 N4 O S -","- C46 H52 N8 O2 S2 -","2","1","","Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro","A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012779","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.03019","","0.03512","","2.931","","","","","","","has coordinates","259230","2020-11-24","05:14:36",""
"2109072","5.8522","0.0008","8.236","0.003","5.867","0.005","90","","90","","90","","282.8","0.3","443","","443","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Hf O3 Pb -","- Hf O3 Pb -","- Hf4 O12 Pb4 -","4","0.25","","Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry","Incommensurate crystal structure of PbHfO~3~","Acta Crystallographica Section B","2020","76","1","7","12","10.1107/S205252061901494X","","x-ray","0.77865","synchrotron","","0.0456","0.0432","","","0.1305","0.1326","","","","4.4","4.4","3.69","","","","has coordinates,has Fobs","278858","2022-10-28","14:35:32",""
"2243214","9.6158","0.0005","19.8846","0.0011","10.3773","0.0006","90","","93.712","0.002","90","","1980.04","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Methyl-5-phenoxy-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","1","ZL2765","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly","Acta Crystallographica Section E","2020","76","1","48","52","10.1107/S205698901901658X","","","0.71073","MoKα","","0.0809","0.042","","","0.0948","0.1165","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","245307","2020-10-21","18:00:00",""
"2243215","9.4336","0.0004","20.6071","0.0009","10.5866","0.0004","90","","93.106","0.002","90","","2055","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[3-Methyl-5-(2-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-(thiophen-2-yl)prop-2-en-1-one","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","ZL2765","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly","Acta Crystallographica Section E","2020","76","1","48","52","10.1107/S205698901901658X","","","0.71073","MoKα","","0.0912","0.0446","","","0.1105","0.1417","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","245307","2020-10-21","18:00:00",""
"2243216","7.265","0.0007","32.864","0.003","5.8446","0.0006","90","","92.277","0.002","90","","1394.3","0.2","200","","200.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(3-Iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one","","- C15 H10 I2 O -","- C15 H10 I2 O -","- C60 H40 I8 O4 -","4","1","IS5526","Spruce, Kieran J.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Cremeens, Matthew E.; D'ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Gabrielle I.; Warren, Stephen D.; Hall, Simon R.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(3-iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2020","76","1","72","76","10.1107/S2056989019016402","","","0.71073","MoKα","","0.0402","0.037","","","0.0721","0.0731","","","","","","1.273","","","","has coordinates,has Fobs","245308","2020-10-21","18:00:00",""
"2243217","14.985","0.002","6.0116","0.0009","19.106","0.003","90","","106.796","0.005","90","","1647.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(Anthracen-9-yl)methyl]amino}benzoic acid","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Ahmed, Adeeba; Faizi, Md. Serajul Haque; Ahmad, Aiman; Ahmad, Musheer; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid","Acta Crystallographica Section E","2020","76","1","62","65","10.1107/S2056989019016207","","","0.71073","MoKα","","0.0865","0.0482","","","0.1069","0.1407","","","","","","1.1227","","","","has coordinates,has Fobs","245309","2020-10-21","18:00:00",""
"2243218","10.4234","0.0004","14.3123","0.0005","13.6047","0.0005","90","","103.154","0.003","90","","1976.34","0.13","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C16 H30 Mn N2 O4 -","- C16 H30 Mn N2 O4 -","- C64 H120 Mn4 N8 O16 -","4","1","WM5524","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.0431","0.0344","","","0.0886","0.099","","","","","","1.06","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243219","10.2021","0.0003","15.4708","0.0004","12.4881","0.0004","90","","95.382","0.003","90","","1962.37","0.1","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II)","","- C16 H30 Fe N2 O4 -","- C16 H30 Fe N2 O4 -","- C64 H120 Fe4 N8 O16 -","4","1","","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.0405","0.0311","","","0.0798","0.0862","","","","","","1.037","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243220","10.2335","0.0003","14.2134","0.0006","13.6738","0.0005","90","","101.208","0.003","90","","1950.96","0.12","200","","200.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C16 H30 N2 O4 Zn -","- C16 H30 N2 O4 Zn -","- C64 H120 N8 O16 Zn4 -","4","1","","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.033","0.0268","","","0.0744","0.0761","","","","","","1.068","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243221","8.8137","0.001","10.4801","0.0012","15.0785","0.0017","85.684","0.007","77.984","0.007","84.965","0.007","1354.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II)","","- C28 H18 Cl4 Co N4 O2 -","- C28 H18 Cl4 Co N4 O2 -","- C56 H36 Cl8 Co2 N8 O4 -","2","1","HB7872","Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue","Acta Crystallographica Section E","2020","76","1","53","61","10.1107/S2056989019016529","","","0.71073","MoKα","","0.079","0.0452","","","0.0976","0.1115","","","","","","1.038","","","","has coordinates,has Fobs","245311","2020-10-21","18:00:00",""
"2243222","8.13","0.0007","8.5072","0.0011","9.7386","0.0013","83.24","0.004","87.646","0.003","81.533","0.004","661.39","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)copper(II)","","- C28 H18 Cl4 Cu N4 O2 -","- C28 H18 Cl4 Cu N4 O2 -","- C28 H18 Cl4 Cu N4 O2 -","1","0.5","HB7872","Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue","Acta Crystallographica Section E","2020","76","1","53","61","10.1107/S2056989019016529","","","0.71073","MoKα","","0.0394","0.0326","","","0.0877","0.0933","","","","","","1.046","","","","has coordinates,has Fobs","245311","2020-10-21","18:00:00",""
"2243223","9.0872","0.0002","21.1012","0.0004","11.7134","0.0002","90","","112.654","0.001","90","","2072.77","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-[(1-benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one monohydrate","","- C24 H23 N5 O2 -","- C24 H23 N5 O2 -","- C96 H92 N20 O8 -","4","1","LH5940","Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one monohydrate","Acta Crystallographica Section E","2020","76","1","95","101","10.1107/S2056989019016876","","","1.54178","CuKα","","0.0682","0.0475","","","0.1018","0.1126","","","","","","1.056","","","","has coordinates,has Fobs","245478","2020-10-21","18:00:00",""
"2243224","16.9457","0.0008","9.6453","0.0005","12.1052","0.0006","90","","116.986","0.001","90","","1763.12","0.15","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2,5-Trimethyl-1,3-dioxane-5-carboxylic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C64 H112 O32 -","8","1","HB7867","Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.","Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride","Acta Crystallographica Section E","2020","76","1","86","90","10.1107/S2056989019016670","","","0.71073","MoKα","","0.0437","0.0391","","","0.1098","0.1131","","","","","","1.066","","","","has coordinates,has Fobs","245479","2020-10-21","18:00:00",""
"2243225","10.355","0.004","11.928","0.005","14.496","0.006","73.128","0.005","84.9","0.005","89.499","0.006","1706.3","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2,5-Trimethyl-1,3-dioxane-5-carboxylic anhydride","","- C16 H26 O7 -","- C16 H26 O7 -","- C64 H104 O28 -","4","2","HB7867","Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.","Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride","Acta Crystallographica Section E","2020","76","1","86","90","10.1107/S2056989019016670","","","0.71073","MoKα","","0.046","0.0399","","","0.1031","0.1088","","","","","","1.038","","","","has coordinates,has Fobs","245479","2020-10-21","18:00:00",""
"2243226","20.2125","0.0008","9.6926","0.0004","10.1458","0.0003","90","","100.445","0.001","90","","1954.74","0.13","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1<i>R</i>*, 8<i>S</i>)-2-acetamidooctahydropyrrolizin-4-ium chloride‒<i>N</i>-[(1<i>R</i>, 8<i>S</i>)hexahydro-1<i>H</i>-pyrrolizin-2-yl)acetamide (1/1)","","- C18 H33 Cl N4 O2 -","- C18 H33 Cl N4 O2 -","- C72 H132 Cl4 N16 O8 -","4","0.5","HB7870","Bhardwaj, Minakshi; Ai, Qianxiang; Parkin, Sean R.; Grossman, Robert B.","An unusually short intermolecular N—H···N hydrogen bond in crystals of the hemi-hydrochloride salt of 1-<i>exo</i>-acetamidopyrrolizidine","Acta Crystallographica Section E","2020","76","1","77","81","10.1107/S2056989019016517","","","0.71073","MoKα","","0.0397","0.0371","","","0.0942","0.096","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","245480","2020-10-21","18:00:00",""
"2243227","15.954","0.004","5.4599","0.0012","28.397","0.006","90","","92.299","0.005","90","","2471.6","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis{4-[(2-hydroxy-3-nitro-5-methoxybenzylidene)amino]phenyl} ether","2-[<i>N</i>-(4-{4-[(2-Hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenoxy}phenyl)carboximidoyl]-4-methoxy-6-nitrophenol","","- C28 H22 N4 O9 -","- C28 H22 N4 O9 -","- C112 H88 N16 O36 -","4","0.5","RZ5267","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Mohiuddin, Md.; Sarker, Md. Sohug; Salim, Mohammad; Alam, Md. Mahbubul","Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether","Acta Crystallographica Section E","2020","76","1","91","94","10.1107/S2056989019016852","","","0.71073","MoKα","","0.1041","0.0996","","","0.3485","0.3525","","","","","","1.148","","","","has coordinates,has Fobs","245481","2020-10-21","18:00:00",""
"2243228","26.7742","0.0016","20.8916","0.0014","8.4254","0.0005","90","","93.46","0.003","90","","4704.2","0.5","100.15","","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(2-nitrobenzoate)","","- C18 H28 Cu N6 O10 -","- C18 H28 Cu N6 O10 -","- C144 H224 Cu8 N48 O80 -","8","2","LH5937","Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate","Acta Crystallographica Section E","2020","76","1","111","114","10.1107/S2056989019016669","","","0.71073","MoKα","","0.069","0.0557","","","0.1267","0.1379","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","245574","2020-10-21","18:00:00",""
"2243229","26.637","0.0009","10.7617","0.0004","20.2108","0.0007","90","","121.932","0.001","90","","4916.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(1<i>R</i>,4<i>S</i>)-1,7,7-Trimethyl-2-oxobicyclo[2.2.1]heptan-3-\ ylidene]hydrazinecarbothioamide‒\ 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-\ ylidene]hydrazinecarbothioamide (1/1)","","- C11 H17 N3 O S -","- C11 H17 N3 O S -","- C176 H272 N48 O16 S16 -","16","2","","Pires, Fabrício Carvalho; Bresolin, Leandro; Gervini, Vanessa Carratu; Tirloni, Bárbara; Bof de Oliveira, Adriano","Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1<i>R</i>,4<i>S</i>)- and 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2020","76","1","115","120","10.1107/S2056989019016980","","x-ray","1.54178","CuKα","","0.043","0.043","","","0.1122","0.1122","","","","","","1.066","","","","has coordinates,has Fobs","245575","2020-10-21","18:00:00",""
"2243230","9.6543","0.0002","9.9235","0.0002","14.167","0.0003","100.755","0.002","108.318","0.002","95.617","0.002","1247.9","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide; bis(benzoic acid)","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C56 H52 N8 O12 -","2","1","HB7875","Tan, Sang Loon; Tiekink, Edward R. T.","The 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","1","102","110","10.1107/S2056989019016840","","","1.54184","CuKα","","0.0373","0.0338","","","0.0896","0.0932","","","","","","1.018","","","","has coordinates,has Fobs","245576","2020-10-21","18:00:00",""
"2243231","11.9227","0.0005","12.1592","0.0006","14.9217","0.0007","104.293","0.003","101.701","0.003","112.585","0.003","1825.27","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-μ~4~-pentathiodiantimonato] tetrahydrate]","","- C30 H30 Mn2 N6 O4 S5 Sb2 -","- C30 H30 Mn2 N6 O4 S5 Sb2 -","- C60 H60 Mn4 N12 O8 S10 Sb4 -","2","1","LH5938","Danker, Felix; Näther, Christian; Bensch, Wolfgang","Synthesis and crystal structure of <i>catena</i>-poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-μ~4~-pentathiodiantimonato] tetrahydrate] showing a 1D MnSbS network","Acta Crystallographica Section E","2020","76","1","32","37","10.1107/S2056989019016268","","","0.71073","MoKα","","0.0655","0.054","","","0.1729","0.1823","","","","","","1.067","","","","has coordinates,has Fobs","246415","2020-10-21","18:00:00",""
"2243232","4.8718","0.0001","15.9511","0.0001","13.9575","0.0001","90","","96.945","0.001","90","","1076.69","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]bis{(thiocyanato-κ<i>S</i>)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]silver(I)}","","- C10 H12 Ag2 N14 S6 -","- C10 H12 Ag2 N14 S6 -","- C20 H24 Ag4 N28 S12 -","2","0.5","HB7868","Kreaunakpan, Janjira; Chainok, Kittipong; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Pirojsirikul, Teerapong; Saithong, Saowanit","Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","1","42","47","10.1107/S2056989019016359","","x-ray","1.54184","CuKα","","0.0255","0.0252","","","0.066","0.0661","","","","","","1.174","","","","has coordinates,has Fobs","246416","2020-10-21","18:00:00",""
"2243233","12.4962","0.0005","9.9237","0.0004","29.5925","0.0015","90","","90","","90","","3669.7","0.3","293.2","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","","- C15 H22 N4 O5 S -","- C15 H22 N4 O5 S -","- C120 H176 N32 O40 S8 -","8","1","","Ivachtchenko, Alexandre V.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Mitkin, Oleg D.; Ivanov, Vladimir V.; Langer, Thierry","Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","Acta Crystallographica Section E","2020","76","1","12","17","10.1107/S2056989019015986","","x-ray","0.71073","MoKα","","0.0652","0.0496","","","0.1175","0.1268","","","","","","1.06","","","","has coordinates,has Fobs","246417","2020-10-21","18:00:00",""
"2243234","16.456","0.007","10.42","0.002","26.391","0.007","90","","90.031","0.012","90","","4525","2","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]-6-phenylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H19 Cl N4 S -","- C26 H19 Cl N4 S -","- C208 H152 Cl8 N32 S8 -","8","2","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.0908","0.0596","","","0.1506","0.1765","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243235","15.34","0.001","11.1619","0.0007","15.385","0.001","90","","119.48","0.01","90","","2293.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzyl)-6-(4-fluorophenyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H18 Cl F N4 S -","- C26 H18 Cl F N4 S -","- C104 H72 Cl4 F4 N16 S4 -","4","1","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.093","0.0495","","","0.1123","0.131","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243236","9.5735","0.0008","9.686","0.0009","25.644","0.002","90","","90","","90","","2377.9","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","6-(4-Bromophenyl)-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H18 Br Cl N4 S -","- C26 H18 Br Cl N4 S -","- C104 H72 Br4 Cl4 N16 S4 -","4","1","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.0783","0.0447","","","0.0916","0.1001","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243237","8.7024","0.0003","9.8709","0.0004","13.1621","0.0005","90.3822","0.0019","108.961","0.0018","97.3571","0.0018","1059.08","0.07","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","2,2'-[(2-Nitrophenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-enone)","","- C23 H27 N O6 -","- C23 H27 N O6 -","- C46 H54 N2 O12 -","2","1","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0689","0.0542","","","0.1432","0.1543","","","","","","1.036","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243238","10.8854","0.0004","25.2446","0.001","15.3665","0.0006","90","","100.761","0.0019","90","","4148.4","0.3","100","2","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C184 H232 N8 O48 -","8","2","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0456","0.0392","","","0.1025","0.1077","","","","","","1.039","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243239","11.6527","0.0003","18.1986","0.0004","12.3435","0.0003","90","","114.876","0.0012","90","","2374.74","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(anthracen-9-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C116 H116 N4 O12 -","4","1","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0672","0.0484","","","0.1218","0.1346","","","","","","1.039","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243240","5.592","0.001","7.2162","0.0012","8.4021","0.0013","109.148","0.006","93.889","0.007","103.282","0.006","307.92","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,2,4-Triazolium hydrogen oxalate","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","WM5529","Ponjan, Nutcha; Aroonchat, Purita; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 1,2,4-triazolium hydrogen oxalate","Acta Crystallographica Section E","2020","76","2","137","140","10.1107/S2056989019017304","","x-ray","0.71073","MoKα","","0.0462","0.0371","","","0.0941","0.1018","","","","","","1.07","","","","has coordinates,has Fobs","246735","2020-10-21","18:00:00",""
"2243241","14.0717","0.0008","6.4811","0.0004","26.767","0.002","90","","90","","90","","2441.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-{[(3-Chlorophenyl)imino]methyl}-6-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","MW2154","Saraçoğlu, Hanife; Doğan, Onur Erman; Ağar, Tuğgan; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure, DFT and MEP study of (<i>E</i>)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","2","141","144","10.1107/S2056989019017353","","","0.71073","MoKα","","0.0493","0.0393","","","0.1114","0.1167","","","","","","1.047","","","","has coordinates,has Fobs","246736","2020-10-21","18:00:00",""
"2243242","6.8473","0.0001","12.5587","0.0002","19.809","0.0003","90","","90","","90","","1703.44","0.04","150.6","0.9","150.6","0.9","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(Adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H19 Br F N3 S -","- C18 H19 Br F N3 S -","- C72 H76 Br4 F4 N12 S4 -","4","1","XI2020","Abdelrazeq, Alaa S.; Ghabbour, Hazem A.; El-Emam, Ali A.; Osman, Doaa Ahmed; Garcia-Granda, Santiago","Synthesis and crystal structure of 3-(adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","2","162","166","10.1107/S2056989020000092","","x-ray","1.54184","CuKα","","0.0412","0.0347","","","0.0776","0.0812","","","","","","1.051","","","","has coordinates,has Fobs","246737","2020-10-21","18:00:00",""
"2243243","7.9698","0.0005","10.1104","0.0006","11.5208","0.0007","113.461","0.002","105.685","0.003","91.805","0.002","809.63","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-trihydro(pentafluoropheny)borato-tetrakis(tetrahydrofuran)disodium","","- C28 H38 B2 F10 Na2 O4 -","- C28 H38 B2 F10 Na2 O4 -","- C28 H38 B2 F10 Na2 O4 -","1","0.5","IS5529","Tanaka, Ryo; Shiono, Takeshi","Crystal structure of di-μ-trihydro(pentafluorophenyl)borato-tetrakis(tetrahydrofuran)disodium","Acta Crystallographica Section E","2020","76","2","145","147","10.1107/S2056989019017201","","","0.71069","MoKα","","0.0506","0.0469","","","0.1411","0.1463","","","","","","1.075","","","","has coordinates,has Fobs","246738","2020-10-21","18:00:00",""
"2243244","26.2059","0.0018","4.8119","0.0003","12.8084","0.0009","90","","90","","90","","1615.14","0.19","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-[(1-Chloro-3,4-dihydronaphthalen-2-yl)methylidene]\ benzohydrazide monohydrate","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","IS5528","Arjun, H. A.; Anil Kumar, G. N.; Elancheran, R.; Kabilan, S.","Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2020","76","2","132","136","10.1107/S2056989019017183","","","0.71073","MoKα","","0.0894","0.045","","","0.1161","0.1514","","","","","","1.027","","","","has coordinates,has Fobs","246739","2020-10-21","18:00:00",""
"2243245","9.3322","0.0002","7.7341","0.0002","20.1143","0.0004","90","","90.002","0.002","90","","1451.77","0.06","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate","","- C12 H14 Cl2 Cu N2 O2 -","- C12 H14 Cl2 Cu N2 O2 -","- C48 H56 Cl8 Cu4 N8 O8 -","4","1","EX2027","Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio F.; Nossa González, Diana L.; Loaiza, Alix E.; Echeverría, Gustavo A.; Piro, Oscar E.; Tobón, Yeny A.; Ben Tayeb, Karima; Gómez Castaño, Jovanny A.","Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate","Acta Crystallographica Section E","2020","76","2","148","154","10.1107/S2056989019017213","","x-ray","0.71073","MoKα","","0.0525","0.0345","","","0.0704","0.0796","","","","","","1.039","","","","has coordinates","246740","2020-10-21","18:00:00",""
"2243246","7.4203","0.0002","10.3241","0.0003","18.4191","0.0006","90","","95.471","0.002","90","","1404.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O5 S -","- C12 H15 N3 O5 S -","- C48 H60 N12 O20 S4 -","4","1","HB7880","Tan, Sang Loon; Jotani, Mukesh M.; Tiekink, Edward R. T.","3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","2","155","161","10.1107/S2056989019017328","","","0.71073","MoKα","","0.0491","0.0371","","","0.0867","0.0933","","","","","","1.043","","","","has coordinates,has Fobs","246741","2020-10-21","18:00:00",""
"2243247","7.8325","0.0007","9.3406","0.0008","8.4471","0.0007","90","","108.727","0.002","90","","585.27","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium phosphate heptahydrate","","- D14 K3 O11 P -","- D14 K3 O11 P -","- D28 K6 O22 P2 -","2","1","HB7876","Weil, Matthias; Stöger, Berthold","Crystal structure of the deuterated heptahydrate of potassium phosphate, K~3~PO~4~·7D~2~O","Acta Crystallographica Section E","2020","76","2","177","179","10.1107/S2056989020000201","","x-ray","0.71073","MoKα","","0.0167","0.0156","","","0.0198","0.0201","","","","1.03","1.03","1.02","","","","has coordinates,has Fobs","246742","2020-10-21","18:00:00",""
"2243248","14.859","0.003","17.747","0.004","9.995","0.002","90","","101.06","0.03","90","","2586.8","1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(4-Methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","2","FF2164","Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.","Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","Acta Crystallographica Section E","2020","76","2","192","196","10.1107/S2056989020000055","","","0.80248","synchrotron","","0.0776","0.0601","","","0.1427","0.1574","","","","","","1.023","","","","has coordinates,has Fobs","246861","2020-10-21","18:00:00",""
"2243249","12.272","0.003","18.72","0.004","11.425","0.002","90","","115.85","0.003","90","","2362.1","0.9","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3,4-Bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","FF2164","Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.","Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","Acta Crystallographica Section E","2020","76","2","192","196","10.1107/S2056989020000055","","","0.71073","MoKα","","0.1222","0.0563","","","0.1072","0.1297","","","","","","0.992","","","","has coordinates,has Fobs","246861","2020-10-21","18:00:00",""
"2243250","4.6858","0.0002","5.9178","0.0003","9.0167","0.0004","84.889","0.002","87.284","0.002","80.785","0.002","245.68","0.02","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Strontium thiosulfate monohydrate","","- H2 O4 S2 Sr -","- H2 O4 S2 Sr -","- H4 O8 S4 Sr2 -","2","1","WM5535","Klein, Wilhelm","Crystal structure of strontium thiosulfate monohydrate","Acta Crystallographica Section E","2020","76","2","197","200","10.1107/S2056989020000353","","","0.71073","MoKα","","0.0247","0.0243","","","0.0609","0.0613","","","","","","1.102","","","","has coordinates,has Fobs","246998","2020-10-21","18:00:00",""
"2243251","15.5162","0.0007","6.8288","0.0003","24.5631","0.0012","90","","104.683","0.001","90","","2517.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloroform monosolvate","","- C45 H3 Br8 Cl3 F20 N4 -","- C45 H3 Br8 Cl3 F20 N4 -","- C90 H6 Br16 Cl6 F40 N8 -","2","1","TX2016","Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.","Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate","Acta Crystallographica Section E","2020","76","2","214","220","10.1107/S2056989020000432","","x-ray","0.71073","MoKα","","0.0241","0.0204","","","0.0422","0.0433","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","246999","2020-10-21","18:00:00",""
"2243252","21.524","0.009","9.545","0.004","26.02","0.011","90","","107.426","0.007","90","","5100","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin tetrahydrofuran monosolvate","","- C48 H10 Br8 F20 N4 O -","- C48 H10 Br8 F20 N4 O -","- C192 H40 Br32 F80 N16 O4 -","4","1","","Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.","Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate","Acta Crystallographica Section E","2020","76","2","214","220","10.1107/S2056989020000432","","x-ray","0.71073","MoKα","","0.0758","0.054","","","0.0891","0.0949","","","","","","1.208","","","","has coordinates,has disorder,has Fobs","246999","2020-10-21","18:00:00",""
"2243253","6.2502","0.0003","15.7915","0.0006","20.7395","0.0009","90","","90","","90","","2046.99","0.15","100","2","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4-Dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","ZL2767","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Gaspar, Alexandra; Mesiti, Francesco","The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","Acta Crystallographica Section E","2020","76","2","201","207","10.1107/S2056989020000298","","x-ray","0.71075","MoKα","","0.0513","0.0442","","","0.0915","0.0939","","","","","","1.078","","","","has coordinates,has Fobs","247000","2020-10-21","18:00:00",""
"2243254","9.655","0.002","5.882","0.0015","12.18","0.003","90","","96.275","0.003","90","","687.6","0.3","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","WM5537","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide","Acta Crystallographica Section E","2020","76","2","235","238","10.1107/S2056989020000535","","","0.71073","MoKα","","0.0383","0.0349","","","0.0896","0.0921","","","","","","1.043","","","","has coordinates,has Fobs","247001","2020-10-21","18:00:00",""
"2243255","7.5596","0.0002","9.7402","0.0003","20.5332","0.0007","90","","94.345","0.003","90","","1507.56","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-bromonicotinato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)","","- C24 H16 Br4 Cu2 N4 O10 -","- C24 H16 Br4 Cu2 N4 O10 -","- C48 H32 Br8 Cu4 N8 O20 -","2","0.5","HB7877","Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex","Acta Crystallographica Section E","2020","76","2","225","230","10.1107/S2056989020000390","","","0.71073","MoKα","","0.0544","0.0501","","","0.1308","0.1339","","","","","","1.058","","","","has coordinates,has Fobs","247002","2020-10-21","18:00:00",""
"2243256","12.6157","0.0003","16.9629","0.0004","22.2759","0.0006","90","","90","","90","","4767","0.2","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(2-oxopropyl)selanium 1-ammonioundecafluorododecaborate","","- C9 H18 B12 F11 N O3 Se -","- C9 H18 B12 F11 N O3 Se -","- C72 H144 B96 F88 N8 O24 Se8 -","8","1","PK2622","Jenne, Carsten; Nierstenhöfer, Marc C.","[Se(CH~2~C(O)CH~3~)~3~][B~12~F~11~NH~3~]: The first selenium cation with three β-ketone substituents","Acta Crystallographica Section E","2020","76","2","221","224","10.1107/S2056989020000481","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0805","0.0868","","","","","","1.03","","","","has coordinates,has Fobs","247003","2020-10-21","18:00:00",""
"2243257","8.0634","0.0001","7.7088","0.0001","16.441","0.0003","90","","90","","90","","1021.96","0.03","300","0.1","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-Iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","","- C7 H3 F5 I N S -","- C7 H3 F5 I N S -","- C28 H12 F20 I4 N4 S4 -","4","0.5","DX2019","González Espiet, Jean C.; Cintrón Cruz, Juan A.; Piñero Cruz, Dalice M.","Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","Acta Crystallographica Section E","2020","76","2","231","234","10.1107/S2056989020000365","","","1.54184","CuKα","","0.0435","0.0417","","","0.1098","0.1114","","","","","","1.033","","","","has coordinates,has Fobs","247004","2020-10-21","18:00:00",""
"2243258","4.7131","0.0003","11.6998","0.0008","13.5696","0.0008","85.225","0.005","81.139","0.005","87.379","0.005","736.35","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine:","","- C13 H18 N2 O S2 -","- C13 H18 N2 O S2 -","- C26 H36 N4 O2 S4 -","2","1","HB7887","Rusli, Aqilah Fasihah; Kwong, Huey Chong; Crouse, Karen A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(<i>E</i>)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","2","208","213","10.1107/S2056989020000328","","","0.71073","MoKα","","0.0847","0.0553","","","0.1466","0.1735","","","","","","1.034","","","","has coordinates,has Fobs","247005","2020-10-21","18:00:00",""
"2243259","9.9955","0.0005","15.8364","0.0007","31.1356","0.0014","90","","90","","90","","4928.5","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-([1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate hemihydrate","","- C50 H57 N6 O10.5 -","- C50 H57 N6 O10.5 -","- C200 H228 N24 O42 -","4","1","VM2226","Le, Thuy Quynh; Nguyen, Xuan Tu; Nguyen, Hung Huy; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structure of a tripeptide biphenyl hybrid C~50~H~56~N~6~O~10~·0.5H~2~O","Acta Crystallographica Section E","2020","76","2","257","260","10.1107/S2056989020000584","","","0.71073","MoKα","","0.0602","0.0476","","","0.1235","0.13","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","247082","2020-10-21","18:00:00",""
"2243260","9.9766","0.0008","17.7991","0.0014","18.8402","0.0014","90","","95.51","0.004","90","","3330.1","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-1κ<i>N</i>:2(η^2^),κ^2^<i>N</i>,<i>N</i>'-(2-{[2,6-Bis(propan-2-yl)\ phenyl]azanidyl}ethyl)[2-(1<i>H</i>-inden-1-yl)ethyl]azanido)(1,4,7,10,13,16-\ hexaoxacyclooctadecane-1κ^6^<i>O</i>)lithiumtin","","- C33 H47 Li N2 O4 Sn -","- C33 H47 Li N2 O4 Sn -","- C132 H188 Li4 N8 O16 Sn4 -","4","1","FF2165","Bischof, Tobias; Evans, Kieren J.; Haddow, Mairi F.; Mansell, Stephen M.","An indenide-tethered N-heterocyclic stannylene","Acta Crystallographica Section E","2020","76","2","254","256","10.1107/S205698902000047X","","","0.71073","MoKα","","0.0811","0.0416","","","0.0813","0.0957","","","","","","1.035","","","","has coordinates","247083","2020-10-21","18:00:00",""
"2243261","6.8249","0.0002","14.3395","0.0005","8.9089","0.0003","90","","106.678","0.004","90","","835.2","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-3-methoxy-5-nitrobenzaldehyde","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C32 H28 N4 O20 -","4","1","SU5534","Vusak, Vitomir; Vusak, Darko; Molcanov, Kresimir; Ernest, Mestrovic","Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hydroxy-3-methoxy-5-nitrobenzaldehyde","Acta Crystallographica Section E","2020","76","2","239","244","10.1107/S2056989020000225","","","1.54184","CuKα","","0.0424","0.0404","","","","0.1735","","","","","","0.808","","","","has coordinates,has Fobs","247084","2020-10-21","18:00:00",""
"2243262","9.9401","0.0002","11.2002","0.0002","12.3308","0.0003","78.871","0.002","78.816","0.002","81.992","0.002","1313.98","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)ethanediamide‒4-chlorobenzoic acid (1/2)","","- C28 H24 Cl2 N4 O6 -","- C28 H24 Cl2 N4 O6 -","- C56 H48 Cl4 N8 O12 -","2","1","HB7889","Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and 4-chlorobenzoic acid","Acta Crystallographica Section E","2020","76","2","245","253","10.1107/S2056989020000572","","","1.54184","CuKα","","0.0369","0.0315","","","0.0861","0.0904","","","","","","1.029","","","","has coordinates,has Fobs","247085","2020-10-21","18:00:00",""
"2243263","12.1111","0.0008","7.2385","0.0003","16.1716","0.0012","90","","94.73","0.008","90","","1412.87","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>N</i>)iron(II)","","- C28 H26 Fe N4 O4 S2 -","- C28 H26 Fe N4 O4 S2 -","- C56 H52 Fe2 N8 O8 S4 -","2","0.5","LH5944","Wellm, Carsten; Näther, Christian","Crystal structure, synthesis and thermal properties of bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2020","76","2","276","280","10.1107/S2056989020001152","","","0.71073","MoKα","","0.0421","0.0372","","","0.1011","0.1043","","","","","","1.031","","","","has coordinates,has Fobs","247438","2020-10-21","18:00:00",""
"2243264","6.8071","0.0006","23.8031","0.0016","13.6302","0.001","90","","97.476","0.009","90","","2189.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate","","- C13 H23 Br3 N2 Ni O8 -","- C13 H23 Br3 N2 Ni O8 -","- C52 H92 Br12 N8 Ni4 O32 -","4","1","ZL2768","Westcott, Barry L.; Crundwell, Guy; Alicea-Velázquez, Nilda L.","Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate","Acta Crystallographica Section E","2020","76","2","270","272","10.1107/S205698902000081X","","","0.71073","MoKα","","0.0668","0.0433","","","0.1086","0.125","","","","","","1.047","","","","has coordinates,has Fobs","247439","2020-10-21","18:00:00",""
"2243265","15.7831","0.0002","14.0136","0.0002","30.5583","0.0003","90","","90","","90","","6758.83","0.15","94.98","","94.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","","- C44.836 H83.674 Ba7 O33.892 -","- C44.838 H79.892 Ba7 O33.892 -","- C179.352 H319.568 Ba28 O135.568 -","4","0.5","WM5531","Samolová, Erika; Fábry, Jan","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","Acta Crystallographica Section E","2020","76","2","264","269","10.1107/S2056989020000924","","x-ray","0.71073","MoKα","","0.0324","","","","0.0696","0.071","","","","","","1.92","","","","has coordinates,has Fobs","247440","2020-10-21","18:00:00",""
"2243266","10.8054","0.0008","19.3938","0.0014","12.7467","0.001","90","","98.523","0.003","90","","2641.7","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","{4-[10,15,20-Tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","","- C50 H36 N6 O5 Zn -","- C50 H36 N6 O5 Zn -","- C100 H72 N12 O10 Zn2 -","2","1","HB7871","Carrie, Daniel; Roisnel, Thierry; Simonneaux, Gerard","Crystal structure of {4-[10,15,20-tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","Acta Crystallographica Section E","2020","76","2","273","275","10.1107/S2056989020001085","","x-ray","0.71073","MoKα","","0.0674","0.0508","","","0.1299","0.1388","","","","","","1.036","","","","has coordinates,has Fobs","247441","2020-10-21","18:00:00",""
"2243267","8.9961","0.0003","10.3755","0.0003","13.2565","0.0004","73.857","0.001","88.119","0.001","74.182","0.001","1142.32","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2<i>Z</i>)-2-(2,4-Dichlorobenzylidene)-4-nonyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C24 H27 Cl2 N O S -","- C24 H27 Cl2 N O S -","- C48 H54 Cl4 N2 O2 S2 -","2","1","LH5943","Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Redouane, Achour; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2<i>Z</i>)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2020","76","2","281","287","10.1107/S2056989020001036","","","1.54178","CuKα","","0.0461","0.0411","","","0.1027","0.107","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","247442","2020-10-21","18:00:00",""
"2243268","11.0402","0.0004","13.8056","0.0008","14.419","0.0007","63.256","0.005","74.098","0.004","75.307","0.004","1865.63","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis{3,4,5-trimethoxy-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)","","- C37 H46 N6 O10 Zn -","- C37 H36 N6 O10 Zn -","- C74 H72 N12 O20 Zn2 -","2","1","TX2017","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Seredyuk, Maksym","Crystal structure of the mixed methanol and ethanol solvate of bis{3,4,5-trimethoxy-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)","Acta Crystallographica Section E","2020","76","3","303","308","10.1107/S2056989020000857","","","0.71069","MoKα","","0.0812","0.064","","","0.1712","0.1922","","","","","","0.895","","","","has coordinates,has Fobs","247942","2020-10-21","18:00:00",""
"2243269","16.1791","0.0019","5.9209","0.0006","12.5007","0.0014","90","","106.093","0.005","90","","1150.6","0.2","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1,2,3,4-tetrahydroisoquinoline trihydrate","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","ZL2766","Langenohl, Felix; Otte, Felix; Strohmann, Carsten","Crystal structure of 2-methyl-1,2,3,4-tetrahydroisoquinoline trihydrate","Acta Crystallographica Section E","2020","76","3","298","302","10.1107/S2056989020000730","","x-ray","0.71073","MoKα","","0.0543","0.0413","","","0.0989","0.1088","","","","","","1.03","","","","has coordinates,has Fobs","247944","2020-10-21","18:00:00",""
"2243270","7.4892","0.0001","15.9488","0.0004","22.4266","0.0005","90","","94.896","0.002","90","","2668.94","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridinium] tetrachloridomanganate(II)","","- C26 H24 Cl4 Mn N6 -","- C26 H24 Cl4 Mn N6 -","- C104 H96 Cl16 Mn4 N24 -","4","1","LH5945","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Petrusenko, Svitlana R.; Melnyk, Andrii K.; Skelton, Brian W.","Crystal structure of imidazo[1,5-<i>a</i>]pyridinium-based hybrid salt (C~13~H~12~N~3~)~2~[MnCl~4~]","Acta Crystallographica Section E","2020","76","3","309","313","10.1107/S2056989020001425","","","0.71073","MoKα","","0.0692","0.0572","","","0.1752","0.1855","","","","","","1.153","","","","has coordinates,has Fobs","247945","2020-10-21","18:00:00",""
"2243271","13.0955","0.0001","15.3457","0.0002","9.0449","0.0001","90","","94.617","0.001","90","","1811.76","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1,3-di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene","","- C17 H29 Br O Si -","- C17 H29 Br O Si -","- C68 H116 Br4 O4 Si4 -","4","1","HB7886","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0733","0.0733","","","","","","1.096","","","","has coordinates,has Fobs","247946","2020-10-21","18:00:00",""
"2243272","14.47237","0.00014","17.4657","0.0002","6.73933","0.00007","90","","90","","90","","1703.5","0.03","100","2","100.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene","","- C17 H30 O Si -","- C17 H30 O Si -","- C68 H120 O4 Si4 -","4","0.5","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","x-ray","1.54184","CuKα","","0.0354","0.0333","","","0.0915","0.0929","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2243273","12.199","0.003","12.091","0.003","14.177","0.003","90","","90","","90","","2091.1","0.9","173","2","173.15","","","","","","","","","4","C m c m","-C 2c 2","63","","<i>N</i>-(2,6-Diisopropylphenyl)-1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanamine","","- C18 H35 N Si2 -","- C18 H35 N Si2 -","- C72 H140 N4 Si8 -","4","0.25","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","","0.71073","MoKα","","0.0588","0.0473","","","0.1173","0.126","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2243274","7.499","0.0015","8.079","0.0016","9.98","0.002","81.31","0.03","77.32","0.03","78.39","0.03","574.2","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","1,4,8,11-Tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride","","- C14 H36 Cl4 N4 O8 -","- C14 H36 Cl4 N4 O8 -","- C14 H36 Cl4 N4 O8 -","1","0.5","VM2227","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride from synchrotron X-ray data","Acta Crystallographica Section E","2020","76","3","324","327","10.1107/S2056989020001322","","","0.61","synchrotron","","0.053","0.0522","","","0.1462","0.1473","","","","","","1.045","","","","has coordinates,has Fobs","248067","2020-10-21","18:00:00",""
"2243275","10.0731","0.0004","3.74576","0.00018","16.9805","0.0006","90","","95.808","0.004","90","","637.41","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]","","- C3 H3 N4 O3 Tl -","- C3 H2 N4 O3 Tl -","- C12 H8 N16 O12 Tl4 -","4","1","WM5530","Safyanova, Inna S.; Bondar, Oksana A.; Pavlishchuk, Anna V.; Omelchenko, Iryna V.; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.","Crystal structure of poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]","Acta Crystallographica Section E","2020","76","3","328","331","10.1107/S2056989020001577","","","0.71073","MoKα","","0.0501","0.045","","","0.1053","0.1105","","","","","","1.07","","","","has coordinates,has Fobs","248068","2020-10-21","18:00:00",""
"2243276","9.2992","0.0008","9.2992","0.0008","7.2588","0.0007","90","","90","","120","","543.61","0.08","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Terbium trialuminium tetrakis(borate)","","- Al3 B4 O12 Tb -","- Al3 B4 O12 Tb -","- Al9 B12 O36 Tb3 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0197","0.0197","","0.0212","","0.0212","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243277","9.2938","0.0005","9.2938","0.0005","7.2348","0.0004","90","","90","","120","","541.18","0.05","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Dysprosium trialuminium tetrakis(borate)","","- Al3 B4 Dy O12 -","- Al3 B4 Dy O12 -","- Al9 B12 Dy3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.008","0.0101","","0.008","","0.0101","","","1.14","","","1.14","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243278","9.2832","0.0003","9.2832","0.0003","7.2345","0.0003","90","","90","","120","","539.93","0.03","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Holmium trialuminium tetrakis(borate)","","- Al3 B4 Ho O12 -","- Al3 B4 Ho O12 -","- Al9 B12 Ho3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0115","0.0115","","0.0149","","0.0149","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243279","25.8191","0.0007","11.9726","0.0003","7.1467","0.0002","90","","90.662","0.002","90","","2209.05","0.1","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~5~-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium]","","- C10 H6 O9 Sr -","- C10 H6 O9 Sr -","- C80 H48 O72 Sr8 -","8","1","","Mokhtari, Samia; Chahrazed, Trifa; Bouacida, Sofiane; Boudaren, Chaouki; Abdelbaky, Mohammed S.M.; García-Granda, Santiago","Synthesis, crystal structure, and thermal properties of poly[aqua(μ~5~-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium]","Acta Crystallographica Section E","2020","76","3","354","359","10.1107/S2056989020002005","","x-ray","0.71073","MoKα","","0.0636","0.0428","","","0.0797","0.0863","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","248206","2020-10-21","18:00:00",""
"2243280","7.2863","0.0002","13.9178","0.0005","11.6156","0.0004","90","","98.866","0.001","90","","1163.85","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,3-Benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JJ2219","Srhir, Mohamed; Sebbar, Nada Kheira; Hökelek, Tuncer; Moussaif, Ahmed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one","Acta Crystallographica Section E","2020","76","3","370","376","10.1107/S2056989020001723","","","1.54178","CuKα","","0.0315","0.0304","","","0.0788","0.08","","","","","","1.063","","","","has coordinates,has Fobs","248207","2020-10-21","18:00:00",""
"2243281","17.99","0.003","14.2529","0.0016","5.8661","0.0008","90","","94.419","0.004","90","","1499.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-3-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 Cl O2 -","- C18 H13 Cl O2 -","- C72 H52 Cl4 O8 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1077","0.055","","","0.108","0.1317","","","","","","1.045","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243282","18.286","0.006","14.277","0.004","5.8489","0.0017","90","","94.521","0.007","90","","1522.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1593","0.0434","","","0.0652","0.0886","","","","","","0.996","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243283","15.0182","0.0009","6.0579","0.0003","20.8286","0.0012","90","","110.573","0.002","90","","1774.11","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-3-(4-Chlorophenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C19 H16 Cl N3 O S -","- C19 H16 Cl N3 O S -","- C76 H64 Cl4 N12 O4 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1025","0.0749","","","0.1245","0.1334","","","","","","1.241","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243284","15.1255","0.0013","6.0426","0.0005","21.026","0.002","90","","110.555","0.003","90","","1799.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-3-(4-Bromophenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C19 H16 Br N3 O S -","- C19 H16 Br N3 O S -","- C76 H64 Br4 N12 O4 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.0812","0.0554","","","0.1011","0.1125","","","","","","1.16","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243285","11.7852","0.0015","7.5345","0.0011","20.599","0.003","90","","93.555","0.004","90","","1825.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-3-(4-Methoxyphenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C20 H19 N3 O2 S -","- C20 H19 N3 O2 S -","- C80 H76 N12 O8 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1466","0.0509","","","0.0888","0.1179","","","","","","0.967","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243286","15.00386","0.00018","17.0413","0.0002","17.64915","0.00015","117.041","0.001","96.8906","0.0009","96.8281","0.001","3912.77","0.09","160","2","160","2","","","","","","","","4","P 1","P 1","1","","<i>catena</i>-Poly[[[diaqualithium]-μ-γ-cyclodextrin(1-)-[aqualithium]-μ-γ-cyclodextrin(1-)] pentadecahydrate]","","- C96 H194 Li2 O98 -","- C96 H179 Li2 O98 -","- C96 H179 Li2 O98 -","1","1","WM5534","Krukle-Berzina, Kristine; Belyakov, Sergey; Mishnev, Anatoly; Shubin, Kirill","Crystal structure of a two-dimensional metal‒organic framework assembled from lithium(I) and γ-cyclodextrin","Acta Crystallographica Section E","2020","76","3","349","353","10.1107/S2056989020001942","","","1.54184","CuKα","","0.0477","0.0458","","","0.1302","0.1327","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","248209","2020-10-21","18:00:00",""
"2243287","15.4741","0.0005","5.0224","0.0002","25.518","0.0009","90","","99.858","0.002","90","","1953.9","0.12","150","2","150","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","1,3-Bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","WM5538","Taia, Abdelmaoujoud; Essaber, Mohamed; Hökelek, Tuncer; Aatif, Abdeljalil; Mague, Joel T.; Alsalme, Ali; Al-Zaqri, Nabil","Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane","Acta Crystallographica Section E","2020","76","3","344","348","10.1107/S2056989020001681","","","1.54178","CuKα","","0.0517","0.041","","","0.1004","0.1088","","","","","","1.052","","","","has coordinates,has Fobs","248210","2020-10-21","18:00:00",""
"2243288","6.459","0.0002","7.3545","0.0003","31.3436","0.0012","90","","90","","90","","1488.91","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-5-[(<i>R</i>)-3-(4-Chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","IS5530","Oubella, Ali; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (<i>R</i>)-5-[(<i>R</i>)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","Acta Crystallographica Section E","2020","76","3","400","403","10.1107/S2056989020001991","","","0.71073","MoKα","","0.0389","0.0352","","","0.1015","0.105","","","","","","1.193","","","","has coordinates,has Fobs","248281","2020-10-21","18:00:00",""
"2243289","12.837","0.0007","20.1241","0.0014","15.2568","0.0009","90","","110.871","0.006","90","","3682.7","0.4","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diiodido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}cadmium(II)","","- C36 H40 Cd I2 N6 -","- C36 H40 Cd I2 N6 -","- C144 H160 Cd4 I8 N24 -","4","0.5","XI2022","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","Acta Crystallographica Section E","2020","76","3","410","416","10.1107/S2056989020001644","","","0.71073","MoKα","","0.0467","0.0289","","","0.0674","0.0715","","","","","","0.953","","","","has coordinates,has Fobs","248282","2020-10-21","18:00:00",""
"2243290","11.9196","0.0008","12.1208","0.0008","13.919","0.001","98.222","0.008","100.313","0.008","107.58","0.007","1843.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Dichorido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}zinc(II) dichloromethane 0.6-solvate","","- C36.6 H41.2 Cl3.2 N6 Zn -","- C36.6 H41.2 Cl3.2 N6 Zn -","- C73.2 H82.4 Cl6.4 N12 Zn2 -","2","1","XI2022","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","Acta Crystallographica Section E","2020","76","3","410","416","10.1107/S2056989020001644","","","0.71073","MoKα","","0.0961","0.0433","","","0.1041","0.1172","","","","","","0.785","","","","has coordinates,has Fobs","248282","2020-10-21","18:00:00",""
"2243291","13.3077","0.0005","10.3009","0.0004","13.9338","0.0005","90","","104.657","0.001","90","","1847.91","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-acetyl-3-isopropyl-2,6-diphenylpiperidine","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","DX2023","Periyannan, P.; Beemarao, M.; Karthik, K.; Ponnuswamy, S.; Ravichandran, K.","Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[<i>r</i>-2,<i>c</i>-6-diphenyl-<i>t</i>-3-(propan-2-yl)piperidin-1-yl]ethan-1-one","Acta Crystallographica Section E","2020","76","3","377","381","10.1107/S2056989020002042","","","0.71073","MoKα","","0.0817","0.0532","","","0.1442","0.1691","","","","","","1.02","","","","has coordinates,has Fobs","248283","2020-10-21","18:00:00",""
"2243292","9.969","0.0005","24.8828","0.0015","8.3049","0.0004","90","","94.356","0.001","90","","2054.13","0.19","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-3-[4-(9,9a-Dihydro-8a<i>H</i>-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","","- C27 H18 N2 O3 -","- C27 H18 N2 O3 -","- C108 H72 N8 O12 -","4","1","EX2028","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Structural, Hirshfeld and DFT studies of conjugated <i>D</i>‒π‒<i>A</i> carbazole chalcone crystal","Acta Crystallographica Section E","2020","76","3","387","391","10.1107/S2056989020002054","","","0.71073","MoKα","","0.0515","0.0405","","","0.1042","0.114","","","","","","1.035","","","","has coordinates,has Fobs","248284","2020-10-21","18:00:00",""
"2243293","3.8195","0.0005","22.826","0.004","13.6381","0.0019","90","","92.829","0.011","90","","1187.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(4-nitrobenzylidene)aniline","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C52 H36 Cl4 N8 O8 -","4","1","","Leela, Sundararaman; Subashini, Ashokkumar; Reji, Philip; Ramamurthi, Kandasami; Stoeckli-Evans, Helen","Whole-molecule disorder of the Schiff base compound 4-chloro-<i>N</i>-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","3","417","422","10.1107/S2056989020002212","","","0.71073","MoKα","","0.0831","0.0494","","","0.1102","0.1208","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","248285","2020-10-21","18:00:00",""
"2243294","9.7577","0.0014","10.348","0.002","9.9118","0.0016","90","","101.663","0.015","90","","980.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1',1'',1'''-(Pyrazine-2,3,5,6-tetrayl)tetrakis(<i>N</i>,<i>N</i>-dimethylmethanamine)","","- C16 H32 N6 -","- C16 H32 N6 -","- C32 H64 N12 -","2","0.5","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.1108","0.0602","","","0.1287","0.1536","","","","","","1.098","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243295","8.6753","0.001","8.916","0.0011","10.0631","0.001","85.774","0.01","73.468","0.011","82.467","0.011","739.21","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[Pyrazine-2,3,5,6\ tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","","- C36 H40 N6 -","- C36 H40 N6 -","- C36 H40 N6 -","1","0.5","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.0811","0.0493","","","0.0939","0.108","","","","","","1.116","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243296","8.686","0.001","9.7731","0.0011","14.3948","0.0016","85.915","0.013","75.349","0.013","78.891","0.013","1159.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-[(6-Phenyl-6,7-dihydro-5<i>H</i>-pyrrolo[3,4-\ <i>b</i>]pyrazine-2,3-diyl)bis(methylene)]bis(<i>N</i>-methylaniline)","","- C28 H29 N5 -","- C28 H29 N5 -","- C56 H58 N10 -","2","1","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.1221","0.0353","","","0.0692","0.0791","","","","","","0.682","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243297","8.9922","0.0014","16.461","0.003","24.835","0.004","90","","92.491","0.006","90","","3672.6","1.1","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate","","- C34 H22 Br6 Cu N4 O3 S -","- C34 H22 Br6 Cu N4 O3 S -","- C136 H88 Br24 Cu4 N16 O12 S4 -","4","1","TX2018","Chetioui, Souheyla; Bougueria, Hassiba; Brihi, Ouarda; Boutebdja, Mehdi; Bouroumane, Nadia; Merazig, Hocine; Touzani, Rachid","Crystal structure, characterization and Hirshfeld analysis of bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2020","76","3","382","386","10.1107/S2056989020001863","","x-ray","0.7107","MoKα","","0.1033","0.0442","","","0.0844","0.0985","","","","","","0.924","","","","has coordinates,has disorder,has Fobs","248289","2020-10-21","18:00:00",""
"2243298","12.138","0.008","8.336","0.005","15.872","0.009","90","","93.91","0.016","90","","1602.2","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(Benzylideneamino)-5-phenylthiazolidin-2-iminium bromide","","- C16 H16 Br N3 S -","- C16 H16 Br N3 S -","- C64 H64 Br4 N12 S4 -","4","1","RZ5269","Duruskari, Gulnara Sh.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2020","76","3","427","431","10.1107/S2056989020001899","","","0.71073","MoKα","","0.0518","0.0397","","","0.101","0.1107","","","","","","1.055","","","","has coordinates,has Fobs","248398","2020-10-21","18:00:00",""
"2243299","8.5623","0.0003","10.5377","0.0003","24.4439","0.0007","90","","90.768","0.003","90","","2205.3","0.12","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Aqua-1κ<i>O</i>-bis(μ~2~-2-iminomethyl-6-methoxyphenolato-1κ^2^<i>O</i>^1^,<i>O</i>^6^:2κ^2^<i>O</i>^1^,<i>N</i>)bis(thiocyanato-1κ<i>N</i>)calcium(II)copper(II)","","- C18 H18 Ca Cu N4 O5 S2 -","- C18 H18 Ca Cu N4 O5 S2 -","- C72 H72 Ca4 Cu4 N16 O20 S8 -","4","1","IS5531","Plyuta, Nataliya; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Omelchenko, Iryna; Petrusenko, Svitlana","A binuclear Cu^II^/Ca^II^ thiocyanate complex with a Schiff base ligand derived from <i>o</i>-vanillin and ammonia","Acta Crystallographica Section E","2020","76","3","423","426","10.1107/S205698902000211X","","x-ray","0.71073","MoKα","","0.0838","0.0442","","","0.089","0.1034","","","","","","1.023","","","","has coordinates,has Fobs","248399","2020-10-21","18:00:00",""
"2243300","8.706","0.003","13.753","0.005","14.683","0.005","116.142","0.011","93.871","0.012","96.985","0.012","1552","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-Methoxy-6-nitro-4-(prop-2-en-1-yl)phenol","4-Allyl-2-methoxy-6-nitrophenol","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C60 H66 N6 O24 -","6","3","RZ5270","El Ghallab, Yassine; Derfoufi, Sanae; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol","Acta Crystallographica Section E","2020","76","3","461","465","10.1107/S2056989020002601","","","0.71073","MoKα","","0.0655","0.0473","","","0.1208","0.1339","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","248567","2020-10-21","18:00:00",""
"2243301","7.5347","0.0001","8.2581","0.0001","9.6157","0.0001","77.876","0.001","86.132","0.001","69.682","0.001","548.56","0.012","173","2","172.99","","","","","","","","","5","P -1","-P 1","2","<i>N</i>,<i>N</i>-(Butane-1,4-diyl)-4-methylbenzenesulfonamide","1-[(4-Methylbenzene)sulfonyl]pyrrolidine","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C22 H30 N2 O4 S2 -","2","1","WM5540","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine","Acta Crystallographica Section E","2020","76","3","452","455","10.1107/S205698902000208X","","","1.54178","CuKα","","0.0475","0.0414","","","0.1148","0.1196","","","","","","1.088","","","","has coordinates,has Fobs","248568","2020-10-21","18:00:00",""
"2243302","7.7418","0.0008","13.856","0.003","36.197","0.005","90","","90","","90","","3882.9","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[Bis(benzylsulfanyl)methyl]-6-methoxyphenol","","- C22 H22 O2 S2 -","- C22 H22 O2 S2 -","- C176 H176 O16 S16 -","8","1","VM2228","Raghuvanshi, Abhinav; Knauer, Lena; Viau, Lydie; Knorr, Michael; Strohmann, Carsten","Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol","Acta Crystallographica Section E","2020","76","4","484","487","10.1107/S2056989020002091","","x-ray","0.71073","MoKα","","0.0403","0.0338","","","0.076","0.0792","","","","","","1.088","","","","has coordinates","248728","2020-10-21","18:00:00",""
"2243303","23.473","0.0012","3.7262","0.0002","13.9102","0.0007","90","","95.687","0.002","90","","1210.67","0.11","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-Bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate","","- C10 H12 N8 O2 -","- C10 H12 N8 O2 -","- C40 H48 N32 O8 -","4","0.5","HB7895","Khotchasanthong, Kenika; Jittirattanakun, Siripak; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate","Acta Crystallographica Section E","2020","76","4","473","476","10.1107/S2056989020002765","","x-ray","0.71073","MoKα","","0.0688","0.0533","","","0.1579","0.1739","","","","","","1.051","","","","has coordinates,has Fobs","248729","2020-10-21","18:00:00",""
"2243304","7.3709","0.0004","7.5063","0.0004","12.4247","0.0006","84.126","0.004","76.694","0.004","62.372","0.004","592.69","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-\ one‒(<i>Z</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-\ 1-en-1-ol (0.93/0/07)","","- C12 H9.14 Cl O S2 -","- C12 H9.14 Cl O S2 -","- C24 H18.28 Cl2 O2 S4 -","2","1","HB7894","Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael","Unexpected formation of a co-crystal containing the chalcone (<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one and the keto‒enol tautomer (<i>Z</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol","Acta Crystallographica Section E","2020","76","4","477","480","10.1107/S2056989020002583","","","1.54186","CuKα","","0.0344","0.0323","","","0.0872","0.0884","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","248730","2020-10-21","18:00:00",""
"2243305","9.2139","0.0004","8.8122","0.0004","18.3486","0.0007","90","","104.521","0.004","90","","1442.22","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-2-yl)acetate","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","NR2077","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-2-yl)acetate","Acta Crystallographica Section E","2020","76","4","481","483","10.1107/S2056989020002674","","","0.71073","MoKα","","0.0419","0.0351","","","0.0825","0.0853","","","","","","1.107","","","","has coordinates,has Fobs","248731","2020-10-21","18:00:00",""
"2243307","9.2846","0.0007","9.2846","0.0007","38.069","0.004","90","","90","","90","","3281.7","0.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate","","- C30 H28 Cl4 Co N6 O4 -","- C30 H28 Cl4 Co N6 O4 -","- C120 H112 Cl16 Co4 N24 O16 -","4","0.25","HB7878","Thippeswamy, B.; Suchetan, P. A.; Mahadevan, K. M.; Nagabhushana, H.; Vijayakumar, G. R.","Crystal structure and photoluminescent properties of bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate","Acta Crystallographica Section E","2020","76","4","496","499","10.1107/S205698902000287X","","","0.71073","MoKα","","0.0604","0.0438","","","0.118","0.1274","","","","","","1.075","","","","has coordinates,has Fobs","249115","2020-10-21","18:00:00",""
"2243308","6.9683","0.0007","7.9683","0.0008","18.975","0.002","90","","90","","90","","1053.6","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)piperazine","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.0508","0.0355","","","0.0815","0.0884","","","","","","1.062","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243309","7.4365","0.0004","10.6276","0.0006","13.27","0.0006","92.238","0.004","97.057","0.004","108.618","0.005","982.92","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C18 H20 N4 O7 -","- C18 H20 N4 O7 -","- C36 H40 N8 O14 -","2","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.06","0.0406","","","0.1","0.1097","","","","","","1.024","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243310","8.7568","0.0006","6.6292","0.0005","34.024","0.002","90","","96.987","0.006","90","","1960.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C17 H19 N5 O8 -","- C17 H19 N5 O8 -","- C68 H76 N20 O32 -","4","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.097","0.0575","","","0.1196","0.136","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","249116","2020-10-21","18:00:00",""
"2243311","6.259","0.0007","7.4549","0.0009","19.269","0.002","83.28","0.01","84.74","0.001","85.38","0.01","886.94","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-aminobenzoate monohydrate","","- C18 H25 N3 O4 -","- C18 H25 N3 O4 -","- C36 H50 N6 O8 -","2","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.1315","0.0688","","","0.16","0.1868","","","","","","1.069","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243312","8.0932","0.0014","13.744","0.003","12.429","0.002","90","","92.29","0.006","90","","1381.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium aquatrichloridozincate(II)","","- C7 H11 Cl3 N4 O3 Zn -","- C7 H11 Cl3 N4 O3 Zn -","- C28 H44 Cl12 N16 O12 Zn4 -","4","1","HB7891","El Hamdani, Hicham; El Amane, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of (C~7~H~9~N~4~O~2~)[ZnCl~3~(H~2~O)]","Acta Crystallographica Section E","2020","76","4","506","509","10.1107/S2056989020002753","","","0.71073","MoKα","","0.0287","0.0253","","","0.0672","0.0698","","","","","","1.04","","","","has coordinates,has Fobs","249271","2020-10-21","18:00:00",""
"2243313","7.061","0.0014","8.674","0.0017","10.775","0.002","77.61","0.03","88.2","0.03","79.39","0.03","633.5","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","1,4,8,11-Tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride","","- C14 H36 Cl4 Cr2 N4 O6 -","- C14 H36 Cl4 Cr2 N4 O6 -","- C14 H36 Cl4 Cr2 N4 O6 -","1","0.5","VM2229","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride from synchrotron X-ray data","Acta Crystallographica Section E","2020","76","4","523","526","10.1107/S2056989020003059","","","0.61","synchrotron","","0.0512","0.0504","","","0.1486","0.1496","","","","","","1.078","","","","has coordinates,has Fobs","249272","2020-10-21","18:00:00",""
"2243314","8.1775","0.0017","6.7722","0.0014","12.305","0.003","90","","99.664","0.003","90","","671.8","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium μ-oxido-μ-[1,5,6-trihydroxyhexane-2,3,4-tris(olato)]bis[dioxidomolybdenum(V)] monohydrate","","- C6 H17 Mo2 N O12 -","- C6 H17 Mo2 N O12 -","- C12 H34 Mo4 N2 O24 -","2","1","","Mirzaei, Masoud; Tahmasebi, Morteza; Mague, Joel T.","A redetermination of the crystal structure of the mannitol complex NH~4~[Mo~2~O~5~(C~6~H~11~O~6~)]·H~2~O: hydrogen-bonding scheme and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","4","518","522","10.1107/S2056989020002935","","","0.71073","MoKα","","0.0199","0.0187","","","0.0491","0.0495","","","","","","1.054","","","","has coordinates,has Fobs","249273","2020-10-21","18:00:00",""
"2243315","19.77","0.013","9.477","0.006","17.62","0.012","90","","105.78","0.02","90","","3177","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)propan-2-ylazanium} but-2-enedioate","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C128 H176 N16 O24 -","8","1","ZL2774","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Bis(4-hydroxy-<i>N</i>-isopropyl-<i>N</i>-methyltryptammonium) fumarate: a new crystalline form of miprocin","Acta Crystallographica Section E","2020","76","4","514","517","10.1107/S2056989020002923","","","0.71073","MoKα","","0.0775","0.0466","","","0.0929","0.1054","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","249274","2020-10-21","18:00:00",""
"2243316","12.1175","0.0005","18.7705","0.0006","12.3246","0.0004","90","","110.232","0.004","90","","2630.29","0.18","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(6-fluoropyridine-3-carboxylato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] trihydrate]","","- C22 H24 F2 N4 Ni O9 -","- C22 H24 F2 N4 Ni O9 -","- C88 H96 F8 N16 Ni4 O36 -","4","0.5","XI2024","Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","The first coordination compound of 6-fluoronicotinate: the crystal structure of a one-dimensional nickel(II) coordination polymer containing the mixed ligands 6-fluoronicotinate and 4,4'-bipyridine","Acta Crystallographica Section E","2020","76","4","500","505","10.1107/S2056989020003023","","","0.71073","MoKα","","0.0415","0.0321","","","0.0702","0.0733","","","","","","1.025","","","","has coordinates,has Fobs","249275","2020-10-21","18:00:00",""
"2243317","4.1027","0.0004","12.1789","0.0018","8.1014","0.0008","90","","95.78","0.012","90","","402.74","0.08","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[(μ-5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>;3',4'-<i>e</i>]pyrazine-κ^2^<i>S</i>:<i>S</i>')(μ-nitrato-κ^2^<i>O</i>:<i>O</i>')silver(I)]","","- C8 H8 N2 S2 -","- C8 H8 N2 S2 -","- C16 H16 N4 S4 -","2","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0849","0.0736","","","0.1719","0.1804","","","","","","1.026","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243318","21.1618","0.0018","7.0585","0.0005","9.5057","0.0007","90","","94.47","0.01","90","","1415.55","0.19","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[μ~3~3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>;6',7'-<i>e</i>]pyrazine-κ^3^<i>S</i>:<i>S</i>':<i>S</i>''](nitrato-κ<i>O</i>)silver(I)]","","- C12 H16 N2 S4 -","- C12 H16 N2 S4 -","- C48 H64 N8 S16 -","4","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0318","0.0264","","","0.0689","0.0706","","","","","","1.047","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243319","3.8995","0.0003","6.3902","0.0006","20.5741","0.0018","90","","93.121","0.009","90","","511.92","0.08","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C8 H8 Ag N3 O3 S2 -","- C8 H8 Ag N3 O3 S2 -","- C16 H16 Ag2 N6 O6 S4 -","2","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.017","0.0156","","","0.0406","0.0412","","","","","","1.145","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243320","7.0777","0.0006","12.0654","0.0007","19.5725","0.0018","90","","90.446","0.01","90","","1671.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Ag N3 O3 S4 -","- C12 H16 Ag N3 O3 S4 -","- C48 H64 Ag4 N12 O12 S16 -","4","1","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0526","0.0293","","","0.0549","0.0586","","","","","","0.848","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243321","6.6286","0.0004","8.1569","0.0005","12.0061","0.0008","96.803","0.003","101.506","0.003","98.511","0.003","621.73","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","(4-Chlorophenyl)(4-methylpiperidin-1-yl)methanone","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C26 H32 Cl2 N2 O2 -","2","1","JJ2221","Srividya, J.; Reuben Jonathan, D.; Revathi, B. K.; Divya Bharathi, M.; Anbalagan, G.","Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone","Acta Crystallographica Section E","2020","76","4","534","538","10.1107/S2056989020001930","","","0.71073","MoKα","","0.0655","0.0487","","","0.1284","0.1435","","","","","","1.051","","","","has coordinates,has Fobs","249388","2020-10-21","18:00:00",""
"2243322","9.7919","0.0014","14.5757","0.0013","12.114","0.0012","90","","107.694","0.006","90","","1647.2","0.3","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II)","","- C15 H20 Mo N3 O3 P -","- C15 H20 Mo N3 O3 P -","- C60 H80 Mo4 N12 O12 P4 -","4","1","","Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.","Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","Acta Crystallographica Section E","2020","76","4","547","551","10.1107/S2056989020003679","","","0.71073","MoKα","","0.0255","0.0201","","","0.0407","0.0425","","","","","","1.067","","","","has coordinates,has Fobs","249473","2020-10-21","18:00:00",""
"2243323","12.8674","0.0004","11.6366","0.0003","14.4655","0.0005","90","","113.224","0.004","90","","1990.45","0.12","99.97","0.13","99.97","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","","- C18 H24 Mo N3 O5 P -","- C18 H24 Mo N3 O5 P -","- C72 H96 Mo4 N12 O20 P4 -","4","1","","Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.","Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","Acta Crystallographica Section E","2020","76","4","547","551","10.1107/S2056989020003679","","x-ray","0.71073","MoKα","","0.0355","0.0276","","","0.0586","0.0609","","","","","","1.094","","","","has coordinates,has Fobs","249473","2020-10-21","18:00:00",""
"2243324","12.06","0.0008","4.4531","0.0003","19.9528","0.0013","90","","102.228","0.002","90","","1047.24","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(Pyridin-4-ylmethylidene)thiophene-2-carbohydrazide","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","1","RZ5271","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","Intramolecular 1,5-S···N σ-hole interaction in (<i>E</i>)-<i>N</i>'-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide","Acta Crystallographica Section E","2020","76","4","557","561","10.1107/S2056989020003011","","","0.71073","MoKα","","0.0646","0.0397","","","0.0917","0.1013","","","","","","1.031","","","","has coordinates,has Fobs","249474","2020-10-21","18:00:00",""
"2243325","16.094","0.0014","8.8747","0.0008","10.558","0.001","90","","105.654","0.003","90","","1452.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>R</i>,<i>S</i>)-2-Hydroxy-4-(methylsulfanyl)butanoic acid","","- C5 H10 O3 S -","- C5 H10 O3 S -","- C40 H80 O24 S8 -","8","2","LH5949","Mawhinney, Thomas P.; Li, Yiyi; Chance, Deborah L.; Kelley, Steven P.; Mossine, Valeri V.","Crystal structure of (<i>R</i>,<i>S</i>)-2-hydroxy-4-(methylsulfanyl)butanoic acid","Acta Crystallographica Section E","2020","76","4","562","566","10.1107/S2056989020003138","","","0.71073","MoKα","","0.0648","0.0444","","","0.0967","0.1058","","","","","","1.054","","","","has coordinates,has Fobs","249475","2020-10-21","18:00:00",""
"2243326","8.1049","0.0007","11.6979","0.001","12.081","0.0012","90","","90.069","0.009","90","","1145.4","0.18","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,3-Dimethoxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate","","- C6 H11 B F4 N2 O2 S -","- C6 H11 B F4 N2 O2 S -","- C24 H44 B4 F16 N8 O8 S4 -","4","1","WM5549","Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates","Acta Crystallographica Section E","2020","76","4","552","556","10.1107/S2056989020003643","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0765","0.0882","","","","","","1.038","","","","has coordinates,has Fobs","249476","2020-10-21","18:00:00",""
"2243327","7.9117","0.0003","11.476","0.0004","20.9659","0.0007","90","","90","","90","","1903.59","0.12","173","2","173","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","1,3-Dibenzyloxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate","","- C18 H19 B F4 N2 O2 S -","- C18 H19 B F4 N2 O2 S -","- C72 H76 B4 F16 N8 O8 S4 -","4","1","WM5549","Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates","Acta Crystallographica Section E","2020","76","4","552","556","10.1107/S2056989020003643","","","0.71073","MoKα","","0.0336","0.0296","","","0.0654","0.0674","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","249476","2020-10-21","18:00:00",""
"2243328","4.2951","0.0002","16.7714","0.0009","18.0537","0.0011","90","","95.941","0.002","90","","1293.51","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-Dihydro-2<i>H</i>-anthra[1,2-<i>b</i>][1,4]dioxepine-8,13-dione","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","HB7899","Zazouli, Sofia; Chigr, Mohammed; Jouaiti, Ahmed; Kyritsakas, Nathalie; Ketatni, El Mostafa","Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2<i>H</i>-anthra[1,2-<i>b</i>][1,4]dioxepine-8,13-dione","Acta Crystallographica Section E","2020","76","4","576","580","10.1107/S2056989020003965","","","0.71073","MoKα","","0.0895","0.055","","","0.1288","0.1493","","","","","","1.025","","","","has coordinates,has Fobs","249818","2020-10-21","18:00:00",""
"2243329","7.1676","0.0005","9.1175","0.0007","10.1554","0.0008","66.174","0.006","80.225","0.006","71.803","0.006","576.01","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2<i>H</i>,4<i>H</i>-1,2,3-oxathiazin-3-ide","","- C9 H11 N3 O5 S -","- C9 H11 N3 O5 S -","- C18 H22 N6 O10 S2 -","2","1","YK2127","Kansiz, Sevgi; Faizi, Md. Serajul Haque; Aydin, Tansu Merve; Dege, Necmi; Icbudak, Hasan; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2<i>H</i>,4<i>H</i>-1,2,3-oxathiazin-3-ide","Acta Crystallographica Section E","2020","76","4","572","575","10.1107/S2056989020003813","","","0.71073","MoKα","","0.0473","0.0398","","","0.1101","0.1143","","","","","","1.082","","","","has coordinates,has Fobs","249819","2020-10-21","18:00:00",""
"2243330","9.406","0.0016","8.8436","0.0015","12.144","0.002","90","","100.601","0.007","90","","992.9","0.3","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxy-<i>N</i>-methyltryptamine","3-[2-(Methylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","PK2623","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Norpsilocin: freebase and fumarate salt","Acta Crystallographica Section E","2020","76","4","589","593","10.1107/S2056989020004077","","","0.71073","MoKα","","0.0448","0.0375","","","0.0958","0.1048","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","249820","2020-10-21","18:00:00",""
"2243331","7.7363","0.001","9.7146","0.0012","9.7854","0.0013","105.524","0.004","110.554","0.004","97.167","0.004","643.69","0.15","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","4-Hydroxy-<i>N</i>-methyltryptammonium fumarate","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]methylazanium} but-2-enedioate","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C26 H32 N4 O6 -","2","1","PK2623","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Norpsilocin: freebase and fumarate salt","Acta Crystallographica Section E","2020","76","4","589","593","10.1107/S2056989020004077","","","0.71073","MoKα","","0.0619","0.0391","","","0.09","0.0983","","","","","","1.106","","","","has coordinates,has Fobs","249820","2020-10-21","18:00:00",""
"2243332","8.3252","0.0001","17.1485","0.0003","9.3505","0.0001","90","","116.249","0.001","90","","1197.26","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(Morpholin-4-yl)carbothioyl]benzoic acid","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","DX2024","Agnimonhan, Finagnon Hyacinthe; Bendeif, El-Eulmi; Akanni, Léon Ahoussi; Gbaguidi, Ahokannou Fernand; Martin, Eddy; Wenger, Emmanuel; Lecomte, Claude","Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid","Acta Crystallographica Section E","2020","76","4","581","584","10.1107/S2056989020003977","","","0.71073","MoKα","","0.052","0.0477","","","0.1278","0.1312","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","249821","2020-10-21","18:00:00",""
"2243333","10.578","0.0002","18.419","0.0005","14.398","0.0003","90","","108.791","0.001","90","","2655.73","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C128 H148 N4 O16 -","4","1","IS5533","Suresh Babu, N.; Sughanya, V.; Dhandapani, A.; Kalaivanan, R.","Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2020","76","4","585","588","10.1107/S2056989020004065","","","0.71073","MoKα","","0.0728","0.0491","","","0.1189","0.1385","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","249822","2020-10-21","18:00:00",""
"2243334","9.6659","0.0007","14.0682","0.0011","14.4869","0.0013","90","","90","","90","","1970","0.3","296","2","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C72 H80 Cl8 N8 O8 S8 -","8","1","ZQ2250","Mongkholkeaw, Sitthichok; Songsasen, Apisit; Duangthongyou, Tanwawan; Chainok, Kittipong; Suramitr, Songwut; Wattanathana, Worawat; Wannalerse, Boontana","Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","Acta Crystallographica Section E","2020","76","4","594","598","10.1107/S2056989020002960","","","0.71073","MoKα","","0.0764","0.047","","","0.1112","0.1274","","","","","","1.022","","","","has coordinates,has Fobs","249910","2020-10-21","18:00:00",""
"2243335","13.359","0.002","20.413","0.003","9.747","0.0015","90","","98.326","0.003","90","","2630","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bufbd02","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) pyridine monosolvate","","- C31 H29 Ga N4 O3 -","- C31 H29 Ga N4 O3 -","- C124 H116 Ga4 N16 O12 -","4","1","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","","0.71073","MoKα","","0.1093","0.05","","","0.0993","0.1202","","","","","","1.002","","","","has coordinates,has Fobs","250121","2020-10-21","18:00:00",""
"2243336","10.9053","0.0006","14.1157","0.0008","16.2324","0.0009","93.915","0.001","103.12","0.001","97.6","0.001","2399.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bufbd01","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) acetonitrile 0.75-solvate","","- C27.5 H26.25 Ga N3.75 O3 -","- C27.5 H26.25 Ga N3.75 O3 -","- C110 H105 Ga4 N15 O12 -","4","2","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","","0.71073","MoKα","","0.0963","0.0484","","","0.1009","0.1193","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","250121","2020-10-21","18:00:00",""
"2243337","10.0704","0.0002","16.2514","0.0004","16.1749","0.0004","90","","99.13","0.002","90","","2613.62","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)indium(III) dichloromethane monosolvate","","- C27 H26 Cl2 In N3 O3 -","- C27 H26 Cl2 In N3 O3 -","- C108 H104 Cl8 In4 N12 O12 -","4","1","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","x-ray","0.71073","MoKα","","0.037","0.0294","","","0.0611","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","250121","2020-10-21","18:00:00",""
"2243338","12.7245","0.0007","9.5887","0.0006","23.7276","0.0014","90","","90","","90","","2895","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","LH5952","Daouda, Ballo; Tuo, Nanou Tiéba; Hökelek, Tuncer; Niameke Jean-Baptiste, Kangah; Charles Guillaume, Kodjo; Claude, Kablan Ahmont Landry; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2020","76","5","605","610","10.1107/S2056989020004284","","x-ray","0.71073","MoKα","","0.0631","0.0449","","","0.1105","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","250122","2020-10-21","18:00:00",""
"2243339","26.6519","0.0004","8.307","0.0002","9.7852","0.0002","90","","100.241","0.002","90","","2131.9","0.08","100","0.1","100","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(η^4^-Cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide","","- C18 H28 I Ir N4 -","- C18 H28 I Ir N4 -","- C72 H112 I4 Ir4 N16 -","4","0.5","","Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.","Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","Acta Crystallographica Section E","2020","76","5","611","614","10.1107/S2056989020004235","","x-ray","0.71073","MoKα","","0.0282","0.0243","","","0.0574","0.0585","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","250123","2020-10-21","18:00:00",""
"2243340","10.6041","0.0002","12.3058","0.0002","18.2513","0.0003","90","","90","","90","","2381.65","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(η^4^-Cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","","- C22 H36 I Ir N4 -","- C22 H36 I Ir N4 -","- C88 H144 I4 Ir4 N16 -","4","0.5","","Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.","Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","Acta Crystallographica Section E","2020","76","5","611","614","10.1107/S2056989020004235","","x-ray","0.71073","MoKα","","0.0679","0.0296","","","0.0519","0.0604","","","","","","1","","","","has coordinates,has Fobs","250123","2020-10-21","18:00:00",""
"2243341","24.292","0.0018","4.8348","0.0004","24.8761","0.0016","90","","116.272","0.002","90","","2619.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetraiodoethylene‒phenanthridine (1/2)","","- C14 H9 I2 N -","- C14 H9 I2 N -","- C112 H72 I16 N8 -","8","1","VM2225","Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun","Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes","Acta Crystallographica Section E","2020","76","3","438","442","10.1107/S2056989020002182","","","0.71073","MoKα","","0.0829","0.0429","","","0.0665","0.078","","","","","","1.031","","","","has coordinates,has Fobs","250390","2020-10-21","18:00:00",""
"2243342","7.3179","0.0004","8.1089","0.0005","11.3252","0.0007","97.05","0.002","92.059","0.002","95.579","0.002","663.02","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Tetraiodoethylene‒benzo[<i>f</i>]quinoline (1/2)","","- C14 H9 I2 N -","- C14 H9 I2 N -","- C28 H18 I4 N2 -","2","1","","Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun","Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes","Acta Crystallographica Section E","2020","76","3","438","442","10.1107/S2056989020002182","","","0.71073","MoKα","","0.0441","0.0276","","","0.0523","0.0578","","","","","","1.082","","","","has coordinates,has Fobs","250390","2020-10-21","18:00:00",""
"2243343","8.9995","0.0005","16.7778","0.0011","12.3595","0.0008","90","","98.892","0.006","90","","1843.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C18 H18 Cl N3 O2 S -","- C18 H18 Cl N3 O2 S -","- C72 H72 Cl4 N12 O8 S4 -","4","1","LH5946","Rao, H. Surya Prakash; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","3","443","445","10.1107/S2056989020002479","","","0.71073","MoKα","","0.0674","0.0487","","","0.1459","0.1614","","","","","","1.104","","","","has coordinates,has Fobs","250391","2020-10-21","18:00:00",""
"2243344","10.55","0.0008","9.3679","0.0006","16.5606","0.0015","90","","93.886","0.007","90","","1632.9","0.2","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(5-Benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","WM5541","Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses","Acta Crystallographica Section E","2020","76","3","432","437","10.1107/S2056989020002406","","","0.71073","MoKα","","0.1367","0.0534","","","0.1294","0.1575","","","","","","0.894","","","","has coordinates,has Fobs","250392","2020-10-21","18:00:00",""
"2243345","10.5976","0.0006","15.55","0.0007","10.3731","0.0007","90","","109.12","0.005","90","","1615.11","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","WM5541","Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses","Acta Crystallographica Section E","2020","76","3","432","437","10.1107/S2056989020002406","","","0.71073","MoKα","","0.095","0.0487","","","0.1175","0.1314","","","","","","0.975","","","","has coordinates,has Fobs","250392","2020-10-21","18:00:00",""
"2243346","13.033","0.005","12.877","0.01","9.028","0.003","90","","101.31","0.03","90","","1485.7","1.4","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-1,3-bis(3-carboxylatopropyl)tetramethyldisiloxane-κ^2^<i>O</i>:<i>O</i>']","","- C22 H48 N4 Ni O5 Si2 -","- C22 H48 N4 Ni O5 Si2 -","- C44 H96 N8 Ni2 O10 Si4 -","2","0.5","HB7892","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.","Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation","Acta Crystallographica Section E","2020","76","3","446","451","10.1107/S2056989020002327","","","0.71073","MoKα","","0.1114","0.0653","","","0.1328","0.1433","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","250393","2020-10-21","18:00:00",""
"2243347","9.3815","0.0007","12.9009","0.0008","14.7604","0.001","99.309","0.005","100.343","0.006","99.232","0.006","1700.9","0.2","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4-({[(3-carboxypropyl)dimethylsilyl]oxy}dimethylsilyl)butanoato-κ^2^<i>O</i>:<i>O</i>'] perchlorate]","","- C22 H49 Cl N4 Ni O9 Si2 -","- C22 H49 Cl N4 Ni O9 Si2 -","- C44 H98 Cl2 N8 Ni2 O18 Si4 -","2","1","HB7892","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.","Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation","Acta Crystallographica Section E","2020","76","3","446","451","10.1107/S2056989020002327","","x-ray","0.71073","MoKα","","0.0852","0.0498","","","0.1096","0.1149","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","250393","2020-10-21","18:00:00",""
"2243348","16.488","0.0005","17.0003","0.0005","17.0288","0.0005","91.9252","0.0012","97.8137","0.0012","117.349","0.0011","4175.2","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","Tris[9,9-dihexyl-2-(5-methoxypyridin-2-yl-κ<i>N</i>)-9<i>H</i>-fluoren-3-yl-κ<i>C</i>^3^]iridium pentane monosolvate","","- C98 H126 Ir N3 O3 -","- C98 H126 Ir N3 O3 -","- C196 H252 Ir2 N6 O6 -","2","1","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.074","0.0417","","","0.0688","0.0759","","","","","","0.911","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243349","12.2744","0.0007","17.6132","0.001","25.3966","0.0015","105.119","0.002","93.787","0.002","90.779","0.002","5286.2","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-chlorido-bis{bis[2-(5-fluoropyridin-2-yl)-9,9-dihexyl-9<i>H</i>-fluoren-3-yl]iridium} pentane 0.3-solvate","","- C121.5 H143.6 Cl2 F4 Ir2 N4 -","- C121.5 H143.6 Cl2 F4 Ir2 N4 -","- C243 H287.2 Cl4 F8 Ir4 N8 -","2","1","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.0807","0.0409","","","0.0896","0.1029","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243350","38.976","0.006","21.615","0.003","28.759","0.004","90","","108.92","0.003","90","","22919","6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-cyanato-bis{bis[9,9-dihexyl-2-(5-methoxypyridin-2-yl)-9<i>H</i>-fluoren-1-yl]iridium} pentane monosolvate","","- C131 H164 Ir2 N6 O6 -","- C126 H152 Ir2 N6 O6 -","- C1008 H1216 Ir16 N48 O48 -","8","2","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.1809","0.0771","","","0.1468","0.1845","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243351","11.8734","0.0005","14.2267","0.0006","16.6076","0.0007","110.386","0.002","106.524","0.002","96.303","0.002","2452","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","","{μ-<i>N</i>,<i>N</i>'-Bis[3,5-bis(trifluoromethyl)phenyl]oxamidato}bis(bis{2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>'}iridium)‒chlorobenzene‒pentane (1/2.3/0.4)","","- C113.8 H94.3 Cl2.3 F12 Ir2 N6 O2 -","- C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2 -","- C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2 -","1","0.5","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.0371","0.0283","","","0.0698","0.073","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243352","11.6882","0.0002","9.0903","0.0002","16.9533","0.0003","90","","105.105","0.001","90","","1739.04","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(2<i>Z</i>)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2<i>H</i>-\ 1,4-benzothiazin-4-yl]acetate","","- C19 H16 Cl N O3 S -","- C19 H16 Cl N O3 S -","- C76 H64 Cl4 N4 O12 S4 -","4","1","LH5950","Sebbar, Ghizlane; Mohamed, Ellouz; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Essassi, El Mokhtar; Belkadi, Bouchra","Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2<i>Z</i>)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetate","Acta Crystallographica Section E","2020","76","5","629","636","10.1107/S2056989020004119","","","1.54178","CuKα","","0.048","0.0394","","","0.0953","0.1014","","","","","","1.025","","","","has coordinates,has Fobs","250492","2020-10-21","18:00:00",""
"2243353","17.6928","0.0007","13.2512","0.0005","8.5916","0.0003","90","","90.184","0.002","90","","2014.3","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","WM5550","Bouzian, Younos; Kansiz, Sevgi; Mahi, Lhassane; Ahabchane, Noureddine Hamou; Mague, Joel T.; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2020","76","5","642","645","10.1107/S2056989020004521","","","1.54178","CuKα","","0.0645","0.0464","","","0.095","0.1046","","","","","","1.068","","","","has coordinates,has Fobs","250662","2020-10-21","18:00:00",""
"2243354","11.4982","0.0007","5.0086","0.0003","26.724","0.0016","90","","97.683","0.002","90","","1525.22","0.16","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-<i>N</i>-cyclohexylpenta-2,4-dienamide","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.0578","0.0488","","","0.1158","0.1211","","","","","","1.067","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243355","11.8747","0.001","7.2485","0.0006","30.392","0.002","90","","90","","90","","2616","0.4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.109","0.0502","","","0.1088","0.1433","","","","","","1.046","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243356","5.4945","0.0003","25.0707","0.0013","12.9811","0.0009","90","","93.497","0.006","90","","1784.83","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Butyl-2,6-bis(4-fluorophenyl)piperidin-4-one","","- C21 H23 F2 N O -","- C21 H23 F2 N O -","- C84 H92 F8 N4 O4 -","4","1","HB7882","Anitha, K.; Sivakumar, S.; Arulraj, R.; Rajkumar, K.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis(4-fluorophenyl)piperidin-4-one","Acta Crystallographica Section E","2020","76","5","651","655","10.1107/S2056989020004636","","","1.54184","CuKα","","0.0494","0.0448","","","0.1207","0.1264","","","","","","1.043","","","","has coordinates,has Fobs","250664","2020-10-21","18:00:00",""
"2243357","12.9328","0.0005","11.2551","0.0004","9.8092","0.0003","90","","106.245","0.004","90","","1370.82","0.09","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","FY2143","Sylla-Gueye, Rokhaya; Thiam, Ibrahima Elhadji; Orton, James; Coles, Simon; Gaye, Mohamed","Crystal structure of <i>N</i>'-[4-(dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2020","76","5","660","663","10.1107/S205698902000465X","","x-ray","0.71075","MoKα","","0.0553","0.0475","","","0.131","0.136","","","","","","1.057","","","","has coordinates,has Fobs","250665","2020-10-21","18:00:00",""
"2243358","11.8865","0.0006","5.1298","0.0003","28.2942","0.0014","90","","93.667","0.004","90","","1721.72","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","DJ2002","Nguyen Tien, Cong; Nguyen Tan, Quang; Pham Duc, Dung; Tran Hoang, Phuong; Nguyen Dang, Dat; Truong Minh, Luong; Van Meervelt, Luc","Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate","Acta Crystallographica Section E","2020","76","5","668","672","10.1107/S2056989020005071","","x-ray","0.71073","MoKα","","0.053","0.043","","","0.1032","0.1105","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","250921","2020-10-21","18:00:00",""
"2243359","6.3291","0.0011","9.8911","0.0017","21.133","0.004","76.48","0.002","84.965","0.003","73.891","0.002","1235.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","6-Bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C24 H30 Br2 N4 O2 -","- C24 H30 Br2 N4 O2 -","- C48 H60 Br4 N8 O4 -","2","1","WM5551","Jabri, Zainab; Jarmoni, Karim; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Kandri Rodi, Youssef; Misbahi, Khalid","Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2020","76","5","677","682","10.1107/S2056989020005228","","","0.71073","MoKα","","0.0481","0.0354","","","0.0904","0.0953","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","251006","2020-10-21","18:00:00",""
"2243360","7.9782","0.0004","8.1711","0.0005","12.6661","0.0007","92.214","0.002","93.423","0.001","114.274","0.001","749.55","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2<i>H</i>)-one","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C34 H32 N4 O6 S2 -","2","1","LH5956","Izuogu, David Chukwuma; Asegbeloyin, Jonnie Niyi; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2<i>H</i>)-one: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","5","697","702","10.1107/S2056989020005101","","","0.71073","MoKα","","0.0706","0.0479","","","0.1113","0.1224","","","","","","1.021","","","","has coordinates,has Fobs","251007","2020-10-21","18:00:00",""
"2243361","17.854","0.0011","11.5361","0.0006","18.5366","0.0012","90","","90","","90","","3817.9","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-[(<i>Z</i>)-2-(2<i>H</i>-1,3,2-Benzodioxaborol-2-yl)-2-phenylethenyl]-<i>N</i>-(propan-2-yl)aniline","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C184 H176 B8 N8 O16 -","8","2","LH5953","Gubler, Joël; Chen, Peter","Structure of a push‒pull olefin prepared by ynamine hydroboration with a borandiol ester","Acta Crystallographica Section E","2020","76","5","710","714","10.1107/S2056989020005289","","x-ray","0.71073","MoKα","","0.0536","0.0386","","","0.0798","0.0862","","","","","","1.027","","","","has coordinates,has Fobs","251008","2020-10-21","18:00:00",""
"2243362","10.9545","0.0005","11.8785","0.0005","18.8415","0.0008","105.266","0.001","97.446","0.001","106.12","0.001","2217.2","0.17","87","2","87","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis[μ~3~-2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido][μ~2~-2-(4,4-dimethyl-2-oxazolin-2-yl)aniline]tetrasodium(I)]","","- C44 H52 N8 Na4 O4 -","- C44 H52 N8 Na4 O4 -","- C88 H104 N16 Na8 O8 -","2","1","ZL2777","Gajecki, Leah; Twamley, Brendan; Berg, David J.","Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)","Acta Crystallographica Section E","2020","76","5","703","709","10.1107/S2056989020005034","","x-ray","0.71073","MoKα","","0.097","0.0659","","","0.1443","0.1577","","","","","","1.05","","","","has coordinates,has Fobs","251009","2020-10-21","18:00:00",""
"2243363","10.9428","0.0005","9.8253","0.0005","28.6089","0.0014","90","","94.722","0.001","90","","3065.5","0.3","86","2","86","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido]ytterbium(III)","","- C33 H39 N6 O3 Yb -","- C33 H39 N6 O3 Yb -","- C132 H156 N24 O12 Yb4 -","4","1","ZL2777","Gajecki, Leah; Twamley, Brendan; Berg, David J.","Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)","Acta Crystallographica Section E","2020","76","5","703","709","10.1107/S2056989020005034","","","0.71073","MoKα","","0.0435","0.032","","","0.0687","0.073","","","","","","1.07","","","","has coordinates,has Fobs","251009","2020-10-21","18:00:00",""
"2243364","9.909","0.007","10.193","0.006","12.024","0.008","90.94","0.02","106.27","0.02","92.75","0.02","1163.9","1.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(2-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C56 H42 Cl2 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0851","0.0576","","","0.1283","0.1554","","","","","","1.097","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243365","8.9959","0.0014","9.738","0.0015","13.637","0.002","95.901","0.004","94.122","0.004","95.959","0.004","1177.8","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C56 H42 Cl2 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.064","0.0481","","","0.1096","0.1249","","","","","","1.15","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243366","8.8615","0.0006","10.4973","0.0007","13.6588","0.001","79.006","0.003","89.412","0.003","80.971","0.003","1231.54","0.15","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","3-[3-Methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C64 H48 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0893","0.0698","","","0.1675","0.1874","","","","","","1.066","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243367","9.8432","0.0006","11.7441","0.0007","12.3005","0.0007","114.12","0.002","111.139","0.002","96.537","0.002","1152.06","0.12","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Azidophenyl)-3-[3-methyl-5-(2-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C52 H42 N10 O4 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0766","0.0497","","","0.1191","0.1475","","","","","","1.102","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243368","28.1916","0.0017","8.0537","0.0005","22.0446","0.0012","90","","109.07","0.001","90","","4730.5","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Azidophenyl)-3-[5-(2,4-dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C25 H17 Cl2 N5 O2 -","- C25 H17 Cl2 N5 O2 -","- C200 H136 Cl16 N40 O16 -","8","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.1132","0.0861","","","0.1458","0.1552","","","","","","1.358","","","","has coordinates,has disorder,has Fobs","251010","2020-10-21","18:00:00",""
"2243369","9.846","0.0008","22.4303","0.0018","11.049","0.0009","90","","104.157","0.002","90","","2366","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Azidophenyl)-3-[3-methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-on","","- C29 H21 N5 O2 -","- C29 H21 N5 O2 -","- C116 H84 N20 O8 -","4","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.1418","0.0632","","","0.1167","0.1539","","","","","","1.058","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243370","10.2365","0.0004","9.7989","0.0004","19.3759","0.0008","90","","103.333","0.002","90","","1891.14","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-Benzoyl-3,5-diphenylcyclohex-2-en-1-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","IS5536","Naghiyev, Farid N.; Akkurt, Mehmet; Askerov, Rizvan K.; Mamedov, Ibrahim G.; Rzayev, Rovnag M.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one","Acta Crystallographica Section E","2020","76","5","720","723","10.1107/S2056989020005381","","","0.71073","MoKα","","0.1095","0.0591","","","0.13","0.1488","","","","","","1.005","","","","has coordinates,has Fobs","251011","2020-10-21","18:00:00",""
"2243371","10.6878","0.0009","8.9088","0.0007","21.9503","0.0019","90","","99.049","0.003","90","","2064","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{[(Anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate#","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","WM5548","Ahmed, Adeeba; Ahmad, Aiman; Ahmad, Musheer; Kalibabchuk, Valentina A.","Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","5","728","731","10.1107/S2056989020005393","","","0.71073","MoKα","","0.0936","0.0571","","","0.1422","0.1835","","","","","","1.1201","","","","has coordinates,has Fobs","251176","2020-10-21","18:00:00",""
"2243372","25.5453","0.0007","13.4125","0.0004","11.8879","0.0004","90","","91.644","0.003","90","","4071.4","0.2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipyridinium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoic acid","","- C22 H15 F6 N O4 -","- C44 H30 F12 N2 O8 -","- C176 H120 F48 N8 O32 -","4","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0375","0.0334","","","0.0842","0.0868","","","","","","1.032","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243373","13.2518","0.0003","12.1773","0.0003","25.8419","0.0006","90","","90","","90","","4170.14","0.17","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate","","- C19 H20 F6 N2 O5 -","- C19 H20 F6 N2 O5 -","- C152 H160 F48 N16 O40 -","8","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0351","0.0315","","","0.0796","0.0819","","","","","","1.043","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243374","9.4693","0.0004","8.7384","0.0003","24.5049","0.0009","90","","91.792","0.001","90","","2026.7","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazol-3-ium benzoate","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","MW2157","Ahmed, Ruby; Doğan, Onur Erman; Ali, Farman; Ahmad, Musheer; Ahmed, Adeeba; Dege, Necmi; Golenia, Irina A.","Crystal structure and Hirshfeld surface analysis of 2-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazol-3-ium benzoate","Acta Crystallographica Section E","2020","76","5","724","727","10.1107/S2056989020005344","","","0.71073","MoKα","","0.054","0.0413","","","0.0936","0.1041","","","","","","1.098","","","","has coordinates,has Fobs","251178","2020-10-21","18:00:00",""
"2243375","15.6783","0.001","15.788","0.0014","8.7054","0.0005","90","","91.217","0.005","90","","2154.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol","","- C23 H28 F3 N O -","- C23 H28 F3 N O -","- C92 H112 F12 N4 O4 -","4","1","","Kan Kaynar, Nihal; Tanak, Hasan; Macit, Mustafa; Özdemir, Namık","Crystal structure and DFT computational studies of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol","Acta Crystallographica Section E","2020","76","5","732","735","10.1107/S205698902000537X","","","0.71073","MoKα","","0.114","0.0593","","","0.1279","0.1488","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","251179","2020-10-21","18:00:00",""
"2243376","9.0954","0.0007","13.4319","0.0009","14.7905","0.001","97.074","0.003","94.68","0.003","107.354","0.003","1698.1","0.2","113","2","113","","","","","","","","","7","P -1","-P 1","2","","Bis(1,2-diphenyl-2-sulfanylideneethanethiolato-κ^2^<i>S</i>,<i>S</i>')(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)cobalt(II) dichloromethane hemisolvate","","- C35 H34 Cl Co N3 P S4 -","- C35 H34 Cl Co N3 P S4 -","- C70 H68 Cl2 Co2 N6 P2 S8 -","2","1","ZL2776","Williams, DaShawn; Brannon, Jacob P.; Chandrasekaran, Perumalreddy; Stieber, S. Chantal E.","A five-coordinate cobalt bis(dithiolene)‒phosphine complex [Co(pdt)~2~(PTA)] (pdt = phenyldithiolene; PTA = 1,3,5-triaza-7-phosphaadamantane)","Acta Crystallographica Section E","2020","76","5","736","741","10.1107/S2056989020005447","","","0.71073","MoKα","","0.0356","0.0305","","","0.0783","0.0825","","","","","","1.056","","","","has coordinates,has Fobs","251180","2020-10-21","18:00:00",""
"2243377","19.0669","0.0009","14.2943","0.0006","19.345","0.0008","90","","95.1476","0.0018","90","","5251.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate","","- C43 H55 Cu5 Mn N9 O19 -","- C43 H55 Cu5 Mn N9 O19 -","- C172 H220 Cu20 Mn4 N36 O76 -","4","1","YK2128","Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: <i>cis</i>-diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","5","747","751","10.1107/S2056989020005770","","","0.71073","MoKα","","0.1115","0.0648","","","0.118","0.1434","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","251356","2020-10-21","18:00:00",""
"2243378","10.5673","0.0004","8.0182","0.0003","21.2318","0.001","90","","95.282","0.004","90","","1791.35","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","","- C19 H17 Cl N4 O2 -","- C19 H17 Cl N4 O2 -","- C76 H68 Cl4 N16 O8 -","4","1","HB7901","Pokhodylo, Nazariy; Slyvka, Yurii; Pavlyuk, Volodymyr","Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","Acta Crystallographica Section E","2020","76","5","756","760","10.1107/S2056989020005848","","","0.71073","MoKα","","0.1169","0.04","","","0.0493","0.0534","","","","","","1.053","","","","has coordinates,has Fobs","251357","2020-10-21","18:00:00",""
"2243379","4.9279","0.0001","10.635","0.0003","15.8788","0.0004","90","","90","","90","","832.18","0.04","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-Oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","ZL4038","Greene, John; Kopplin, Noa; Roireau, Jack; Bezpalko, Mark; Kassel, Scott; Giuliano, Michael W.; Giuliano, Robert","Synthesis and crystal structure of (2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","Acta Crystallographica Section E","2020","76","5","761","764","10.1107/S2056989020001292","","","0.71073","MoKα","","0.0334","0.0318","","","0.079","0.0801","","","","","","1.04","","","","has coordinates,has Fobs","251358","2020-10-21","18:00:00",""
"2243380","6.5915","0.0004","12.1969","0.001","15.5669","0.001","90","","97.617","0.008","90","","1240.47","0.15","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4'-(Propane-1,3-diyl)bis(4<i>H</i>-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)","","- C7 H12 F5 N6 O V -","- C7 H12 F5 N6 O V -","- C28 H48 F20 N24 O4 V4 -","4","1","HB7908","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Crystal structure and Hirshfeld surface analysis of 4,4'-(propane-1,3-diyl)bis(4<i>H</i>-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)","Acta Crystallographica Section E","2020","76","6","780","784","10.1107/S205698902000585X","","","0.71073","MoKα","","0.0317","0.0279","","","0.0788","0.0799","","","","","","1.006","","","","has coordinates,has Fobs","251391","2020-10-21","18:00:00",""
"2243381","8.2807","0.0001","14.1554","0.0001","17.502","0.0002","90","","98.92","0.001","90","","2026.71","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(pyridin-2-yl)benzene-1,3,5-tricarboxamide","","- C24 H18 N6 O3 -","- C24 H18 N6 O3 -","- C96 H72 N24 O12 -","4","1","HB7909","Senior, Levi; Linden, Anthony","The missing crystal structure in the series of <i>N</i>,<i>N</i>',<i>N</i>''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative","Acta Crystallographica Section E","2020","76","6","776","779","10.1107/S2056989020005599","","x-ray","1.54184","CuKα","","0.0328","0.0312","","","0.0868","0.0883","","","","","","1.048","","","","has coordinates,has Fobs","251392","2020-10-21","18:00:00",""
"2243382","7.7054","0.0005","7.724","0.0005","8.5606","0.0005","103.659","0.005","98.803","0.005","110.273","0.005","448.74","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis{chlorido[methyl(pyridin-2-ylmethylidene)amine-κ^2^<i>N</i>,<i>N</i>']copper(II)}","","- C14 H16 Cl4 Cu2 N4 -","- C14 H16 Cl4 Cu2 N4 -","- C14 H16 Cl4 Cu2 N4 -","1","0.5","PK2625","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Melnyk, Andrii K.; Skelton, Brian W.","Crystal structure and characterization of a new copper(II) chloride dimer with methyl(pyridin-2-ylmethylidene)amine","Acta Crystallographica Section E","2020","76","6","790","793","10.1107/S2056989020005903","","","0.71073","MoKα","","0.0241","0.0207","","","0.0526","0.054","","","","","","1.076","","","","has coordinates,has Fobs","251806","2020-10-21","18:00:00",""
"2243383","9.071","0.0004","12.0526","0.0007","24.612","0.0011","90","","95.999","0.004","90","","2676.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)phenol","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","LH5957","Daouda, Ballo; Tuo, Nanou Tiéba; Kangah, Niameke Jean-Baptiste; Hökelek, Tuncer; Kodjo, Charles Guillaume; Retailleau, Pascal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)phenol","Acta Crystallographica Section E","2020","76","6","798","802","10.1107/S2056989020005939","","x-ray","0.71073","MoKα","","0.0718","0.0462","","","0.1099","0.1203","","","","","","1.033","","","","has coordinates,has Fobs","251807","2020-10-21","18:00:00",""
"2243384","11.3214","0.0009","6.7426","0.0006","14.9478","0.0012","90","","107.234","0.009","90","","1089.82","0.17","213","2","213","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-Diethynyladamantane","","","- C14 H16 -","- C14 H16 -","- C56 H64 -","4","1","LH5958","Domasevitch, Kostiantyn V.; Degtyarenko, Anna S.","Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane","Acta Crystallographica Section E","2020","76","6","807","810","10.1107/S2056989020005964","","","0.71073","MoKα","","0.0577","0.0441","","","0.1197","0.1243","","","","","","0.986","","","","has coordinates,has Fobs","251808","2020-10-21","18:00:00",""
"2243385","6.8817","0.001","28.249","0.004","8.1369","0.0013","90","","99.649","0.012","90","","1559.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine","Acta Crystallographica Section E","2020","76","6","794","797","10.1107/S2056989020005952","","","0.71073","MoKα","","0.076","0.0366","","","0.066","0.073","","","","","","0.827","","","","has coordinates,has Fobs","251809","2020-10-21","18:00:00",""
"2243386","6.073","0.0003","15.9782","0.0009","16.386","0.0007","90","","90","","90","","1590.03","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-{2,2-Dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H14 Cl2 F N3 -","- C16 H14 Cl2 F N3 -","- C64 H56 Cl8 F4 N12 -","4","1","VM2232","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Shikhaliyeva, Irada M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","6","811","815","10.1107/S2056989020006106","","","0.71073","MoKα","","0.0473","0.034","","","0.0775","0.0844","","","","","","1.05","","","","has coordinates,has Fobs","251889","2020-10-21","18:00:00",""
"2243387","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol monosolvate","2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid ethanol monosolvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","FY2145","Gelbrich, Thomas; Kahlenberg, Volker; Adamer, Verena; Nerdinger, Sven; Griesser, Ulrich J.","Febuxostat ethanol monosolvate","Acta Crystallographica Section E","2020","76","6","816","819","10.1107/S2056989020006076","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates,has Fobs","252015","2020-10-21","18:00:00",""
"2243388","7.882","0.0005","15.2092","0.0011","13.9871","0.0009","90","","103.367","0.002","90","","1631.33","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-κ<i>N</i>)vanadium(IV)","","- C15 H19 N O5 V -","- C15 H19 N O5 V -","- C60 H76 N4 O20 V4 -","4","0.5","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0303","0.0267","","","0.0708","0.0725","","","","","","1.062","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243389","9.193","0.0009","13.508","0.0009","13.3651","0.0009","90","","99.03","0.003","90","","1639.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-4-carbonitrile-κ<i>N</i>)vanadium(IV)","","- C16 H18 N2 O5 V -","- C16 H18 N2 O5 V -","- C64 H72 N8 O20 V4 -","4","0.5","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0314","0.0265","","","0.0691","0.0714","","","","","","1.08","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243390","9.6619","0.0015","11.9922","0.0019","15.344","0.002","90","","94.651","0.002","90","","1772","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methoxypyridine-κ<i>N</i>)oxidovanadium(IV)","","- C16 H21 N O6 V -","- C16 H21 N O6 V -","- C64 H84 N4 O24 V4 -","4","1","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0397","0.0302","","","0.0755","0.0806","","","","","","1.047","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243391","7.7343","0.0003","46.8973","0.0016","13.258","0.0005","90","","99.211","0.001","90","","4746.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II) 3,4-ethylenedioxythiophene trisolvate","","- C48 H20 Cu F20 O10 S3 -","- C48 H20 Cu F20 O10 S3 -","- C192 H80 Cu4 F80 O40 S12 -","4","1","TX2020","Habuka, Yusuke; Takeuchi, Emily Ami; Hori, Akiko","Co-crystal structure, Hirshfeld surface analysis and DFT studies of 3,4-ethylenedioxythiophene solvated bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section E","2020","76","6","820","825","10.1107/S2056989020006155","","","0.71073","MoKα","","0.0537","0.049","","","0.1028","0.1059","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","252094","2020-10-21","18:00:00",""
"2243392","10.6829","0.0006","13.1701","0.0006","13.5563","0.0007","90","","108.97","0.005","90","","1803.71","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Fluorophenyl)piperazin-1-ium 2-hydroxy-3,5-dinitrobenzoate","","- C17 H17 F N4 O7 -","- C17 H17 F N4 O7 -","- C68 H68 F4 N16 O28 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0614","0.0407","","","0.0979","0.1078","","","","","","1.025","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243393","17.0606","0.0006","5.782","0.0002","12.5815","0.0005","90","","102.761","0.004","90","","1210.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Fluorophenyl)piperazin-1-ium hydrogen oxalate","","- C12 H15 F N2 O4 -","- C12 H15 F N2 O4 -","- C48 H60 F4 N8 O16 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0395","0.0325","","","0.0855","0.0893","","","","","","1.034","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243394","7.0961","0.0004","7.4967","0.0004","30.757","0.002","90","","90","","90","","1636.19","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(4-Fluorophenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","","- C14 H21 F N2 O7 -","- C14 H21 F N2 O7 -","- C56 H84 F4 N8 O28 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0699","0.045","","","0.0768","0.0846","","","","","","1.14","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243395","12.0423","0.0008","12.3722","0.0008","12.6875","0.0009","102.839","0.003","111.628","0.003","90.722","0.004","1704","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-3-chlorobenzoato)hexakis(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium(I)","","- C60 H66.01 Cl2 Mn4 N10 Na2 O22 -","- C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016 -","- C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016 -","1","0.5","MW2160","Zaleski, Curtis M.; Zeller, Matthias","Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O","Acta Crystallographica Section E","2020","76","6","848","856","10.1107/S2056989020006362","","","1.54178","CuKα","","0.0542","0.045","","","0.1233","0.1284","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","252206","2020-10-21","18:00:00",""
"2243396","14.1955","0.0009","16.3349","0.0011","16.6144","0.001","90","","94.235","0.002","90","","3842.1","0.4","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tris(μ-3-chlorobenzoato)(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentamanganese(III)sodium(I) dimethylformamide tetraolvate 0.72-hydrate","","- C64 H72.44 Cl3 Mn5 N9 Na O27.72 -","- C64 H72.436 Cl3 Mn5 N9 Na O27.718 -","- C128 H144.872 Cl6 Mn10 N18 Na2 O55.436 -","2","1","","Zaleski, Curtis M.; Zeller, Matthias","Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O","Acta Crystallographica Section E","2020","76","6","848","856","10.1107/S2056989020006362","","","0.71073","MoKα","","0.0429","0.0342","","","0.0863","0.0913","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","252206","2020-10-21","18:00:00",""
"2243397","7.7817","0.0002","9.5743","0.0003","11.1516","0.0004","113.721","0.003","90.064","0.002","112.397","0.003","691.47","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis[(pyridin-4-yl)methyl]ethanediamide‒3-chlorobenzoic acid (1/1)","","- C14 H12 Cl N2 O3 -","- C14 H12 Cl N2 O3 -","- C28 H24 Cl2 N4 O6 -","2","1","WM5558","Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]ethanediamide and 3-chlorobenzoic acid","Acta Crystallographica Section E","2020","76","6","870","876","10.1107/S2056989020006568","","x-ray","1.54184","CuKα","","0.0514","0.0469","","","0.1234","0.1277","","","","","","1.069","","","","has coordinates,has Fobs","252207","2020-10-21","18:00:00",""
"2243398","26.225","0.006","7.9955","0.0017","13.772","0.003","90","","111.08","0.003","90","","2694.5","1","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2'-(4-Nitrobenzoyloxy)acetophenone 0.07-hydrate","2-Acetylphenyl 4-nitrobenzoate 0.07-hydrate","","- C15 H11.15 N O5.07 -","- C15 H11.148 N O5.074 -","- C120 H89.184 N8 O40.592 -","8","1","DJ2001","Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers","Acta Crystallographica Section E","2020","76","6","857","861","10.1107/S2056989020006295","","","0.71073","MoKα","","0.0606","0.0421","","","0.106","0.1164","","","","","","1.046","","","","has coordinates,has Fobs","252208","2020-10-21","18:00:00",""
"2243399","12.209","0.005","14.307","0.006","7.418","0.003","90","","92.815","0.007","90","","1294.2","0.9","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2'-(2-Nitrobenzoyloxy)acetophenone","2-Acetylphenyl 2-nitrobenzoate","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","","Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers","Acta Crystallographica Section E","2020","76","6","857","861","10.1107/S2056989020006295","","","0.71073","MoKα","","0.0505","0.0402","","","0.114","0.1216","","","","","","1.058","","","","has coordinates,has Fobs","252208","2020-10-21","18:00:00",""
"2243400","12.9844","0.0002","11.9583","0.0001","19.3729","0.0002","90","","90","","90","","3008.06","0.06","100","2","100.15","","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-Cyclopropyl-1,3-diphenylfulvene","5-(Cyclopropylmethylidene)-1,3-diphenylcyclopenta-1,3-diene","","- C21 H18 -","- C21 H18 -","- C168 H144 -","8","1","YK2129","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0406","0.0356","","","0.0911","0.094","","","","","","1.081","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243401","7.3431","0.0001","11.5468","0.0001","25.7555","0.0003","90","","90","","90","","2183.79","0.04","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-(3,4-Dimethoxynaphthalen-2-yl)-1,3-diphenylfulvene","5-[(3,4-Dimethoxynaphthalen-2-yl)methylidene]-1,3-diphenylcyclopenta-1,3-diene","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0374","0.0335","","","0.0794","0.0816","","","","","","1.042","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243402","10.7716","0.001","7.4153","0.0013","38.175","0.007","90","","92.311","0.005","90","","3046.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gefitinib‒azelaic acid (1/1)","Quinazolin-4-amine‒nonanedioic acid (1/1)","","- C31 H40 Cl F N4 O7 -","- C31 H40 Cl F N4 O7 -","- C124 H160 Cl4 F4 N16 O28 -","4","1","PK2627","George, Christy P.; Sangtani, Ekta; Gonnade, Rajesh G.","Crystal structure of a 1:1 co-crystal of the anticancer drug gefitinib with azelaic acid","Acta Crystallographica Section E","2020","76","6","884","888","10.1107/S2056989020006623","","","0.71073","MoKα","","0.0697","0.0452","","","0.1005","0.1103","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","252316","2020-10-21","18:00:00",""
"2243403","8.8581","0.0019","9.183","0.002","13.021","0.003","106.474","0.003","109.398","0.003","93.383","0.003","944.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-Hexyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C22 H25 N O S -","- C22 H25 N O S -","- C44 H50 N2 O2 S2 -","2","1","EX2032","Sebbar, Ghizlane; Hni, Brahim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Belkadi, Bouchra; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of (<i>Z</i>)-4-hexyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2020","76","6","889","895","10.1107/S205698902000657X","","","0.71073","MoKα","","0.0588","0.046","","","0.1262","0.1335","","","","","","1.077","","","","has coordinates,has Fobs","252317","2020-10-21","18:00:00",""
"2243404","16.326","0.004","8.0566","0.0019","20.565","0.005","90","","104.497","0.006","90","","2618.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-{[6,7-Dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one methanol monosolvate","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C120 H120 N16 O24 -","4","1","","Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin","Stereochemistry of the methylidene-bridged quinazoline-isoquinoline alkaloid 3-{[6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one methanol monosolvate","Acta Crystallographica Section E","2020","76","6","914","919","10.1107/S2056989020006696","","","0.71073","MoKα","","0.1171","0.0608","","","0.1427","0.1641","","","","","","1.037","","","","has coordinates,has Fobs","252318","2020-10-21","18:00:00",""
"2243405","9.3581","0.0005","10.5306","0.0006","17.0141","0.001","90","","91.967","0.002","90","","1675.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diethyl 5-(2-cyanophenoxy)isophthalate","Diethyl 5-(2-cyanophenoxy)benzene-1,3-dicarboxylate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","EX2031","Muslim, Mohd; Ali, Arif; Kamaal, Saima; Ahmad, Musheer; Afzal, Mohd; Plutenko, Maksym O.","Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyanophenoxy)isophthalate","Acta Crystallographica Section E","2020","76","6","905","908","10.1107/S2056989020004508","","","0.71073","MoKα","","0.0674","0.0442","","","0.0933","0.1097","","","","","","1.0988","","","","has coordinates,has Fobs","252319","2020-10-21","18:00:00",""
"2243406","11.5171","0.0005","4.4212","0.0002","13.9752","0.0007","90","","104.698","0.003","90","","688.32","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~3~-3,4-diaminobenzoato-κ^3^<i>N</i>^3^,<i>O</i>,<i>O</i>')manganese(II)]","","- C14 H14 Mn N4 O4 -","- C14 H14 Mn N4 O4 -","- C28 H28 Mn2 N8 O8 -","2","0.5","IS5538","Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.","Hydrothermal synthesis and crystal structure of poly[bis(μ~3~-3,4-diaminobenzoato)manganese], a layered coordination polymer","Acta Crystallographica Section E","2020","76","6","909","913","10.1107/S2056989020006805","","","0.71073","MoKα","","0.0423","0.031","","","0.0697","0.0742","","","","","","1.048","","","","has coordinates,has Fobs","252320","2020-10-21","18:00:00",""
"2243407","25.39","0.004","7.3865","0.001","18.2424","0.0016","90","","98.161","0.01","90","","3386.6","0.8","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4,4'-(diphenylsilanediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>'] sesquihydrate]","","- C72 H90 N8 Ni2 O11 Si2 -","- C72 H90 N8 Ni2 O11 Si2 -","- C144 H180 N16 Ni4 O22 Si4 -","2","0.25","HB7914","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.","Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]^2+^ cation and the dianion of diphenylsilanediylbis(4-benzoic acid)","Acta Crystallographica Section E","2020","76","6","929","932","10.1107/S2056989020006544","","","0.71073","MoKα","","0.1131","0.0658","","","0.1199","0.1466","","","","","","1.027","","","","has coordinates,has Fobs","252477","2020-10-21","18:00:00",""
"2243408","11.3654","0.001","14.243","0.0012","25.168","0.002","90","","91.207","0.001","90","","4073.2","0.6","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate","","- C51 H42 O5 -","- C51 H42 O5 -","- C204 H168 O20 -","4","1","","Meng, Xiang-Zhen; Cheng, Dong","Crystal structure of dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate","Acta Crystallographica Section E","2020","76","6","954","957","10.1107/S2056989020006404","","","0.71073","MoKα","","0.0741","0.056","","","0.1535","0.1694","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","252478","2020-10-21","18:00:00",""
"2243409","7.9074","0.001","12.4794","0.0016","10.6248","0.0014","90","","102.394","0.003","90","","1024","0.2","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C48 H40 N4 O12 -","2","0.5","YK2130","Bogdanov, Georgii; Oskolkov, Evgenii; Bustos, Jenna; Glebov, Viktor; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, optical properties and DFT studies of 1,4-dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene","Acta Crystallographica Section E","2020","76","6","940","943","10.1107/S205698902000674X","","","0.71073","MoKα","","0.0712","0.0475","","","0.1251","0.1451","","","","","","1.035","","","","has coordinates,has Fobs","252479","2020-10-21","18:00:00",""
"2243410","9.7123","0.0008","23.4964","0.0019","7.6264","0.0006","90","","97.052","0.004","90","","1727.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Bromoanilinium nitrate","<i>p</i>-Bromoanilinium nitrate","","- C6 H7 Br N2 O3 -","- C6 H7 Br N2 O3 -","- C48 H56 Br8 N16 O24 -","8","2","MW2155","Anbarasan, Radhakrishnan; Eniya, Palaniyasan; Kalyana Sundar, Jeyaperumal; Mengesha Woldemariam, Menberu","Crystal structure and Hirshfeld surface analysis of 4-bromoanilinium nitrate","Acta Crystallographica Section E","2020","76","6","973","976","10.1107/S2056989020006945","","","0.71073","MoKα","","0.1304","0.0593","","","","0.1828","","","","","","1.022","","","","has coordinates","252480","2020-10-21","18:00:00",""
"2243411","7.0008","0.0013","5.5112","0.001","18.544","0.003","90","","100.155","0.004","90","","704.3","0.2","100","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Octyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C14 H26 O4 -","- C14 H26 O4 -","- C28 H52 O8 -","2","1","ZQ2253","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.0493","0.0422","","","0.1062","0.1099","","","","","","1.101","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243412","6.9892","0.0002","5.4888","0.0002","20.8041","0.0006","90","","91.302","0.003","90","","797.89","0.04","99.99","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Decyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C16 H30 O4 -","- C16 H30 O4 -","- C32 H60 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","1.54184","CuKα","","0.0464","0.0422","","","0.115","0.1183","","","","","","1.072","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243413","7.025","0.0005","5.4674","0.0005","23.377","0.002","90","","97.051","0.009","90","","891.08","0.13","99.8","0.4","99.8","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Dodecyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C18 H34 O4 -","- C18 H34 O4 -","- C36 H68 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.1043","0.0824","","","0.1887","0.2015","","","","","","1.103","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243414","7.04","0.006","5.438","0.005","25.56","0.02","90","","91.914","0.009","90","","978","1.4","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Tetradecyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C20 H38 O4 -","- C20 H38 O4 -","- C40 H76 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.089","0.0554","","","0.1252","0.1401","","","","","","1.038","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243415","6.8291","0.0005","7.867","0.0011","15.814","0.003","100.607","0.011","99.011","0.01","105.054","0.007","787.5","0.2","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate","","- C13 H19 N O8 -","- C13 H19 N O8 -","- C26 H38 N2 O16 -","2","1","HB7916","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.","1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","6","967","972","10.1107/S205698902000701X","","","0.71073","MoKα","","0.11","0.0419","","","0.104","0.1279","","","","","","0.986","","","","has coordinates,has Fobs","252483","2020-10-21","18:00:00",""
"2243416","19.1636","0.0011","6.0482","0.0003","17.023","0.001","90","","104.37","0.005","90","","1911.33","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","WM5556","Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.","Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine","Acta Crystallographica Section E","2020","76","6","920","923","10.1107/S2056989020006611","","","0.71073","MoKα","","0.1308","0.0555","","","0.0725","0.0872","","","","","","0.956","","","","has coordinates,has Fobs","252484","2020-10-21","18:00:00",""
"2243417","9.3","0.0003","7.9798","0.0002","13.2586","0.0004","90","","106.872","0.001","90","","941.6","0.05","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aquahemi[μ~2~-3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine](μ~3~-sulfato)cadmium(II)]","","- C5 H6 Cd N4 O5 S -","- C5 H6 Cd N4 O5 S -","- C20 H24 Cd4 N16 O20 S4 -","4","1","WM5546","Jiajaroen, Suwadee; Chainok, Kittipong","Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand","Acta Crystallographica Section E","2020","76","6","958","961","10.1107/S2056989020006830","","x-ray","0.71073","MoKα","","0.0144","0.0144","","","0.037","0.037","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","252485","2020-10-21","18:00:00",""
"2243418","7.1608","0.0002","8.8771","0.0002","10.0728","0.0002","96.815","0.002","96.057","0.002","95.99","0.002","627.78","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C24 H32 N4 O6 S2 -","2","1","HB7918","Tan, Sang Loon; Tiekink, Edward R. T.","2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","6","933","939","10.1107/S2056989020006829","","x-ray","1.54184","CuKα","","0.0279","0.0272","","","0.0713","0.072","","","","","","1.018","","","","has coordinates,has Fobs","252486","2020-10-21","18:00:00",""
"2243419","16.212","0.003","5.9584","0.0012","19.45","0.004","90","","110.537","0.003","90","","1759.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","WM5559","Taia, Abdelmaoujoud; Essaber, Mohamed; Aatif, Abdeljalil; Chkirate, Karim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2020","76","6","962","966","10.1107/S2056989020006994","","","0.71073","MoKα","","0.0507","0.0437","","","0.1278","0.1324","","","","","","1.093","","","","has coordinates,has Fobs","252487","2020-10-21","18:00:00",""
"2243420","5.1245","0.0001","12.0491","0.0002","15.7118","0.0003","90","","90","","90","","970.13","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Strontium tetracobalt tris(orthophosphate) hydroxide","","- Co4 H O13 P3 Sr -","- Co4 H O13 P3 Sr -","- Co16 H4 O52 P12 Sr4 -","4","1","WM5562","Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Aride, Jilali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of SrCo~4~(OH)(PO~4~)~3~, a new hydroxyphosphate","Acta Crystallographica Section E","2020","76","7","1022","1026","10.1107/S2056989020007331","","","0.71073","MoKα","","0.0236","0.0215","","","0.0494","0.0498","","","","","","1.069","","","","has coordinates,has Fobs","252978","2020-10-21","18:00:00",""
"2243421","7.209","0.0007","8.1422","0.0008","12.3904","0.0014","71.842","0.012","74.702","0.012","72.694","0.012","647.93","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","[μ~2~-2,5,8,11,14,17-Hexathia-[9.9](2,6,3,5)-pyrazinophane]bis[bromidocopper(II)] dibromide","","- C16 H24 Br4 Cu2 N2 S6 -","- C16 H24 Br4 Cu2 N2 S6 -","- C16 H24 Br4 Cu2 N2 S6 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane","Acta Crystallographica Section E","2020","76","7","984","989","10.1107/S2056989020007161","","","0.71073","MoKα","","0.0696","0.06","","","0.1485","0.1529","","","","","","1.006","","","","has coordinates,has Fobs","252979","2020-10-21","18:00:00",""
"2243422","7.7713","0.0008","8.9456","0.0009","11.2464","0.0014","106.839","0.013","104.644","0.013","93.412","0.012","716.53","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~2~-2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane]tetra-μ-iodido-tetracopper(I)]","","- C16 H24 Cu4 I4 N2 S6 -","- C16 H24 Cu4 I4 N2 S6 -","- C16 H24 Cu4 I4 N2 S6 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane","Acta Crystallographica Section E","2020","76","7","984","989","10.1107/S2056989020007161","","","0.71073","MoKα","","0.0923","0.0699","","","0.176","0.1834","","","","","","0.95","","","","has coordinates,has Fobs","252979","2020-10-21","18:00:00",""
"2243423","23.5593","0.0011","9.2849","0.0005","7.7927","0.0004","90","","104.009","0.001","90","","1653.92","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione","","- C7 H5 F N4 S -","- C7 H5 F N4 S -","- C56 H40 F8 N32 S8 -","8","1","YK2131","Askerov, Rizvan K.; Maharramov, Abel M.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Osmanov, V. K.; Borisov, A. V.","Crystal structure and Hirshfeld surface analysis of 1-(2-fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","7","1007","1011","10.1107/S2056989020007033","","","0.71073","MoKα","","0.0418","0.0364","","","0.0927","0.0983","","","","","","1.001","","","","has coordinates,has Fobs","252980","2020-10-21","18:00:00",""
"2243424","9.3903","0.0007","26.8178","0.0019","11.5639","0.0008","90","","101.635","0.002","90","","2852.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(diethylamino)-2-[(2-hydroxybenzylidene)amino]spiro[isoindoline-1,9'-xanthen]-3-one","","- C35 H36 N4 O3 -","- C35 H36 N4 O3 -","- C140 H144 N16 O12 -","4","1","ZQ2251","Suramitr, Songwut; Teanwarawat, Jitpinan; Ithiapa, Nuttapong; Wattanathana, Worawat; Suramitr, Anwaraporn","Crystal structure, Hirshfeld surface analysis and computational study of a rhodamine B‒salicylaldehyde Schiff base derivative","Acta Crystallographica Section E","2020","76","7","1027","1032","10.1107/S2056989020007197","","","1.54178","CuKα","","0.0416","0.0415","","","0.0991","0.0992","","","","","","1.066","","","","has coordinates,has Fobs","252981","2020-10-21","18:00:00",""
"2243425","8.3146","0.0003","8.6714","0.0004","14.5827","0.0006","90.534","0.004","104.376","0.004","101.135","0.003","997.49","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(pyridine-κ<i>N</i>)platinum(II)","","- C20 H24 Cl N O4 Pt -","- C20 H24 Cl N O4 Pt -","- C40 H48 Cl2 N2 O8 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","","0.71073","MoKα","","0.0201","0.0183","","","0.0386","0.0395","","","","","","1.054","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243426","8.36089","0.00015","9.12717","0.00016","14.5582","0.0003","94.9089","0.0015","102.277","0.0016","100.454","0.0015","1058.58","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(4-methylpyridine-κ<i>N</i>)platinum(II)","","- C21 H26 Cl N O4 Pt -","- C21 H26 Cl N O4 Pt -","- C42 H52 Cl2 N2 O8 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","","0.71073","MoKα","","0.0132","0.0128","","","0.0325","0.0327","","","","","","1.123","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243427","7.8746","0.0002","9.7566","0.0002","15.0004","0.0004","95.782","0.002","102.874","0.002","93.843","0.002","1113.02","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(pyridine-4-carboxylic acid-κN)platinum(II)","","- C21 H24 Cl N O6 Pt -","- C21 H24 Cl N O6 Pt -","- C42 H48 Cl2 N2 O12 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","x-ray","0.71073","MoKα","","0.0292","0.0268","","","0.0659","0.0683","","","","","","1.051","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243428","12.87828","0.00018","6.88418","0.0001","16.208","0.0002","90","","108.151","0.0008","90","","1365.44","0.03","173","2","172.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>,<i>N</i>-Diisopropyl-4-methylbenzenesulfonamide","","- C13 H21 N O2 S -","- C13 H21 N O2 S -","- C52 H84 N4 O8 S4 -","4","2","PK2628","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of <i>N</i>,<i>N</i>-diisopropyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1018","1021","10.1107/S2056989020007185","","","1.54178","CuKα","","0.0436","0.0422","","","0.1079","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","252984","2020-10-21","18:00:00",""
"2243429","21.1326","0.001","8.547","0.0004","29.9188","0.0014","90","","90","","90","","5403.9","0.4","88","2","88","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Aqua(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒<i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide (1/1/1)","","- C43 H88 K2 N6 O14 -","- C43 H88 K2 N6 O14 -","- C172 H352 K8 N24 O56 -","4","1","MW2161","Chung, Amanda B.; Ziller, Joseph W.; Evans, William J.","Reductive cleavage of <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide generates <i>tert</i>-butylcyanamide ligands, (Me~3~CNCN)^{-^}, that bind potassium both end-on and side-on in the same single crystal","Acta Crystallographica Section E","2020","76","7","1047","1050","10.1107/S205698902000732X","","","0.71073","MoKα","","0.0455","0.0326","","","0.0606","0.0649","","","","","","1.017","","","","has coordinates,has Fobs","253057","2020-10-21","18:00:00",""
"2243430","9.7515","0.0005","9.8203","0.0005","26.6696","0.0016","92.338","0.002","91.212","0.002","94.048","0.002","2544.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-{2,2-Dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H14 Cl3 N3 -","- C16 H14 Cl3 N3 -","- C96 H84 Cl18 N18 -","6","3","WM5554","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mukhtarova, Sevinc H.; Suleymanova, Gulnar T.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","7","1033","1037","10.1107/S2056989020007549","","","0.71073","MoKα","","0.069","0.0412","","","0.0996","0.1154","","","","","","1.011","","","","has coordinates,has Fobs","253058","2020-10-21","18:00:00",""
"2243431","8.6313","0.0006","10.8378","0.0009","13.384","0.001","66.645","0.008","79.287","0.008","85.151","0.008","1129.3","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{[4-(3-phenyl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamide ethanol monosolvate","","- C21 H21 N7 O4 S -","- C21 H21 N7 O4 S -","- C42 H42 N14 O8 S2 -","2","1","WM5563","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates","Acta Crystallographica Section E","2020","76","7","1057","1061","10.1107/S2056989020007483","","","0.71073","MoKα","","0.0668","0.0402","","","0.1052","0.1156","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","253059","2020-10-21","18:00:00",""
"2243432","8.5631","0.0005","11.1242","0.0008","13.5632","0.0009","70.244","0.006","76.086","0.007","84.058","0.006","1179.92","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-({4-[3-(4-Methylphenyl)-4-sydnonylideneamino]-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl}methyl)benzamide ethanol monosolvate","","- C22 H23 N7 O4 S -","- C22 H23 N7 O4 S -","- C44 H46 N14 O8 S2 -","2","1","WM5563","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates","Acta Crystallographica Section E","2020","76","7","1057","1061","10.1107/S2056989020007483","","","0.71073","MoKα","","0.1177","0.0617","","","0.0997","0.1171","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","253059","2020-10-21","18:00:00",""
"2243433","7.1195","0.0004","12.3172","0.0006","19.859","0.0012","90","","91.16","0.005","90","","1741.12","0.17","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C10 H28 Cu N2 O8 -","- C10 H28 Cu N2 O8 -","- C40 H112 Cu4 N8 O32 -","4","1","PK2626","Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Iskenderov, Turganbay S.","Crystal structure and Hirshfeld surface analysis of one-dimensional copper(II) coordination polymer incorporating succinate and tetramethylethylenediamine ligands","Acta Crystallographica Section E","2020","76","7","1038","1041","10.1107/S2056989020007227","","","0.71073","MoKα","","0.0439","0.0338","","","0.0874","0.0914","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","253060","2020-10-21","18:00:00",""
"2243434","11.4312","0.0014","9.3013","0.001","18.737","0.003","90","","104.695","0.004","90","","1927","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-[(1-benzyl-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl)formamido]propanoate","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","HB7921","Caracelli, Ignez; Zukerman-Schpector, Julio; Kwong, Huey Chong; Tiekink, Edward R. T.","Methyl 3-[(1-benzyl-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","7","1051","1056","10.1107/S2056989020007380","","","0.71073","MoKα","","0.0975","0.0771","","","0.1918","0.2035","","","","","","1.084","","","","has coordinates,has Fobs","253061","2020-10-21","18:00:00",""
"2243435","13.0747","","10.9656","","7.5822","","90","","90","","90","","1087.07","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243436","13.1334","","10.6781","","7.6125","","90","","90","","90","","1067.57","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243437","12.9747","","10.5449","","7.48","","90","","90","","90","","1023.39","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243438","15.9353","0.0009","10.3526","0.0006","14.8486","0.0009","90","","115.135","0.0006","90","","2217.7","0.2","173","2","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Methyl-<i>N</i>-propylbenzenesulfonamide","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C80 H120 N8 O16 S8 -","8","2","WM5567","Stenfors, Brock A.; Collins, Rachel C.; Duran, Jonah R. J.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-<i>N</i>-propylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1070","1074","10.1107/S2056989020007756","","","0.71073","MoKα","","0.0318","0.0308","","","0.0816","0.0828","","","","","","1.024","","","","has coordinates,has Fobs","253147","2020-10-21","18:00:00",""
"2243439","23.6396","0.0005","8.2906","0.0002","24.7683","0.0005","90","","110.013","0.001","90","","4561.13","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C23 H24 N2 O9 -","- C23 H24 N2 O9 -","- C184 H192 N16 O72 -","8","1","HB7923","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.","4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","7","1080","1086","10.1107/S2056989020007914","","","0.71073","MoKα","","0.0465","0.0409","","","0.1074","0.1123","","","","","","1.012","","","","has coordinates,has Fobs","253201","2020-10-21","18:00:00",""
"2243440","22.927","0.004","5.9315","0.0006","17.191","0.002","90","","97.734","0.012","90","","2316.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[(<i>E</i>)-4-(Heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine","","- C27 H28 N2 O S -","- C27 H28 N2 O S -","- C108 H112 N8 O4 S4 -","4","1","PK2631","Sheakh Mohamad, Ropak A.; Aziz, Hashim J.; Hamad, Wali M.","Crystal structure and Hirshfeld surface analysis of 4-{[(<i>E</i>)-4-(heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2020","76","7","1092","1095","10.1107/S2056989020007951","","","0.71073","MoKα","","0.1222","0.0665","","","0.1321","0.155","","","","","","0.924","","","","has coordinates,has Fobs","253202","2020-10-21","18:00:00",""
"2243441","13.8433","0.001","7.0774","0.0006","6.2142","0.0005","90","","95.517","0.006","90","","606.01","0.08","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-4-Methyl-2-{[(4-methylphenyl)imino]methyl}phenol","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","TX2025","Yagci, Nermin Kahveci; Faizi, Md. Serajul Haque; Aydin, Alev Sema; Dege, Necmi; Dogan, Onur Erman; Agar, Erbil; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(4-methylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","7","1075","1079","10.1107/S2056989020007847","","","0.71073","MoKα","","0.1139","0.0684","","","0.1781","0.1985","","","","","","1.052","","","","has coordinates,has Fobs","253203","2020-10-21","18:00:00",""
"2243442","8.5628","0.0012","9.6623","0.0013","9.9767","0.0012","112.534","0.014","94.744","0.015","97.999","0.016","746.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-[2-(Methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid","","- C14 H18 O8 -","- C14 H18 O8 -","- C28 H36 O16 -","2","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid","Acta Crystallographica Section E","2020","76","7","1101","1106","10.1107/S2056989020007987","","","0.71073","MoKα","","0.0789","0.0446","","","0.0989","0.1083","","","","","","0.832","","","","has coordinates,has Fobs","253289","2020-10-21","18:00:00",""
"2243443","10.26799","0.00006","18.26557","0.0001","21.67365","0.00012","90","","90","","90","","4064.91","0.04","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3,5-dinitrobenzoato)(ethane-1,2-diamine)zinc(II)","","- C16 H14 N6 O12 Zn -","- C16 H14 N6 O12 Zn -","- C128 H112 N48 O96 Zn8 -","8","1","YK2132","Ibragimov, Avazbek; Ashurov, Jamshid; Dusmatov, Aziz; Ibragimov, Aziz","Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a Zn^II^ complex with 3,5-dinitrobenzoic acid and ethylenediamine","Acta Crystallographica Section E","2020","76","7","1113","1116","10.1107/S2056989020007938","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0906","0.0912","","","","","","1.093","","","","has coordinates,has Fobs","253290","2020-10-21","18:00:00",""
"2243444","7.4958","0.0011","12.422","0.002","20.325","0.004","90","","90","","90","","1892.5","0.6","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-[(Benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","","- C21 H18 O7 -","- C21 H18 O7 -","- C84 H72 O28 -","4","1","VM2234","Leepasert, Theerachart; Saparpakorn, Patchreenart; Chainok, Kittipong; Duangthongyou, Tanwawan","Crystal structure of 5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","Acta Crystallographica Section E","2020","76","7","1096","1100","10.1107/S2056989020007793","","","0.71073","MoKα","","0.0383","0.0319","","","0.0763","0.0823","","","","","","1.1025","","","","has coordinates,has Fobs","253291","2020-10-21","18:00:00",""
"2243445","9.5967","0.0015","9.6767","0.0015","10.8043","0.0017","114.162","0.005","109.93","0.005","90.917","0.006","846.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-{2,2-Dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C17 H17 Cl2 N3 -","- C17 H17 Cl2 N3 -","- C34 H34 Cl4 N6 -","2","1","","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","7","1122","1125","10.1107/S2056989020007744","","","0.71073","MoKα","","0.0489","0.0407","","","0.1003","0.1086","","","","","","1.051","","","","has coordinates,has Fobs","253292","2020-10-21","18:00:00",""
"2243446","12.7875","0.0009","11.3732","0.0012","14.3637","0.0012","90","","90","","90","","2089","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,8-Dimethoxy-3-methyl-1<i>H</i>-isochromem-1-one","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0835","0.0521","","","0.1055","0.1157","","","","","","1.054","","","","has coordinates,has Fobs","253293","2020-10-21","18:00:00",""
"2243447","11.7655","0.0009","20.464","0.0017","6.7332","0.0005","90","","90.161","0.009","90","","1621.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","","- C13 H12 Br Cl3 O4 -","- C13 H12 Br Cl3 O4 -","- C52 H48 Br4 Cl12 O16 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0698","0.0398","","","0.0936","0.1003","","","","","","0.879","","","","has coordinates,has disorder,has Fobs","253293","2020-10-21","18:00:00",""
"2243448","6.4976","0.0005","9.5593","0.0012","13.1962","0.0011","80.576","0.005","82.312","0.003","86.288","0.005","800.55","0.14","298.65","","298.65","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 N2 S5 -","- C15 H8 N2 S5 -","- C30 H16 N4 S10 -","2","1","HB7924","Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel","Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate","Acta Crystallographica Section E","2020","76","7","1126","1130","10.1107/S2056989020008105","","","0.71073","MoKα","","0.0412","0.0358","","","0.095","0.0994","","","","","","1.034","","","","has coordinates,has Fobs","253395","2020-10-21","18:00:00",""
"2243449","3.9458","0.0015","11.434","0.003","33.366","0.011","90","","90","","90","","1505.3","0.9","298.65","","298.65","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(1,3-benzothiazol-2-yl) trithiocarbonate","","- C15 H8 N2 S5 -","- C15 H8 N2 S5 -","- C60 H32 N8 S20 -","4","0.5","HB7924","Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel","Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate","Acta Crystallographica Section E","2020","76","7","1126","1130","10.1107/S2056989020008105","","","0.71073","MoKα","","0.0661","0.0505","","","0.1033","0.1097","","","","","","1.099","","","","has coordinates,has Fobs","253395","2020-10-21","18:00:00",""
"2243450","12.8022","0.0004","24.4556","0.0009","4.1459","0.0001","90","","90","","90","","1298.02","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{[(4-Iodophenyl)imino]methyl}-4-nitrophenol","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","PK2635","Faizi, Md. Serajul Haque; Alagöz, Tenzile; Ahmed, Ruby; Cinar, Emine Berrin; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2020","76","7","1146","1149","10.1107/S2056989020008191","","","0.71073","MoKα","","0.0414","0.0373","","","0.0911","0.0938","","","","","","1.045","","","","has coordinates,has Fobs","253510","2020-10-21","18:00:00",""
"2243451","5.05866","0.00004","12.2617","0.0001","15.1009","0.0001","106.149","0.001","96.446","0.001","100.884","0.001","869.944","0.013","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(Disulfanediyl)dibenzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C34 H34 N2 O10 S4 -","2","1","HB7925","Tan, Sang Loon; Tiekink, Edward R. T.","2,2'-(Disulfanediyl)dibenzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","7","1150","1157","10.1107/S2056989020008257","","","1.54184","CuKα","","0.0264","0.0256","","","0.0714","0.072","","","","","","1.068","","","","has coordinates,has Fobs","253511","2020-10-21","18:00:00",""
"2243452","7.84","0.0016","6.34","0.0013","9.768","0.002","90","","107.32","0.03","90","","463.51","0.18","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","Posnjakite","Poly[[hexa-μ-hydroxido-tetracopper(II)] sulfate monohydrate]","","- Cu4 H8 O11 S -","- Cu4 H8 O11 S -","- Cu8 H16 O22 S2 -","2","1","TX2024","Mills, Stuart; Aishima, Jun; Aragao, David; Caradoc-Davies, Tom Tudor; Cowieson, Nathan; Gee, Christine L.; Ericsson, Daniel; Harrop, Stephen; Panjikar, Santosh; Smith, Kate Mary Louise; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Price, Jason Roy","Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator","Acta Crystallographica Section E","2020","76","7","1136","1138","10.1107/S2056989020008099","","","0.71074","synchrotron","","0.0306","0.0288","","","0.0714","0.0738","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","253512","2020-10-21","18:00:00",""
"2243453","10.5916","0.0006","9.2081","0.0005","20.993","0.0012","90","","103.304","0.001","90","","1992.47","0.19","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-ethoxy-α-trifluoromethylphenylacetic acid'","3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C80 H72 F24 O24 -","8","2","PK2638","Savich, Carolyn Z.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of racemic Mosher's Acid","Acta Crystallographica Section E","2020","76","7","1143","1145","10.1107/S2056989020008403","","","0.71073","MoKα","","0.056","0.0398","","","0.1043","0.1152","","","","","","1.023","","","","has coordinates,has Fobs","253513","2020-10-21","18:00:00",""
"2243454","11.663","0.0003","11.6691","0.0003","15.8892","0.0004","90","","103.077","0.0007","90","","2106.38","0.09","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl(4'-phenyl-2,2':6',2''-terpyridine-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C24 H15 Br Mn N3 O3 -","- C24 H15 Br Mn N3 O3 -","- C96 H60 Br4 Mn4 N12 O12 -","4","1","WM5569","Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai","Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand","Acta Crystallographica Section E","2020","76","7","1139","1142","10.1107/S2056989020008178","","","0.71075","MoKα","","0.0409","0.0351","","","0.0885","0.0915","","","","","","1.061","","","","has coordinates,has Fobs","253514","2020-10-21","18:00:00",""
"2243455","10.497","0.003","14.123","0.005","13.504","0.004","90","","96.767","0.003","90","","1988","1.1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bromidodicarbonyl(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i><i>,N</i>',<i>N</i>'')manganese(I)","","- C23 H15 Br Mn N3 O2 -","- C23 H15 Br Mn N3 O2 -","- C92 H60 Br4 Mn4 N12 O8 -","4","1","WM5569","Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai","Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand","Acta Crystallographica Section E","2020","76","7","1139","1142","10.1107/S2056989020008178","","","0.71075","MoKα","","0.0519","0.0458","","","0.0939","0.096","","","","","","1.27","","","","has coordinates,has disorder,has Fobs","253514","2020-10-21","18:00:00",""
"2243456","17.1332","0.0013","7.4478","0.0005","11.0345","0.0008","90","","105.758","0.004","90","","1355.14","0.17","110","0.5","110","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Ferrocenylcarbonyl)benzoic acid","","- C18 H14 Fe O3 -","- C18 H14 Fe O3 -","- C72 H56 Fe4 O12 -","4","1","ZL2783","Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.","Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide","Acta Crystallographica Section E","2020","76","7","1163","1167","10.1107/S2056989020008452","","","0.71073","MoKα","","0.0469","0.0326","","","0.0764","0.0822","","","","","","1.041","","","","has coordinates,has Fobs","253604","2020-10-21","18:00:00",""
"2243457","35.4613","0.0011","5.6873","0.0002","13.1523","0.0004","90","","100.202","0.0016","90","","2610.61","0.15","110","0.5","110","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Ferrocenylphthalide","3-Ferrocenyl-2-benzofuran-1(3<i>H</i>)-one","","- C18 H14 Fe O2 -","- C18 H14 Fe O2 -","- C144 H112 Fe8 O16 -","8","1","","Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.","Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide","Acta Crystallographica Section E","2020","76","7","1163","1167","10.1107/S2056989020008452","","","0.71073","MoKα","","0.0541","0.0467","","","0.1131","0.116","","","","","","1.178","","","","has coordinates,has Fobs","253604","2020-10-21","18:00:00",""
"2243458","9.286","0.001","11.4809","0.0008","12.6469","0.001","90","","90","","90","","1348.3","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one","","- C6 H8 O2 S -","- C6 H8 O2 S -","- C48 H64 O16 S8 -","8","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","1.54184","CuKα","","0.0621","0.0531","","","0.1371","0.1482","","","","","","1.071","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243459","4.1054","0.0003","22.9727","0.0013","6.1928","0.0005","90","","103.728","0.007","90","","567.37","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","","- C5 H6 O2 S -","- C5 H6 O2 S -","- C20 H24 O8 S4 -","4","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","0.71073","MoKα","","0.056","0.05","","","0.109","0.1132","","","","","","1.192","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243460","8.4867","0.0006","29.764","0.002","10.6334","0.0008","90","","94.381","0.001","90","","2678.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methyl-4-(2-methyl-10<i>H</i>-benzo[<i>b</i>]thieno[2,3-<i>e</i>][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate","","- C27 H34 N4 O5 S -","- C27 H34 N4 O5 S -","- C108 H136 N16 O20 S4 -","4","1","MW2162","Natchimuthu, V.; Sharmila, N.; Ravi, S.","Crystal structure and Hirshfeld surface analysis of 1-methyl-4-(2-methyl-10<i>H</i>-benzo[<i>b</i>]thieno[2,3-<i>e</i>][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate","Acta Crystallographica Section E","2020","76","7","1168","1172","10.1107/S205698902000818X","","","0.71073","MoKα","","0.0769","0.0692","","","0.1398","0.1431","","","","","","1.313","","","","has coordinates,has Fobs","253606","2020-10-21","18:00:00",""
"2243461","18.6879","0.0016","9.4736","0.0008","24.283","0.002","90","","90","","90","","4299.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C25 H24 F N O5 -","- C25 H24 F N O5 -","- C200 H192 F8 N8 O40 -","8","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.1145","0.0535","","","0.1028","0.1229","","","","","","1.007","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243462","19.794","0.002","9.1396","0.0009","23.161","0.002","90","","101.071","0.0018","90","","4112.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Furan-2-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C184 H184 N8 O48 -","8","2","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.0852","0.0562","","","0.103","0.1119","","","","","","1.079","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243463","10.4633","0.0006","11.318","0.0006","11.6008","0.0006","104.628","0.003","99.056","0.004","112.929","0.003","1172.73","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)-3-(naphthalen-1-yl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C58 H54 N2 O10 -","2","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","1.54178","CuKα","","0.0724","0.0598","","","0.176","0.188","","","","","","1.094","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243464","8.858","0.002","22.769","0.005","12.822","0.002","90","","109.839","0.006","90","","2432.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C27 H29 N O7 -","- C27 H29 N O7 -","- C108 H116 N4 O28 -","4","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.0731","0.0445","","","0.0931","0.1059","","","","","","1.03","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243465","11.572","0.0003","12.3994","0.0003","19.9358","0.0006","83.779","0.001","85.748","0.001","71.559","0.001","2695.23","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4-Bis(4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C32 H31 N O6 -","- C32 H31 N O6 -","- C128 H124 N4 O24 -","4","2","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","1.54178","CuKα","","0.0521","0.0454","","","0.1303","0.1371","","","","","","1.091","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243466","7.4839","0.0008","14.1752","0.0014","9.6461","0.001","90","","110.537","0.003","90","","958.28","0.17","297","2","297.15","","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Ethyl-<i>N</i>-propyltryptammonium hydrofumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)propylazanium 3-carboxyprop-2-enoate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","DX2028","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.0365","0.0339","","","0.0899","0.0929","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","253757","2020-10-21","18:00:00",""
"2243467","7.9845","0.0007","8.5641","0.0006","25.649","0.002","90","","90","","90","","1753.9","0.2","297","2","297.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Allyl-<i>N</i>-methyltryptammonium (MALT) hydrofumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)(prop-2-en-1-yl)azanium 3-carboxyprop-2-enoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.058","0.053","","","0.1427","0.1466","","","","","","1.104","","","","has coordinates,has Fobs","253757","2020-10-21","18:00:00",""
"2243468","6.5873","0.0005","7.6616","0.0006","17.3399","0.0009","97.842","0.006","90.378","0.006","95.54","0.006","862.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-fluorobenzoate monohydrate","","- C17 H20 F2 N2 O3 -","- C17 H20 F2 N2 O3 -","- C34 H40 F4 N4 O6 -","2","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.074","0.0446","","","0.1094","0.123","","","","","","1.013","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243469","7.2584","0.0008","9.347","0.001","13.767","0.002","101.14","0.01","95.98","0.01","109.44","0.01","849.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-bromobenzoate 0.353-hydrate","","- C17 H18.71 Br F N2 O2.35 -","- C17 H18.706 Br F N2 O2.353 -","- C34 H37.412 Br2 F2 N4 O4.706 -","2","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0564","0.0427","","","0.1182","0.1242","","","","","","1.102","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243470","9.8892","0.0003","11.6831","0.0007","16.4547","0.0009","106.776","0.005","93.327","0.004","104.874","0.004","1741.19","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-iodobenzoate","","- C17 H18 F I N2 O2 -","- C17 H18 F I N2 O2 -","- C68 H72 F4 I4 N8 O8 -","4","2","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0589","0.0466","","","0.1195","0.1269","","","","","","1.055","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243471","16.658","0.002","6.6734","0.0006","17.553","0.003","90","","117.84","0.02","90","","1725.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Fluorophenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C16 H16 F N5 O7 -","- C16 H16 F N5 O7 -","- C64 H64 F4 N20 O28 -","4","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0609","0.045","","","0.1246","0.1357","","","","","","1.054","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243472","19.871","0.001","7.342","0.0007","26.306","0.002","90","","94.54","0.008","90","","3825.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Fluorophenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C17 H17 F N4 O6 -","- C17 H17 F N4 O6 -","- C136 H136 F8 N32 O48 -","8","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.1016","0.0561","","","0.1208","0.1435","","","","","","1.068","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243473","7.8139","0.0003","27.047","0.001","11.7683","0.0005","90","","90","","90","","2487.14","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxy-5-methylbenzylidene)amino]benzonitrile","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","ZL2787","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hydroxy-5-methylbenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2020","76","8","1195","1200","10.1107/S2056989020008907","","","0.71073","MoKα","","0.064","0.0377","","","0.0933","0.103","","","","","","1.036","","","","has coordinates,has Fobs","253760","2020-10-21","18:00:00",""
"2243474","23.1774","0.001","15.4767","0.0007","26.0442","0.0013","90","","113.168","0.0018","90","","8588.9","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,3-Dimethoxy-<i>meso</i>-tetrakis(pentafluorophenyl)morpholinochlorin methylene chloride 0.44-solvate","","- C46.44 H16.88 Cl0.88 F20 N4 O3 -","- C46.44 H16.88 Cl0.88 F20 N4 O3 -","- C371.52 H135.04 Cl7.04 F160 N32 O24 -","8","1","IS5543","Churchill, Serena B. S.; Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias","Crystal structure of 2,3-dimethoxy-<i>meso</i>-tetrakis(pentafluorophenyl)morpholinochlorin methylene chloride 0.44-solvate","Acta Crystallographica Section E","2020","76","8","1222","1228","10.1107/S2056989020009093","","","0.71073","MoKα","","0.1016","0.058","","","0.1415","0.1644","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","254110","2020-10-21","18:00:00",""
"2243475","10.1911","0.0004","10.7274","0.0006","11.7692","0.0006","98.55","0.005","105.632","0.004","111.015","0.004","1112.76","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C48 H46 N6 O6 S2 -","2","1","DX2029","Surya Prakash Rao, H.; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","8","1209","1212","10.1107/S2056989020008841","","","0.71073","MoKα","","0.0713","0.048","","","0.1452","0.1684","","","","","","1.064","","","","has coordinates,has Fobs","254111","2020-10-21","18:00:00",""
"2243476","5.0472","0.0004","9.3118","0.0007","13.9581","0.0015","90","","99.708","0.008","90","","646.62","0.1","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0857","0.0429","","","0.0911","0.1021","","","","","","0.836","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243477","8.3496","0.0006","5.2632","0.0002","14.2969","0.001","90","","99.8","0.006","90","","619.12","0.07","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0519","0.0355","","","0.0834","0.0899","","","","","","0.942","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243478","5.2133","0.0003","18.3625","0.0012","26.0799","0.0019","90","","90","","90","","2496.6","0.3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.1218","0.0383","","","0.0661","0.08","","","","","","0.742","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243479","14.3622","0.0011","16.5258","0.0011","16.8246","0.0012","90","","92.347","0.003","90","","3989.9","0.5","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate","","- C68 H72 Dy Mn4 N8 Na O32 -","- C68 H72 Dy Mn4 N8 Na O32 -","- C136 H144 Dy2 Mn8 N16 Na2 O64 -","2","1","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.11","0.0733","","","0.1916","0.219","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2243480","19.9869","0.0009","19.9869","0.0009","13.957","0.0011","90","","90","","90","","5575.5","0.6","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylacetamide decasolvate","","- C96 H134 Dy Mn4 N14 Na O38 -","- C96 H134 Dy Mn4 N14 Na O38 -","- C192 H268 Dy2 Mn8 N28 Na2 O76 -","2","0.25","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.0642","0.0505","","","0.1361","0.1514","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2243481","17.1798","0.0006","8.7991","0.0002","18.7608","0.0007","90","","99.711","0.003","90","","2795.37","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)","","- C26 H30 B2 Fe N10 -","- C26 H30 B2 Fe N10 -","- C104 H120 B8 Fe4 N40 -","4","1","WM5574","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Crystal structure of bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)","Acta Crystallographica Section E","2020","76","8","1266","1270","10.1107/S2056989020009214","","","0.71073","MoKα","","0.0439","0.034","","","0.0861","0.0906","","","","","","1.042","","","","has coordinates,has Fobs","254200","2020-10-21","18:00:00",""
"2243482","15.4653","0.0004","7.9639","0.0002","24.8116","0.0007","90","","90","","90","","3055.9","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol","","- C32 H30 N4 O2 S4 -","- C32 H30 N4 O2 S4 -","- C128 H120 N16 O8 S16 -","4","0.5","HB7929","Paulus, Georgiana; Kwong, Huey Chong; Crouse, Karen A.; Tiekink, Edward R. T.","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","8","1245","1250","10.1107/S2056989020008762","","","1.54178","CuKα","","0.0413","0.0377","","","0.0989","0.1022","","","","","","1.039","","","","has coordinates,has Fobs","254201","2020-10-21","18:00:00",""
"2243483","8.1035","0.0004","9.1965","0.0005","12.3665","0.0007","102.421","0.002","95.88","0.002","91.105","0.002","894.48","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-{2,2-Dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C18 H19 Cl2 N3 -","- C18 H19 Cl2 N3 -","- C36 H38 Cl4 N6 -","2","1","HB7912","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Shadrack, Daniel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{2,2-dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","8","1251","1254","10.1107/S2056989020009202","","","0.71073","MoKα","","0.055","0.0449","","","0.114","0.1249","","","","","","1.032","","","","has coordinates,has Fobs","254202","2020-10-21","18:00:00",""
"2243484","8.1488","0.0011","11.2243","0.0015","12.6378","0.0017","64.049","0.002","74.184","0.002","86.067","0.002","998.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","6-Bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C20 H24 Br2 N4 -","- C20 H24 Br2 N4 -","- C40 H48 Br4 N8 -","2","1","WM5570","Jabri, Zainab; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Rodi, Youssef Kandri; Misbahi, Khalid","Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2020","76","8","1234","1238","10.1107/S2056989020008889","","","0.71073","MoKα","","0.0594","0.0458","","","0.1324","0.1396","","","","","","1.12","","","","has coordinates,has Fobs","254203","2020-10-21","18:00:00",""
"2243485","40.843","0.002","6.9072","0.0004","8.0031","0.0004","90","","91.891","0.002","90","","2256.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)cobalt(II)]-μ-aqua] dihydrate]","","- C18 H26 Co N2 O11 -","- C18 H26 Co N2 O11 -","- C72 H104 Co4 N8 O44 -","4","0.5","EX2034","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates","Acta Crystallographica Section E","2020","76","8","1260","1265","10.1107/S2056989020009287","","","0.71073","MoKα","","0.0641","0.0366","","","0.0702","0.086","","","","","","1.082","","","","has coordinates,has Fobs","254204","2020-10-21","18:00:00",""
"2243486","40.884","0.004","6.9438","0.0008","7.8983","0.0008","90","","91.9","0.002","90","","2241","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)nickel(II)]-μ-aqua] dihydrate]","","- C18 H26 N2 Ni O11 -","- C18 H26 N2 Ni O11 -","- C72 H104 N8 Ni4 O44 -","4","0.5","","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates","Acta Crystallographica Section E","2020","76","8","1260","1265","10.1107/S2056989020009287","","","0.71073","MoKα","","0.0631","0.0562","","","0.1472","0.1511","","","","","","1.15","","","","has coordinates,has Fobs","254204","2020-10-21","18:00:00",""
"2243487","10.2778","0.0007","11.4064","0.0011","17.5586","0.0015","90","","90","","90","","2058.4","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","6,6'-[(Cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C96 H132 N4 O8 -","4","1","HB7926","Wannapaiboon, Suttipong; Hanlumyuang, Yuranan; Chansaenpak, Kantapat; Pinyou, Piyanut; Veranitisagul, Chatchai; Laobuthee, Apirat; Wattanathana, Worawat","Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6'-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","Acta Crystallographica Section E","2020","76","8","1239","1244","10.1107/S2056989020009184","","","0.71073","MoKα","","0.067","0.0526","","","0.1295","0.139","","","","","","1.037","","","","has coordinates,has Fobs","254205","2020-10-21","18:00:00",""
"2243488","8.7077","0.0008","10.4281","0.001","12.1329","0.0011","101.111","0.007","92.087","0.007","113.161","0.008","986.22","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","7,7'-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)","","- C24 H15 Cl2 N3 O2 -","- C24 H15 Cl2 N3 O2 -","- C48 H30 Cl4 N6 O4 -","2","1","IS5545","Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki","Crystal structure of 7,7'-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)","Acta Crystallographica Section E","2020","76","8","1271","1274","10.1107/S2056989020009317","","","0.71075","MoKα","","0.0686","0.0498","","","0.1096","0.1194","","","","","","1.072","","","","has coordinates,has Fobs","254305","2020-10-21","18:00:00",""
"2243489","6.0376","0.0005","8.6293","0.0007","15.5903","0.0012","92.315","0.001","99.589","0.001","90.657","0.001","800.12","0.11","100","0.2","100","2","","","","","","","","5","P -1","-P 1","2","silver 3-sulfobenzoic acid","Silver(I) 3-carboxybenzenesulfonate","","- C7 H5 Ag O5 S -","- C7 H5 Ag O5 S -","- C28 H20 Ag4 O20 S4 -","4","2","MW2166","Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep","The low-temperature triclinic crystal structure of silver 3-sulfobenzoic acid","Acta Crystallographica Section E","2020","76","8","1275","1278","10.1107/S2056989020009408","","","0.71073","MoKα","","0.0282","0.0226","","","0.0548","0.0573","","","","","","1.024","","","","has coordinates,has Fobs","254306","2020-10-21","18:00:00",""
"2243490","11.5556","0.0011","11.0774","0.0013","14.6105","0.0017","90","","93.794","0.004","90","","1866.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaaquanickel(II) bis[triaqua-μ~3~-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate","","- C12 H32 Ba2 Cr2 Ni O40 -","- C12 H32 Ba2 Cr2 Ni O40 -","- C24 H64 Ba4 Cr4 Ni2 O80 -","2","0.5","WM5572","Mbiangué, Yves Alain; Ndinga, Manelsa Lande; Nduga, Jean Pierre; Wenger, Emmanuel; Lecomte, Claude","Hexaaquanickel(II) bis[triaqua-μ~3~-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate","Acta Crystallographica Section E","2020","76","8","1316","1319","10.1107/S2056989020009536","","","0.71073","MoKα","","0.0393","0.0263","","","0.0537","0.0577","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","254388","2020-10-21","18:00:00",""
"2243491","7.0695","0.0004","10.8321","0.0005","14.4349","0.0006","90","","101.556","0.003","90","","1082.98","0.09","219","2","219","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4,6-Trimethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione monohydrate","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","YK2133","Zouitini, Ayman; Faizi, Md. Serajul Haque; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Mashrai, Ashraf","Synthesis, crystal structure at 219K and Hirshfeld surface analyses of 1,4,6-trimethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione monohydrate","Acta Crystallographica Section E","2020","76","8","1296","1301","10.1107/S2056989020009573","","","0.71073","MoKα","","0.0802","0.067","","","0.1419","0.1473","","","","","","1.243","","","","has coordinates,has disorder,has Fobs","254389","2020-10-21","18:00:00",""
"2243492","12.49907","0.00016","6.41302","0.00008","17.8772","0.0002","90","","99.8083","0.0006","90","","1412.03","0.03","173","2","172.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C17 H14 Br N O2 -","- C17 H14 Br N O2 -","- C68 H56 Br4 N4 O8 -","4","1","HB7931","Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","Acta Crystallographica Section E","2020","76","8","1311","1315","10.1107/S2056989020009512","","","1.54178","CuKα","","0.0298","0.0271","","","0.07","0.0719","","","","","","1.037","","","","has coordinates,has Fobs","254390","2020-10-21","18:00:00",""
"2243493","11.3538","0.0003","7.4062","0.0002","20.5398","0.0005","90","","92.6226","0.0015","90","","1725.35","0.08","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","HB7931","Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","Acta Crystallographica Section E","2020","76","8","1311","1315","10.1107/S2056989020009512","","","1.54178","CuKα","","0.0482","0.0452","","","0.1136","0.1163","","","","","","1.059","","","","has coordinates,has Fobs","254390","2020-10-21","18:00:00",""
"2243494","8.9311","0.0003","17.2458","0.0006","15.6857","0.0005","90","","99.361","0.003","90","","2383.8","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I)","","- C26 H22 Au F N O P S -","- C26 H22 Au F N O P S -","- C104 H88 Au4 F4 N4 O4 P4 S4 -","4","1","HB7932","Yeo, Chien Ing; Tan, Sang Loon; Kwong, Huey Chong; Tiekink, Edward R. T.","[(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","8","1284","1290","10.1107/S2056989020009469","","","0.71073","MoKα","","0.0264","0.023","","","0.0487","0.0504","","","","","","1.075","","","","has coordinates,has Fobs","254391","2020-10-21","18:00:00",""
"2243495","17.7764","0.0003","17.7764","0.0003","4.2223","0.0001","90","","90","","90","","1334.25","0.04","230","","230","","","","","","","","","4","P -4 21 m","P -4 2ab","113","caesium propionate monohydrate","Caesium propanoate monohydrate","","- C3 H7 Cs O3 -","- C3 H7 Cs O3 -","- C24 H56 Cs8 O24 -","8","1","DJ2008","Samolová, Erika; Fábry, Jan","Caesium propanoate monohydrate","Acta Crystallographica Section E","2020","76","8","1307","1310","10.1107/S2056989020009639","","x-ray","0.71073","MoKα","","0.0165","0.0142","","","0.0359","0.0374","","","","1.1","1.1","1.1","","","","has coordinates,has Fobs","254392","2020-10-21","18:00:00",""
"2243496","7.4537","0.0001","8.0674","0.0001","8.1025","0.0001","83.791","0.001","82.591","0.001","71.407","0.001","456.768","0.01","298","","296.15","","","","","","","","","5","P -1","-P 1","2","","Bis(2-aminopyridinium) hexachloridostannate(IV)","","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","1","0.5","HB7922","Ghallab, Rochdi; Boutebdja, Mehdi; Dénès, George; Merazig, Hocine","Synthesis, crystal structure and Hirshfeld surface of bis(2-aminopyridinium) hexachloridostannate(IV)","Acta Crystallographica Section E","2020","76","8","1279","1283","10.1107/S205698902000941X","","x-ray","0.71073","MoKα","","0.0186","0.0168","","","0.0359","0.0367","","","","","","1.061","","","","has coordinates,has Fobs","254393","2020-10-21","18:00:00",""
"2243497","10.8832","0.0018","11.4742","0.0019","19.905","0.003","74.295","0.005","89.791","0.005","88.502","0.006","2392","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(4,4'-bipyridine-κ<i>N</i>)(μ-2-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')(2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-[aquahemi(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(2-hydroxybenzoato-κ<i>O</i>)(2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]","","- C53 H42 Co2 N5 O13 -","- C53 H42 Co2 N5 O13 -","- C106 H84 Co4 N10 O26 -","2","1","IS5544","Saelim, Thawanrat; Chainok, Kittipong; Kielar, Filip; Wannarit, Nanthawat","Crystal structure of a novel one-dimensional zigzag chain-like cobalt(II) coordination polymer constructed from 4,4'-bipyridine and 2-hydroxybenzoate ligands","Acta Crystallographica Section E","2020","76","8","1302","1306","10.1107/S2056989020009482","","x-ray","0.71073","MoKα","","0.0506","0.0347","","","0.0808","0.0877","","","","","","1.045","","","","has coordinates,has Fobs","254394","2020-10-21","18:00:00",""
"2243498","7.1212","0.0014","12.711","0.003","7.6991","0.0016","90","","105.94","0.007","90","","670.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C26 H18 Cl4 N6 O4 -","2","1","VM2237","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Mlowe, Sixberth","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","8","1291","1295","10.1107/S2056989020009433","","","0.71073","MoKα","","0.0402","0.0307","","","0.0604","0.0635","","","","","","1.107","","","","has coordinates,has Fobs","254395","2020-10-21","18:00:00",""
"2243499","6.5739","0.0004","22.9278","0.0015","6.0647","0.0004","90","","93.77","0.001","90","","912.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pipecolic acid diperoxosolvate","<i>DL</i>-Piperidinium-2-carboxylate bis(hydrogen peroxide)","","- C6 H15 N O6 -","- C6 H15 N O6 -","- C24 H60 N4 O24 -","4","1","FY2147","Navasardyan, Mger A.; Grishanov, Dmitry A.; Prikhodchenko, Petr V.; Churakov, Andrei V.","<small>DL</small>-Piperidinium-2-carboxylate bis(hydrogen peroxide): unusual hydrogen-bonded peroxide chains","Acta Crystallographica Section E","2020","76","8","1331","1335","10.1107/S205698902000972X","","","0.71073","MoKα","","0.0346","0.0306","","","0.0815","0.0837","","","","","","1.078","","","","has coordinates,has Fobs","254470","2020-10-21","18:00:00",""
"2243500","6.2592","0.0005","7.2229","0.0006","28.551","0.003","90","","90","","90","","1290.8","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C60 H48 F12 N4 O4 -","4","1","MW2164","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2020","76","8","1325","1330","10.1107/S2056989020009615","","","0.71073","MoKα","","0.089","0.0733","","","0.1952","0.2127","","","","","","0.989","","","","has coordinates,has Fobs","254473","2020-10-21","18:00:00",""
"2243501","8.0534","0.0005","6.3764","0.0003","25.3657","0.0016","90","","96.392","0.005","90","","1294.47","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(3-Chloro-4-methylphenyl)imino]methyl}-4-methylphenol","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","VM2236","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-2-{[(3-chloro-4-methylphenyl)imino]methyl}-4-methylphenol","Acta Crystallographica Section E","2020","76","8","1320","1324","10.1107/S2056989020009421","","","0.71073","MoKα","","0.0618","0.045","","","0.1292","0.1374","","","","","","1.028","","","","has coordinates,has Fobs","254474","2020-10-21","18:00:00",""
"2243502","8.121","0.002","8.433","0.002","9.154","0.002","68.918","0.012","80.523","0.012","71.27","0.009","553.1","0.2","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","Di-μ-iodido-bis[(acetonitrile-κ<i>N</i>)(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)copper(I)]","","- C14 H20 Cu2 I2 N4 O2 S2 -","- C14 H20 Cu2 I2 N4 O2 S2 -","- C14 H20 Cu2 I2 N4 O2 S2 -","1","0.5","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","0.71073","MoKα","","0.0126","0.0121","","","0.03","0.0301","","","","","","1.072","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243503","14.4669","0.0008","12.2157","0.0007","16.9969","0.0011","90","","112.562","0.005","90","","2773.9","0.3","104.97","","104.97","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(acetonitrile-κ<i>N</i>)tetra-μ~3~-iodido-bis(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)-<i>tetrahedro</i>-tetracopper(I)","","- C14 H20 Cu4 I4 N4 O2 S2 -","- C14 H20 Cu4 I4 N4 O2 S2 -","- C56 H80 Cu16 I16 N16 O8 S8 -","4","0.5","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0263","0.0255","","","0.0628","0.0634","","","","","","1.101","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243504","26.982","0.011","8.195","0.004","7.351","0.003","90","","90","","90","","1625.4","1.2","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[(μ-6-sulfanylidenepiperidin-2-one-κ^2^<i>O</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C5 H7 Cu I N O S -","- C5 H7 Cu I N O S -","- C40 H56 Cu8 I8 N8 O8 S8 -","8","1","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0356","0.0322","","","0.0796","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243505","13.2866","0.0009","11.6974","0.0013","14.8089","0.0009","90","","96.998","0.006","90","","2284.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(piperidine-2,6-dithione-κ<i>S</i>)copper(I)]-μ~3~-iodido]","","- C10 H14 Cu2 I2 N2 S4 -","- C10 H14 Cu2 I2 N2 S4 -","- C40 H56 Cu8 I8 N8 S16 -","4","1","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0501","0.0479","","","0.1233","0.1257","","","","","","1.064","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243506","15.174","0.005","4.1188","0.0016","15.785","0.006","90","","92.98","0.02","90","","985.2","0.6","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[(μ-isoindoline-1,3-dithione-κ^2^<i>S</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C8 H5 Cu I N S2 -","- C8 H5 Cu I N S2 -","- C32 H20 Cu4 I4 N4 S8 -","4","1","","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","0.71073","MoKα","","0.0429","0.036","","","0.0866","0.089","","","","","","1.056","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243507","9.2002","0.0004","9.4306","0.0004","11.7651","0.0004","94.639","0.003","110.091","0.004","97.599","0.003","941.46","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1-)}di-μ-chlorido-tetrachloridotetrazinc(II)","","- C26 H26 Cl6 N12 O4 Zn4 -","- C26 H26 Cl6 N12 O4 Zn4 -","- C26 H26 Cl6 N12 O4 Zn4 -","1","0.5","EX2035","Seck, Thierno Moussa; Gaye, Papa Aly; Ndoye, Cheikh; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed","Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1‒)}di-μ-chlorido-tetrachloridotetrazinc(II)","Acta Crystallographica Section E","2020","76","8","1349","1352","10.1107/S2056989020009834","","x-ray","0.71073","MoKα","","0.0526","0.0386","","","0.095","0.1025","","","","","","1.045","","","","has coordinates,has Fobs","254581","2020-10-21","18:00:00",""
"2243508","7.4471","0.0006","9.9016","0.0009","22.052","0.002","90","","94.184","0.003","90","","1621.7","0.2","303","2","303.22","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium iodide","2-(1<i>H</i>-Indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>-propylazanium iodide","","- C15 H23 I N2 -","- C15 H23 I N2 -","- C60 H92 I4 N8 -","4","1","ZQ2255","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide","Acta Crystallographica Section E","2020","76","8","1357","1360","10.1107/S2056989020010014","","","0.71073","MoKα","","0.0418","0.0276","","","0.0501","0.0537","","","","","","1.128","","","","has coordinates,has Fobs","254582","2020-10-21","18:00:00",""
"2243509","7.3471","0.0008","9.9672","0.0009","10.9499","0.0011","90","","94.671","0.003","90","","799.2","0.14","303.22","","303.22","","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium iodide","2-(1<i>H</i>-Indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>-(prop-2-en-1-yl)azanium iodide","","- C7.5 H10.5 I0.5 N -","- C7.5 H10.5 I0.5 N -","- C30 H42 I2 N4 -","4","2","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide","Acta Crystallographica Section E","2020","76","8","1357","1360","10.1107/S2056989020010014","","","0.71073","MoKα","","0.0287","0.0268","","","0.0696","0.0707","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","254582","2020-10-21","18:00:00",""
"2243510","7.1664","0.0002","15.5088","0.0004","11.6516","0.0004","90","","101.202","0.003","90","","1270.31","0.07","112","0.3","112","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,10-Phenanthrolinium pentafluoridooxidotungstate(VI)","","- C12 H9 F5 N2 O W -","- C12 H9 F5 N2 O W -","- C48 H36 F20 N8 O4 W4 -","4","1","CQ2038","Turnbull, Douglas; Gerken, Michael","Crystal structure of an ordered [WOF~5~]^{-^} salt: (1,10-phen-H)[WOF~5~] (1,10-phen = 1,10-phenanthroline)","Acta Crystallographica Section E","2020","76","8","1345","1348","10.1107/S2056989020009767","","x-ray","0.71073","MoKα","","0.0189","0.0162","","","0.0368","0.0376","","","","","","1.061","","","","has coordinates,has Fobs","254583","2020-10-21","18:00:00",""
"2243511","5.6085","0.0004","18.1641","0.0011","10.6884","0.0007","90","","97.86","0.004","90","","1078.63","0.12","299.82","","299.82","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(propanosulfonate)-N,N-butyl-bis(imidazole) dihydrate","3,3'-[1,1'-(Butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate","","- C16 H30 N4 O8 S2 -","- C16 H30 N4 O8 S2 -","- C32 H60 N8 O16 S4 -","2","0.5","WM5571","Udvardy, Antal; De, Sourav; Gál, Tamás Gyula; Papp, Gábor; Czégéni, Csilla Eniko; Joó, Ferenc","Crystal structure of zwitterionic 3,3'-[1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate","Acta Crystallographica Section E","2020","76","8","1353","1356","10.1107/S2056989020009779","","","1.54178","CuKα","","0.0641","0.0477","","","0.0975","0.1093","","","","","","1.107","","","","has coordinates,has Fobs","254584","2020-10-21","18:00:00",""
"2243512","8.7807","0.0009","11.9566","0.0012","12.9121","0.0013","77.982","0.001","78.711","0.001","75.612","0.001","1269.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone","","- C32 H28 N2 O -","- C32 H28 N2 O -","- C64 H56 N4 O2 -","2","1","IS5547","Naghiyev, Farid N.; Mammadova, Gunay Z.; Mamedov, Ibrahim G.; Huseynova, Afet T.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.","Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone with an unknown solvent","Acta Crystallographica Section E","2020","76","8","1365","1368","10.1107/S2056989020009871","","","0.71073","MoKα","","0.0829","0.0508","","","0.1031","0.1168","","","","","","1.034","","","","has coordinates,has Fobs","254585","2020-10-21","18:00:00",""
"2243513","9.0844","0.0012","18.7227","0.0018","11.2708","0.0014","90","","104.848","0.004","90","","1853","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","MW2165","Cinar, Emine Berrin; Zouitini, Ayman; Kandri Rodi, Youssef; Ouzidan, Younes; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Saif, Eiad","Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione","Acta Crystallographica Section E","2020","76","8","1361","1364","10.1107/S2056989020009895","","","0.71073","MoKα","","0.1097","0.0601","","","0.1584","0.1876","","","","","","1.038","","","","has coordinates,has Fobs","254586","2020-10-21","18:00:00",""
"2243514","10.5035","0.0004","15.2782","0.0005","20.9003","0.0007","80.266","0.003","86.443","0.003","78.066","0.003","3233","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(5-Bromo-1,10-πhenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]iron(II) toluene disolvate","","- C31 H31 B2 Br Fe N10 -","- C27.5 H27 B2 Br Fe N10 -","- C110 H108 B8 Br4 Fe4 N40 -","4","2","WM5576","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Crystal structure of bis(5-bromo-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]iron(II) toluene disolvate","Acta Crystallographica Section E","2020","76","8","1398","1402","10.1107/S2056989020010361","","","0.71073","MoKα","","0.0871","0.0533","","","0.1249","0.1392","","","","","","1.018","","","","has coordinates,has Fobs","254727","2020-10-21","18:00:00",""
"2243515","13.3288","0.0013","11.214","0.0008","13.8579","0.0013","90","","97.667","0.008","90","","2052.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C12 H24 Co N6 S4 -","- C12 H24 Co N6 S4 -","- C48 H96 Co4 N24 S16 -","4","1","TX2029","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2020","76","8","1373","1377","10.1107/S205698902001021X","","","0.71073","MoKα","","0.0377","0.0308","","","0.0809","0.084","","","","","","1.018","","","","has coordinates,has Fobs","254728","2020-10-21","18:00:00",""
"2243516","12.412","0.002","12.855","0.002","6.599","0.001","90","","114.727","0.002","90","","956.4","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Sodium manganese indium tris(phosphate) (2.22/0.87/1.68)","","- In1.68 Mn0.87 Na2.22 O12 P3 -","- In1.6886 Mn0.8552 Na2.2238 O12 P3 -","- In6.7544 Mn3.4208 Na8.8952 O48 P12 -","4","0.5","WM5566","Badri, Abdessalem; Alvarez-Serrano, Inmaculada; Luisa López, María; Ben Amara, Mongi","Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na~2.22~Mn~0.87~In~1.68~(PO~4~)~3~","Acta Crystallographica Section E","2020","76","8","1369","1372","10.1107/S2056989020010191","","","0.71073","MoKα","","0.0215","0.0212","","","0.0534","0.0535","","","","","","1.308","","","","has coordinates,has Fobs","254729","2020-10-21","18:00:00",""
"2243517","22.6809","0.0013","20.5788","0.0011","27.6206","0.0016","90","","101.59","0.002","90","","12628.9","1.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Poly[[μ~3~-acetato-hexakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)bis(<i>N</i>,<i>N</i>-dimethylformamide)bis[salicylhydroximato(2-)]heptakis[salicylhydroximato(3-)]hexaaluminium(III)dysprosium(III)pentasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate monohydrate]","","- C101 H127 Al6 Dy N21 Na5 O42 -","- C101 H127 Al6 Dy N21 Na5 O42 -","- C404 H508 Al24 Dy4 N84 Na20 O168 -","4","1","PK2639","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","0.71073","MoKα","","0.0718","0.0561","","","0.1463","0.1588","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243518","28.1847","0.0014","15.3683","0.0008","30.7354","0.0016","90","","106.461","0.002","90","","12767.4","1.1","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Poly[[di-μ~4~-acetato-nonakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)octakis(<i>N</i>,<i>N</i>-dimethylformamide)tetrakis[salicylhydroximato(2-)]tetradecakis[salicylhydroximato(3-)]dodecaaluminium(III)didysprosium(III)decasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide 6.335-solvate]","","- C200.01 H245.35 Al12 Dy2 N41.34 Na10 O81.34 -","- C200.005 H245.345 Al12 Dy2 N41.335 Na10 O81.335 -","- C400.01 H490.69 Al24 Dy4 N82.67 Na20 O162.67 -","2","1","","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","1.54178","CuKα","","0.0557","0.0527","","","0.1351","0.1374","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243519","4.3815","0.0002","15.3348","0.0006","14.5894","0.0006","90","","96.588","0.001","90","","973.78","0.07","150","2","150","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diiodo-4-nitrotoluene","","- C7 H5 I2 N O2 -","- C7 H5 I2 N O2 -","- C28 H20 I8 N4 O8 -","4","1","DJ2011","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean","Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene","Acta Crystallographica Section E","2020","76","8","1391","1397","10.1107/S2056989020010270","","","0.71073","MoKα","","0.0325","0.0236","","","0.0432","0.0457","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","254731","2020-10-21","18:00:00",""
"2243520","14.3484","0.0011","3.9955","0.0003","15.6975","0.0012","90","","110.519","0.002","90","","842.83","0.11","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2,4,6-Tribromotoluene","","- C7 H5 Br3 -","- C7 H5 Br3 -","- C28 H20 Br12 -","4","1","DJ2011","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean","Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene","Acta Crystallographica Section E","2020","76","8","1391","1397","10.1107/S2056989020010270","","","0.71073","MoKα","","0.0337","0.025","","","0.047","0.0489","","","","","","1.076","","","","has coordinates,has Fobs","254731","2020-10-21","18:00:00",""
"2243521","5.9573","0.0001","29.381","0.0003","8.0664","0.0001","90","","100.202","0.001","90","","1389.55","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-(4-nitrophenyl)ethyne","","- C18 H13 Fe N O2 -","- C18 H13 Fe N O2 -","- C72 H52 Fe4 N4 O8 -","4","1","DJ2003","Delgado Rivera, Sara M.; González Espiet, Jean C.; Dones, Jesús M.; Henríquez López, Sebastián A.; Guadalupe, Ana R.; Piñero Cruz, Dalice M.; Montes González, Ingrid","Crystal structure of 1-ferrocenyl-2-(4-nitrophenyl)ethyne","Acta Crystallographica Section E","2020","76","8","1403","1406","10.1107/S2056989020010336","","x-ray","1.54184","CuKα","","0.0256","0.0237","","","0.0603","0.0612","","","","","","1.066","","","","has coordinates,has Fobs","254732","2020-10-21","18:00:00",""
"2243522","7.4634","0.0001","10.3902","0.0001","8.3747","0.0001","90","","106.49","","90","","622.715","0.013","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium scandium diphosphate","","- K O7 P2 Sc -","- K O7 P2 Sc -","- K4 O28 P8 Sc4 -","4","1","WM5578","Redhammer, Günther J.; Tippelt, Gerold","The crystal structure of KScP~2~O~7~","Acta Crystallographica Section E","2020","76","9","1412","1416","10.1107/S2056989020010427","","x-ray","0.71073","MoKα","","0.0189","0.0179","","","0.0481","0.0488","","","","","","1.054","","","","has coordinates","254834","2020-10-21","18:00:00",""
"2243523","12.1464","0.0007","21.0777","0.0012","12.5842","0.0007","90","","115.277","0.002","90","","2913.3","0.3","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabromidotetra-μ-hydroxido-hexakis[μ-2-methyl-3-(pyrrolidin-1-yl)propan-2-olato]hexazinc(II) acetone disolvate","","- C42 H88 Br4 N4 O10 Zn6 -","- C42 H88 Br4 N4 O10 Zn6 -","- C84 H176 Br8 N8 O20 Zn12 -","2","0.5","HB7910","Scheel, Rebecca; Brieger, Lukas; Louven, Kathrin; Strohmann, Carsten","Synthesis and crystal structure of [Zn~6~Br~4~(C~9~H~18~NO)~4~(OH)~4~]·2C~3~H~6~O~2~","Acta Crystallographica Section E","2020","76","7","998","1002","10.1107/S2056989020007100","","x-ray","0.71073","MoKα","","0.0272","0.0209","","","0.0494","0.0514","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","255158","2020-10-21","18:00:00",""
"2243524","11.7405","0.0006","5.3589","0.0002","8.342","0.0004","90","","98.661","0.003","90","","518.86","0.04","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper iron digermanium heptasulfide","","- Cu4 Fe Ge2 S7 -","- Cu4 Fe Ge2 S7 -","- Cu8 Fe2 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.042","0.0339","","","0.0872","0.0938","","","","","","1.064","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243525","11.728","0.0002","5.33987","0.0001","8.33133","0.00014","90","","98.668","0.0012","90","","515.798","0.016","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper cobalt digermanium heptasulfide","","- Co Cu4 Ge2 S7 -","- Co Cu4 Ge2 S7 -","- Co2 Cu8 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.0348","0.0298","","","0.0713","0.0746","","","","","","1.111","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243526","12.0071","0.0006","36.1737","0.0015","13.698","0.0006","90","","111.97","0.005","90","","5517.5","0.5","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{μ~2~-1,2-Bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>)","","- C64 H55 Fe O3 P3 Pt S2 -","- C64 H55 Fe O3 P3 Pt S2 -","- C256 H220 Fe4 O12 P12 Pt4 S8 -","4","1","PK2630","Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten","Crystal structure of {μ~2~-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ^2^<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>), [(OC)~2~Fe(μ-dppm){μ-C(=O)C(4-MeC~6~H~4~SCH~2~)=CCH~2~SC~6~H~4~Me-4}Pt(PPh~3~)]","Acta Crystallographica Section E","2020","76","7","1087","1091","10.1107/S2056989020007859","","x-ray","0.71073","MoKα","","0.0568","0.0366","","","0.0693","0.0764","","","","","","1.029","","","","has coordinates,has Fobs","255160","2020-10-21","18:00:00",""
"2243527","9.4401","0.0004","16.8718","0.0008","21.0246","0.001","90","","92.0668","0.0006","90","","3346.4","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[(tetrahydrofuran)tris[μ-η^5^:η^5^-1-(trimethylsilyl)cyclopentadienyl]caesium(I)ytterbium(II)]","","- C28 H47 Cs O Si3 Yb -","- C28 H47 Cs O Si3 Yb -","- C112 H188 Cs4 O4 Si12 Yb4 -","4","1","ZL2785","Huh, Daniel N.; Ziller, Joseph W.; Evans, William J.","Crystal structure of the [(THF)Cs(μ-η^5^:η^5^-Cp')~3~Yb]~<i>n~</i> oligomer","Acta Crystallographica Section E","2020","76","7","1131","1135","10.1107/S2056989020008051","","","0.71073","MoKα","","0.0496","0.0315","","","0.0519","0.0562","","","","","","1.017","","","","has coordinates,has Fobs","255161","2020-10-21","18:00:00",""
"2243528","7.3811","0.0005","14.9963","0.0009","16.9217","0.001","90","","102.138","0.002","90","","1831.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Anilino-1,4-diphenyl-1<i>H</i>-1,2,4-triazol-4-ium difluorophosphate","","- C20 H17 F2 N4 O2 P -","- C20 H17 F2 N4 O2 P -","- C80 H68 F8 N16 O8 P4 -","4","1","PK2629","Weil, Matthias; Fürst, Markus","Crystal structure of (1,4-diphenyl-4<i>H</i>-1,2,4-triazol-3-yl)phenylamine difluorophosphate, and a survey of the difluorophosphate anion (PO~2~F~2~^{-^})","Acta Crystallographica Section E","2020","76","7","1003","1006","10.1107/S2056989020006933","","","0.71073","MoKα","","0.059","0.0393","","","0.0898","0.0996","","","","","","1.031","","","","has coordinates,has Fobs","255162","2020-10-21","18:00:00",""
"2243529","8.079","0.007","20.134","0.017","7.915","0.007","90","","116.647","0.018","90","","1150.7","1.7","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Nitrophenyl)-4<i>H</i>-chromen-4-one","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C60 H36 N4 O16 -","4","1","YK2138","Oskolkov, Evgenii; Kornilova, Tatiana; Chavez, Preciosa America; Tillotson, John P.; Timofeeva, Tatiana V.","Structural (at 100K) and DFT studies of 2'-nitroflavone","Acta Crystallographica Section E","2020","76","9","1417","1420","10.1107/S2056989020010713","","","0.71073","MoKα","","0.0384","0.0347","","","0.09","0.0933","","","","","","1.05","","","","has coordinates,has Fobs","255206","2020-10-21","18:00:00",""
"2243530","7.1843","0.0001","9.9198","0.0001","12.523","0.0002","84.319","0.001","83.574","0.001","69.151","0.001","827.11","0.02","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","(3<i>E</i>,3'<i>E</i>)-3,3'-[(2-Sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(4-hydroxypent-3-en-2-one)","","- C13 H14 O4 S5 -","- C13 H14 O4 S5 -","- C26 H28 O8 S10 -","2","1","DX2025","Cordero Giménez, Keysha T.; Soto Díaz, Victoria Y.; González Espiet, Jean C.; Levín Flores, Alexis; Bas Concepción, Jesbaniris; Rivera Cruz, Kevin E.; Rodríguez Ayala, Dara L.; Piñero Cruz, Dalice M.","Crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the di-enol tautomeric form of the compound 3,3'-[(2-sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(pentane-2,4-dione)","Acta Crystallographica Section E","2020","76","9","1427","1432","10.1107/S2056989020010695","","","1.54184","CuKα","","0.0268","0.0265","","","0.0722","0.0725","","","","","","1.048","","","","has coordinates,has Fobs","255253","2020-10-21","18:00:00",""
"2243531","11.7054","0.0007","13.9151","0.0007","13.3273","0.0008","90","","110.347","0.002","90","","2035.3","0.2","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C19 H16 Br Mn N2 O7 -","- C19 H16 Br Mn N2 O7 -","- C76 H64 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.0425","0.0365","","","0.0937","0.0977","","","","","","1.069","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243532","8.8953","0.0009","12.0086","0.0013","23.79","0.003","90","","95.794","0.002","90","","2528.3","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-biquinoline-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C27 H20 Br Mn N2 O7 -","- C27 H20 Br Mn N2 O7 -","- C108 H80 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.068","0.046","","","0.1208","0.134","","","","","","1.05","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243533","18.0904","0.0007","7.8971","0.0003","19.8043","0.0008","90","","90","","90","","2829.28","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone","","- C13 H12 Cl F3 N2 O3 -","- C13 H12 Cl F3 N2 O3 -","- C104 H96 Cl8 F24 N16 O24 -","8","1","VM2238","Eckhardt, Tamira; Goddard, Richard; Rudolph, Ines; Richter, Adrian; Lehmann, Christoph; Imming, Peter; Seidel, Rüdiger W.","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone: structural characterization of a side product in benzothiazinone synthesis","Acta Crystallographica Section E","2020","76","9","1442","1446","10.1107/S2056989020010658","","","1.54178","CuKα","","0.0432","0.0425","","","0.1141","0.1147","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","255255","2020-10-21","18:00:00",""
"2243534","5.6777","0.0003","23.0873","0.0015","8.7206","0.0006","90","","90.59","0.002","90","","1143.06","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(<i>N</i>,<i>N</i>-Dimethylamino)methyl]ferrocene","","- C13 H17 Fe N -","- C13 H17 Fe N -","- C52 H68 Fe4 N4 -","4","1","HB7933","Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten","Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","Acta Crystallographica Section E","2020","76","9","1437","1441","10.1107/S2056989020010397","","x-ray","0.71073","MoKα","","0.0538","0.047","","","0.115","0.1178","","","","","","1.168","","","","has coordinates,has Fobs","255256","2020-10-21","18:00:00",""
"2243535","12.0132","0.0007","14.0683","0.0008","15.7169","0.0011","90","","90","","90","","2656.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>~p~,<i>R</i>~p~)-Bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","","- C28 H38 Fe2 N2 Si -","- C28 H38 Fe2 N2 Si -","- C112 H152 Fe8 N8 Si4 -","4","1","HB7933","Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten","Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","Acta Crystallographica Section E","2020","76","9","1437","1441","10.1107/S2056989020010397","","x-ray","1.54178","CuKα","","0.0303","0.0277","","","0.0624","0.0646","","","","","","1.07","","","","has coordinates,has Fobs","255256","2020-10-21","18:00:00",""
"2243536","4.8283","0.0002","32.0832","0.001","8.0221","0.0003","90","","104.936","0.004","90","","1200.7","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Chloro-2-methylanilino)benzoic acid","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB7936","Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.","Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies","Acta Crystallographica Section E","2020","76","9","1421","1426","10.1107/S2056989020010841","","x-ray","0.71073","MoKα","","0.0863","0.0641","","","0.1194","0.1265","","","","","","1.0385","","","","has coordinates","255257","2020-10-21","18:00:00",""
"2243537","3.84618","0.00014","21.9502","0.0007","14.1764","0.0005","90","","94.235","0.004","90","","1193.57","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB7936","Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.","Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies","Acta Crystallographica Section E","2020","76","9","1421","1426","10.1107/S2056989020010841","","x-ray","0.71073","MoKα","","0.0755","0.0456","","","0.0707","0.0765","","","","","","1.0976","","","","has coordinates","255257","2020-10-21","18:00:00",""
"2243538","13.7267","0.001","16.0458","0.0011","28.2591","0.0018","80.675","0.002","84.459","0.002","71.757","0.002","5826.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumgadolinium‒pyridine‒water (1/7.396/1)","","- C119.25 H104.26 Al6 Gd N20.25 O30 -","- C119.255 H104.255 Al6 Gd N20.251 O30 -","- C238.51 H208.51 Al12 Gd2 N40.502 O60 -","2","1","MW2167","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0766","0.0543","","","0.1339","0.1456","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243539","13.7232","0.0006","16.0871","0.0007","28.2946","0.0013","80.632","0.002","83.989","0.002","71.66","0.002","5840.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumdysprosium‒pyridine‒water (1/7.429/1)","","- C119.6 H104.6 Al6 Dy N20.32 O30 -","- C119.6 H104.6 Al6 Dy N20.32 O30 -","- C239.2 H209.2 Al12 Dy2 N40.64 O60 -","2","1","","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0572","0.0478","","","0.1117","0.1158","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243540","13.7254","0.0006","16.0597","0.0008","28.2523","0.0012","80.5334","0.0016","83.7992","0.0017","72.0307","0.0017","5832.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumytterbium‒pyridine‒water (1/7.386/1)","","- C119.02 H104.02 Al6 N20.2 O30 Yb -","- C119.02 H104.02 Al6 N20.204 O30 Yb -","- C238.04 H208.04 Al12 N40.408 O60 Yb2 -","2","1","","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0644","0.0483","","","0.1171","0.1255","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243541","17.021","0.006","16.519","0.005","8.079","0.003","90","","97.552","0.008","90","","2251.9","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(16<i>Z</i>,19<i>E</i>)-18-Oxo-<i>N</i>-(pyridin-2-yl)-6,7,9,10-tetrahydro-18<i>H</i>-dibenzo[<i>h</i>,<i>o</i>][1,4,7]trioxacyclohexadecine-17-carboxamide","","- C27 H24 N2 O5 -","- C27 H24 N2 O5 -","- C108 H96 N8 O20 -","4","1","YK2136","Wodajo, Ayalew T.; Tran, Thi Thanh Van; Truong, Hong Hieu; Tskhovrebov, Alexander G.; Le, The Duan; Khrustalev, Victor N.; Le, Tuan Anh","Synthesis by deamination reaction and crystal structure at 120K of (16<i>Z</i>,19<i>E</i>)-18-oxo-<i>N</i>-(pyridin-2-yl)-6,7,9,10-tetrahydro-18<i>H</i>-dibenzo[<i>h</i>,<i>o</i>][1,4,7]trioxacyclohexadecine-17-carboxamide","Acta Crystallographica Section E","2020","76","9","1454","1457","10.1107/S2056989020010968","","","0.71073","MoKα","","0.1351","0.06","","","0.1326","0.1689","","","","","","0.966","","","","has coordinates,has Fobs","255342","2020-10-21","18:00:00",""
"2243542","15.3539","0.0009","12.5259","0.0007","20.2511","0.0012","90","","107.207","0.001","90","","3720.4","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)yttrium(III)","","- C44 H46 N3 O2 Y -","- C44 H46 N3 O2 Y -","- C176 H184 N12 O8 Y4 -","4","1","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0408","0.0313","","","0.0771","0.0812","","","","","","1.035","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243543","12.0946","0.0005","19.1086","0.0008","16.3609","0.0007","90","","91.3697","0.0005","90","","3780.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)erbium(III)","","- C44 H46 Er N3 O2 -","- C44 H46 Er N3 O2 -","- C176 H184 Er4 N12 O8 -","4","1","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0225","0.0194","","","0.0488","0.0504","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255343","2020-10-21","18:00:00",""
"2243544","9.2776","0.0005","22.5591","0.0013","13.4791","0.0008","90","","91.4966","0.0009","90","","2820.1","0.3","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]bis[bis(diphenylamido-κ<i>N</i>)yttrium(III)]","","- C72 H60 N6 Y2 -","- C72 H60 N6 Y2 -","- C144 H120 N12 Y4 -","2","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0447","0.0315","","","0.0655","0.0697","","","","","","1.03","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243545","9.3068","0.0015","22.475","0.004","13.513","0.002","90","","91.266","0.002","90","","2825.8","0.8","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]bis[bis(diphenylamido-κ<i>N</i>)dysprosium(III)]","","- C72 H60 Dy2 N6 -","- C72 H60 Dy2 N6 -","- C144 H120 Dy4 N12 -","2","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0331","0.0255","","","0.0611","0.0652","","","","","","1.046","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243546","12.8857","0.0008","13.6846","0.0009","13.7411","0.0009","61.3447","0.0008","82.7796","0.001","83.0804","0.001","2104.4","0.2","88","2","88","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diphenylamido-κ^2^<i>N</i>:<i>N</i>)bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]tetrakis(diphenylamido-κ<i>N</i>)di-μ~3~-oxido-tetraerbium(III) benzene disolvate","","- C108 H92 Er4 N8 O2 -","- C108 H92 Er4 N8 O2 -","- C108 H92 Er4 N8 O2 -","1","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0317","0.0273","","","0.0612","0.0624","","","","","","0.963","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243547","16.807","0.0008","14.4212","0.0006","15.5669","0.0009","90","","118.744","0.004","90","","3308.1","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C8 H16 Co N6 S4 -","- C8 H16 Co N6 S4 -","- C64 H128 Co8 N48 S32 -","8","1","TX2032","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2020","76","9","1476","1481","10.1107/S2056989020011111","","","0.71073","MoKα","","0.0454","0.0391","","","0.1013","0.1054","","","","","","1.067","","","","has coordinates,has Fobs","255476","2020-10-21","18:00:00",""
"2243548","7.6402","0.0002","13.7578","0.0003","16.7691","0.0003","90","","101.162","0.001","90","","1729.3","0.07","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,15-Dimethyl-7,12-diazoniatricyclo[10.4.0.0^2,7^]hexadeca-1(12),2,4,6,13,15-hexaene dibromide monohydrate","","- C16 H22 Br2 N2 O -","- C16 H22 Br2 N2 O -","- C64 H88 Br8 N8 O4 -","4","1","EX2036","Behrman, Edward J.; Hansen, Alexandar L.; Yuan, Chunhua; Parkin, Sean","4,15-Dimethyl-7,12-diazoniatricyclo[10.4.0.0^2,7^]hexadeca-1(12),2,4,6,13,15-hexaene dibromide monohydrate","Acta Crystallographica Section E","2020","76","9","1467","1471","10.1107/S2056989020011147","","","0.71073","MoKα","","0.0256","0.0197","","","0.0412","0.0431","","","","","","1.055","","","","has coordinates,has Fobs","255477","2020-10-21","18:00:00",""
"2243549","24.798","0.003","4.7133","0.0004","11.533","0.0014","90","","106.751","0.009","90","","1290.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,7-Dimethyl-5a,6,11a,12-tetrahydrobenzo[<i>b</i>]benzo[5,6][1,4]oxazino[2,3-<i>e</i>][1,4]oxazine","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","0.5","YK2135","Çınar, Emine Berrin; Yeşilbağ, Semanur; Doğan, Onur Erman; Ağar, Erbil; Dege, Necmi; Saif, Eiad","Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[<i>b</i>]benzo[5,6][1,4]oxazino[2,3-<i>e</i>][1,4]oxazine","Acta Crystallographica Section E","2020","76","9","1472","1475","10.1107/S2056989020010646","","","0.71073","MoKα","","0.1182","0.0485","","","0.1096","0.1339","","","","","","0.884","","","","has coordinates,has Fobs","255478","2020-10-21","18:00:00",""
"2243550","12.9974","0.0009","13.9305","0.001","14.7162","0.001","106.143","0.003","93.254","0.002","99.819","0.002","2506.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ~3~-hydroxido-nonacopper(II) chloroform disolvate","","- C80 H106 Cl12 Cu9 N20 O6 -","- C80 H106 Cl12 Cu9 N20 O6 -","- C80 H106 Cl12 Cu9 N20 O6 -","1","0.5","HB7934","Dodds, Christopher A.; Kennedy, Alan R.","Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride","Acta Crystallographica Section E","2020","76","9","1486","1490","10.1107/S2056989020011275","","","0.71073","MoKα","","0.0541","0.0477","","","0.1305","0.1372","","","","","","1.041","","","","has coordinates,has Fobs","255589","2020-10-21","18:00:00",""
"2243551","12.2315","0.0012","4.2432","0.0007","6.3039","0.0001","90","","96.727","0.007","90","","324.92","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Thallium(I) <i>catena</i>-polyphosphate","","- O3 P Tl -","- O3 P Tl -","- O12 P4 Tl4 -","4","1","HB7938","Weil, Matthias","TlPO~3~ and its comparison with isotypic RbPO~3~ and CsPO~3~","Acta Crystallographica Section E","2020","76","9","1482","1485","10.1107/S2056989020011238","","","0.71073","MoKα","","0.0422","0.0273","","","0.0514","0.054","","","","","","0.992","","","","has coordinates,has Fobs","255590","2020-10-21","18:00:00",""
"2243552","7.2986","0.0001","5.8504","0.0001","29.7783","0.0005","90","","94.525","0.001","90","","1267.56","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-Cyano-4-methylchalcone","2-[3-(4-Methylphenyl)prop-2-enoyl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","TX2030","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone","Acta Crystallographica Section E","2020","76","9","1496","1502","10.1107/S2056989020011135","","x-ray","1.54178","CuKα","","0.0371","0.0327","","","0.0842","0.0874","","","","","","1.032","","","","has coordinates,has Fobs","255656","2020-10-21","18:00:00",""
"2243553","5.9282","0.0006","7.3614","0.0008","14.6747","0.0016","88.532","0.003","82.199","0.003","87.457","0.003","633.73","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3'-Bromo-4-methylchalcone","1-(2-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C32 H26 Br2 O2 -","2","1","","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone","Acta Crystallographica Section E","2020","76","9","1496","1502","10.1107/S2056989020011135","","x-ray","1.54178","CuKα","","0.0256","0.0255","","","0.065","0.0651","","","","","","1.094","","","","has coordinates,has Fobs","255656","2020-10-21","18:00:00",""
"2243554","11.8151","0.0005","12.6367","0.0006","6.4056","0.0003","90","","113.431","0.002","90","","877.52","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver zinc iron phosphate (1.64/1.64/1.36/3)","","- Ag1.64 Fe1.36 O12 P3 Zn1.64 -","- Ag1.64 Fe1.36 O12 P3 Zn1.64 -","- Ag6.56 Fe5.44 O48 P12 Zn6.56 -","4","0.5","PK2642","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Synthesis, crystal structure determination of a novel phosphate Ag~1.64~Zn~1.64~Fe~1.36~(PO~4~)~3~ with an alluaudite-like structure","Acta Crystallographica Section E","2020","76","9","1491","1495","10.1107/S2056989020011408","","","0.71073","MoKα","","0.0387","0.0237","","","0.0414","0.0443","","","","","","1.074","","","","has coordinates,has Fobs","255657","2020-10-21","18:00:00",""
"2243555","9.0732","0.0005","10.746","0.0006","11.5578","0.0006","92.373","0.004","102.383","0.005","112.703","0.005","1005.71","0.11","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)","","- C14 H25 Cl2 Cu2 N5 O2 -","- C14 H25 Cl2 Cu2 N5 O2 -","- C28 H50 Cl4 Cu4 N10 O4 -","2","1","ZQ2256","Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Safyanova, Inna S.; Znovjyak, Kateryna; Shova, Sergiu; Safarmamadov, Safarmamad M.","Crystal structure of dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)","Acta Crystallographica Section E","2020","76","9","1503","1507","10.1107/S2056989020011184","","x-ray","0.71073","MoKα","","0.0328","0.0266","","","0.0586","0.0613","","","","","","1.054","","","","has coordinates,has Fobs","255658","2020-10-21","18:00:00",""
"2243556","7.0614","0.0004","11.0738","0.0006","17.6541","0.001","90","","90","","90","","1380.49","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C12 H17 Cu N O6 -","- C12 H17 Cu N O6 -","- C48 H68 Cu4 N4 O24 -","4","1","","Katsuumi, Natsuki; Onami, Yuika; Pradhan, Sayantan; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2020","76","9","1539","1542","10.1107/S2056989020011706","","","0.71073","MoKα","","0.0843","0.0281","","","0.0643","0.0965","","","","","","1.325","","","","has coordinates,has Fobs","255740","2020-10-21","18:00:00",""
"2243557","7.1048","0.0004","5.3003","0.0003","11.9035","0.0007","90","","111.225","0.005","90","","417.85","0.04","240","2","240","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Sodium propionate","Poly[(μ~5~-propanoato)sodium(I)]","","- C3 H5 Na O2 -","- C3 H5 Na O2 -","- C12 H20 Na4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","1.54178","CuKα","","0.0594","0.0504","","","0.1341","0.1364","","","","4.13","4.13","3.6","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243558","3.907","0.0017","5.7872","0.0017","11.317","0.005","90","","94.03","0.02","90","","255.25","0.18","240","2","240","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Potassium propionate","Poly[(μ~5~-propanoato)potassium(I)]","","- C3 H5 K O2 -","- C3 H5 K O2 -","- C6 H10 K2 O4 -","2","0.5","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0656","0.0505","","","0.0852","0.0872","","","","2.24","2.24","2.07","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243559","4.1538","0.0013","6.0008","0.0016","11.182","0.003","80.038","0.01","81.465","0.01","88.987","0.01","271.47","0.13","240","","240","2","","","","","","","","4","P -1","-P 1","2","Rubidium propionate","Poly[(μ~5~-propanoato)rubidium(I)]","","- C3 H5 O2 Rb -","- C3 H5 O2 Rb -","- C6 H10 O4 Rb2 -","2","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0878","0.0467","","","0.0871","0.095","","","","1.61","1.61","1.36","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243560","4.4242","0.0001","6.2866","0.0002","21.4422","0.0008","90","","90","","90","","596.38","0.03","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Caesium propionate","Poly[(μ~5~-propanoato)caesium(I)]","","- C3 H5 Cs O2 -","- C3 H5 Cs O2 -","- C12 H20 Cs4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0296","0.0271","","","0.0675","0.0685","","","","1.65","1.65","1.63","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243561","9.6333","0.0019","12.77","0.003","17.956","0.004","73.82","0.03","83.55","0.03","88.86","0.03","2107.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-oxido-bis{2,6-bis[(dimethylamino)methyl]phenyl-κ<i>C</i>^1^}tellurium(IV) bis[trichlorido(dimethyl sulfoxide-κ<i>S</i>)platinate(II)]","","- C28 H50 Cl6 N4 O4 Pd2 S2 Te2 -","- C28 H50 Cl6 N4 O4 Pd2 S2 Te2 -","- C56 H100 Cl12 N8 O8 Pd4 S4 Te4 -","2","1","HB7941","Gupta, Anand; Deka, Rajesh; Butcher, Ray J.; Singh, Harkesh B.","Structure of a diorganotelluroxonium(IV) cation, {[2,6-(CH~2~NMe~2~)~2~C~6~H~3~Te(μ-O)]~2~}^2+^, with the trichlorido(dimethyl sulfoxide)platinum(II) anion","Acta Crystallographica Section E","2020","76","9","1520","1524","10.1107/S2056989020011482","","","0.71073","MoKα","","0.0264","0.0222","","","0.0506","0.0516","","","","","","0.987","","","","has coordinates,has Fobs","255742","2020-10-21","18:00:00",""
"2243562","7.9047","0.0019","12.138","0.002","13.959","0.003","90","","94.67","0.008","90","","1334.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Aminopyridinium thiocyanate‒4-aminopyridine (1/1)","","- C11 H13 N5 S -","- C11 H13 N5 S -","- C44 H52 N20 S4 -","4","1","YK2137","Renugadevi, M.; Sinthiya, A.; Poomani, Kumaradhas; Suresh, Suganya","Crystal structure and Hirshfeld surface analysis of 4-aminopyridinium thiocyanate‒4-aminopyridine (1/1)","Acta Crystallographica Section E","2020","76","9","1535","1538","10.1107/S2056989020011445","","","0.71075","MoKα","","0.0671","0.0529","","","0.1387","0.1483","","","","","","1.031","","","","has coordinates,has Fobs","255743","2020-10-21","18:00:00",""
"2243563","7.9801","0.0004","12.2381","0.0005","13.3712","0.0007","90","","90.134","0.002","90","","1305.84","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(4,5-dihydrofuran-2-yl)methylsilane","","- C13 H18 O3 Si -","- C13 H18 O3 Si -","- C52 H72 O12 Si4 -","4","1","WM5561","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0416","0.0346","","","0.0961","0.1011","","","","","","1.058","","","","has coordinates,has Fobs","255744","2020-10-21","18:00:00",""
"2243564","7.9801","0.0004","12.2381","0.0005","13.3712","0.0007","90","","90.134","0.002","90","","1305.84","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","b1135HAR","","","- C13 H18 O3 Si -","- C13 H18 O3 Si -","- C52 H72 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0234","0.0234","","0.0171","0.0171","0.0171","","","","","","1.9368","","","","has coordinates,has disorder,has Fobs","255744","2020-10-21","18:00:00",""
"2243565","9.4936","0.0006","8.6802","0.0007","19.747","0.002","90","","99.743","0.004","90","","1603.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(4,5-dihydrofuran-2-yl)phenylsilane","","- C18 H20 O3 Si -","- C18 H20 O3 Si -","- C72 H80 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0406","0.037","","","0.1019","0.105","","","","","","1.058","","","","has coordinates,has Fobs","255744","2020-10-21","18:00:00",""
"2243566","9.4936","0.0006","8.6802","0.0007","19.747","0.002","90","","99.743","0.004","90","","1603.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","B1807HAR","","","- C18 H20 O3 Si -","- C18 H20 O3 Si -","- C72 H80 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0238","0.0238","","0.0208","0.0208","0.0208","","","","","","2.0711","","","","has coordinates,has disorder,has Fobs","255744","2020-10-21","18:00:00",""
"2243567","9.9759","0.0002","10.6052","0.0002","22.8535","0.0004","90","","90","","90","","2417.82","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate] monohydrate","","- C24 H32 N2 O9 -","- C24 H32 N2 O9 -","- C96 H128 N8 O36 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0459","0.0439","","","0.1149","0.1167","","","","","","1.049","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243568","9.8293","0.0002","10.4915","0.0002","22.9863","0.0006","90","","90","","90","","2370.44","0.09","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate]","","- C24 H30 N2 O8 -","- C24 H30 N2 O8 -","- C96 H120 N8 O32 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0473","0.0469","","","0.1332","0.1338","","","","","","1.088","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243569","11.985","0.0003","11.985","0.0003","52.4508","0.0014","90","","90","","90","","7534","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate","","- C86 H60 Cl6 Fe O8 P4 -","- C86 H60 Cl6 Fe O8 P4 -","- C344 H240 Cl24 Fe4 O32 P16 -","4","0.5","HB7939","Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H.","Crystal structure of bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Acta Crystallographica Section E","2020","76","9","1525","1527","10.1107/S2056989020011160","","","1.54178","CuKα","","0.0494","0.0425","","","0.105","0.1098","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255746","2020-10-21","18:00:00",""
"2243570","7.3925","0.0003","15.4082","0.0006","23.575","0.0009","90","","90","","90","","2685.31","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","ZL2794","Cinar, Emine Berrin; Faizi, Md. Serajul Haque; Yagci, Nermin Kahveci; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","10","1551","1556","10.1107/S2056989020011652","","","0.71073","MoKα","","0.0781","0.0427","","","0.1114","0.1248","","","","","","1.035","","","","has coordinates,has Fobs","255918","2020-10-21","18:00:00",""
"2243571","8.173","0.0004","11.8143","0.0009","13.1721","0.0008","90","","90","","90","","1271.88","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(2-Iodophenyl)imino]methyl}-6-methylphenol","","- C14 H12 I N O -","- C14 H12 I N O -","- C56 H48 I4 N4 O4 -","4","1","ZL2795","Kansiz, Sevgi; Agar, Tuggan; Dege, Necmi; Dogan, Onur Erman; Ahmed, Ruby; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-{[(2-iodophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","10","1595","1598","10.1107/S2056989020011974","","","0.71073","MoKα","","0.0444","0.0312","","","0.0598","0.0628","","","","","","0.92","","","","has coordinates,has Fobs","255919","2020-10-21","18:00:00",""
"2243572","5.7905","0.0003","9.7461","0.0005","10.172","0.0004","82.064","0.003","84.754","0.004","77.739","0.004","554.44","0.05","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","1,1'-Bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene","","- C26 H22 Fe N8 -","- C26 H22 Fe N8 -","- C26 H22 Fe N8 -","1","0.5","PK2645","Pokharel, Uttam R.; Naquin, Aaron P.; Brochon, Connor P.; Fronczek, Frank R.","Synthesis and crystal structure of 1,1'-bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene, and its complexation with Cu^I^","Acta Crystallographica Section E","2020","76","10","1582","1586","10.1107/S2056989020011901","","","0.71073","MoKα","","0.0529","0.0407","","","0.093","0.0989","","","","","","1.062","","","","has coordinates,has Fobs","255920","2020-10-21","18:00:00",""
"2243573","17.251","0.001","5.6849","0.0003","17.3101","0.0011","90","","116.958","0.004","90","","1513.14","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(4-Propyloxybenzylidene)benzo[<i>d</i>]thiazol-2-amine","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","WM5582","Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>-(4-propyloxybenzylidene)benzo[<i>d</i>]thiazol-2-amine","Acta Crystallographica Section E","2020","76","10","1591","1594","10.1107/S2056989020012128","","","0.71073","MoKα","","0.0805","0.0453","","","0.0882","0.099","","","","","","0.98","","","","has coordinates,has Fobs","255921","2020-10-21","18:00:00",""
"2243574","14.7856","0.0008","15.9841","0.0009","10.3188","0.0006","90","","99.21","0.004","90","","2407.2","0.2","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-nitrochalcone","1-(3-Nitrophenyl)-3-phenylprop-2-en-1-one","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.1002","0.0493","","","0.1136","0.1411","","","","","","0.991","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243575","17.3171","0.0007","7.0708","0.0003","11.3487","0.0004","90","","90.761","0.003","90","","1389.48","0.1","100","","100.04","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4'-Dimethylamino,3-nitrochalcone","1-[4-(Dimethylamino)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.0593","0.0428","","","0.1127","0.1228","","","","","","1.039","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243576","7.7552","0.0004","15.6998","0.0007","12.0525","0.0007","90","","100.668","0.003","90","","1442.09","0.13","200","","200.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3'-Nitro,4-dimethylaminochalcone","3-[3-(Dimethylamino)phenyl]-1-(3-nitrophenyl)prop-2-en-1-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.0981","0.0493","","","0.1112","0.1325","","","","","","1.018","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243577","9.5632","0.0001","17.8067","0.0003","16.1958","0.0003","90","","103.463","0.001","90","","2682.18","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-Benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one","","- C34 H30 N2 O3 -","- C34 H30 N2 O3 -","- C136 H120 N8 O12 -","4","1","TX2027","Selvaraj, Janet Priyavathani; Mary, Stella; Dhruba, Jyoti Boruah; Huidrom, Birkumar Singh; Panneerselvam, Yuvaraj; Piskala Subburaman, Kannan","Crystal structure of (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one","Acta Crystallographica Section E","2020","76","10","1548","1550","10.1107/S2056989020010300","","","0.71073","MoKα","","0.0714","0.0527","","","0.1275","0.1443","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","255923","2020-10-21","18:00:00",""
"2243578","10.7318","0.0004","17.4541","0.0004","15.0082","0.0004","90","","92.055","0.001","90","","2809.44","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triethylammonium hexabromidouranate(IV) dichloromethane monosolvate","","- C13 H34 Br6 Cl2 N2 U -","- C13 H34 Br6 Cl2 N2 U -","- C52 H136 Br24 Cl8 N8 U4 -","4","1","ZL2792","Deubner, Holger Lars; Koester, Marcel; von Haenisch, Carsten; Kraus, Florian","Synthesis and crystal structure of triethylammonium hexabromidouranate(IV) dichloromethane monosolvate","Acta Crystallographica Section E","2020","76","10","1587","1590","10.1107/S205698902001169X","","","0.71073","MoKα","","0.0302","0.0246","","","0.0573","0.0594","","","","","","1.044","","","","has coordinates","255924","2020-10-21","18:00:00",""
"2243579","13.307","0.0006","9.1782","0.0004","32.2298","0.0016","90","","100.251","0.002","90","","3873.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-Fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate","","- C53 H36 Cl2 N2 O2 -","- C53 H36 Cl2 N2 O2 -","- C212 H144 Cl8 N8 O8 -","4","1","","Wodajo, Ayalew; Tskhovrebov, Alexander G.; Le, Tuan Anh; Kubasov, Alexey S.; Grishina, Maria M.; Krutius, Oleg N.; Khrustalev, Victor N.","Crystal structure of 1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate","Acta Crystallographica Section E","2020","76","10","1579","1581","10.1107/S2056989020012104","","","0.71073","MoKα","","0.0759","0.0526","","","0.1292","0.1397","","","","","","1.031","","","","has coordinates,has Fobs","255925","2020-10-21","18:00:00",""
"2243580","7.2407","0.001","11.8145","0.0003","13.062","0.002","90","","98.334","0.007","90","","1105.6","0.2","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dipotassium rubidium citrate monohydrate","Dipotassium rubidium citrate monohydrate","","- C6 H7 K2.108 O8 Rb0.892 -","- C6 H7 K2.107 O8 Rb0.893 -","- C24 H28 K8.428 O32 Rb3.572 -","4","1","HB7917","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","powder diffraction","x-ray","0.70932","Kα~1,2~","","","","","","0.03327","","","","1.884","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243581","7.2407","","11.8185","","13.0617","","90","","98.334","","90","","1105.94","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243582","7.2407","","11.81851","","13.06177","","90","","98.334","","90","","1105.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243583","7.2407","","11.81851","","13.06177","","90","","98.334","","90","","1105.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243584","7.3507","0.0005","11.8468","0.0004","13.2275","0.0012","90","","98.109","0.004","90","","1140.36","0.14","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium dirubidium citrate monohydrate","Potassium dirubidium citrate monohydrate","","- C6 H7 K1.37 O8 Rb1.63 -","- C6 H7 K1.371 O8 Rb1.629 -","- C24 H28 K5.484 O32 Rb6.516 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","powder diffraction","x-ray","0.70932","Kα~1,2~","","","","","","0.03232","","","","1.851","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243585","7.350692","","11.846841","","13.227547","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243586","7.350692","","11.846841","","13.227549","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243587","7.350692","","11.846841","","13.227549","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243588","19.9042","0.001","6.6243","0.0004","10.5636","0.0007","90","","90.819","0.004","90","","1392.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C4 H4 Cl2 N2 O3 -","- C4 H4 Cl2 N2 O3 -","- C32 H32 Cl16 N16 O24 -","8","1","ZQ2257","Novikov, Anton P.; Ryagin, Sergey N.; Grigoriev, Mikhail S.; Safonov, Alexey V.; German, Konstantin E.","5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione: molecular and crystal structure, Hirshfeld surface analysis and the new route for synthesis with Mg(ReO~4~)~2~ as a new catalyst","Acta Crystallographica Section E","2020","76","10","1557","1561","10.1107/S2056989020011809","","","0.71073","MoKα","","0.0711","0.0419","","","0.0919","0.1029","","","","","","1.02","","","","has coordinates,has Fobs","255927","2020-10-21","18:00:00",""
"2243589","29.3802","0.0019","10.8106","0.0007","13.6002","0.0009","90","","91.214","0.003","90","","4318.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[η^5^-(<i>tert</i>-butoxycarbonyl)cyclopentadienyl]dichloridotitanium(IV)","","- C20 H26 Cl2 O4 Ti -","- C20 H26 Cl2 O4 Ti -","- C160 H208 Cl16 O32 Ti8 -","8","1","PK2643","McCarthy, Jackson S.; McMillen, Colin D.; Pienkos, Jared A.; Wagenknecht, Paul S.","Synthesis and characterization of a <i>tert-</i>butyl ester-substituted titanocene dichloride: ^<i>t^-BuOOC</i>Cp~2~TiCl~2~","Acta Crystallographica Section E","2020","76","10","1562","1565","10.1107/S2056989020011834","","","0.71073","MoKα","","0.072","0.0482","","","0.0869","0.1059","","","","","","1.163","","","","has coordinates,has Fobs","255928","2020-10-21","18:00:00",""
"2243590","7.1512","0.0003","7.1512","0.0003","6.3639","0.0003","90","","90","","120","","281.85","0.02","100.01","","100.01","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium(I) iodide oxide","","- I O Tl3 -","- I O Tl3 -","- I2 O2 Tl6 -","2","0.0833333","PK2648","Albrecht, Ralf; Menning, Heinrich; Doert, Thomas; Ruck, Michael","Hydroflux synthesis and crystal structure of Tl~3~IO","Acta Crystallographica Section E","2020","76","10","1638","1640","10.1107/S2056989020012359","","","0.71073","MoKα","","0.0216","0.0176","","","0.0403","0.0413","","","","","","1.29","","","","has coordinates,has Fobs","256383","2020-10-21","18:00:00",""
"2243591","4.6928","0.0006","9.3881","0.0013","22.918","0.003","90","","91.646","0.003","90","","1009.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Melaminium cyanoacetate monohydrate","2,4,6-Triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate","","- C6 H11 N7 O3 -","- C6 H11 N7 O3 -","- C24 H44 N28 O12 -","4","1","","Sigdel Regmi, Bhawani; Apblett, Allen; Powell, Douglas","Crystal structure of melaminium cyanoacetate monohydrate","Acta Crystallographica Section E","2020","76","10","1645","1648","10.1107/S2056989020012335","","","0.71073","MoKα","","0.0735","0.0472","","","0.1123","0.1258","","","","","","1.004","","","","has coordinates,has Fobs","256384","2020-10-21","18:00:00",""
"2243592","14.493","0.0007","8.8855","0.0003","26.6017","0.0011","90","","103.998","0.005","90","","3324","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}-1:2κ^4^<i>O</i>,<i>O</i>',\ <i>O</i>'':<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>,<i>O</i>',<i>O</i>''-\ bis(μ-3,5-dimethylpyrazolato)-1:2κ^2^<i>N</i>^1^:<i>N</i>^2^;\ 2:3<i>N</i>^1^:<i>N</i>^2^-tricopper(II) dibromide sesquihydrate","","- C22 H45 Br2 Cu3 N6 O7.5 -","- C22 H45 Br2 Cu3 N6 O7.5 -","- C88 H180 Br8 Cu12 N24 O30 -","4","0.5","DJ2014","Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia V.; Shova, Sergiu; Safarmamadov, Safarmamad M.","Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate","Acta Crystallographica Section E","2020","76","10","1641","1644","10.1107/S2056989020012323","","x-ray","0.71073","MoKα","","0.0513","0.0392","","","0.0976","0.1046","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","256385","2020-10-21","18:00:00",""
"2243593","10.12201","0.00005","10.12201","0.00005","10.12201","0.00005","90","","90","","90","","1037.05","0.009","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf6 K8 Ni2 O48 P12 -","4","0.333333","WM5581","Zhou, Liang; Butenko, Denys S.; Ogorodnyk, Ivan V.; Klyui, Nickolai I.; Zatovsky, Igor V.","Rietveld refinement of the langbeinite-type phosphate K~2~Ni~0.5~Hf~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2020","76","10","1634","1637","10.1107/S2056989020012062","powder diffraction","","1.54187","CuKα","","3.21","","","","","","","","2.1","","","","","","","has coordinates,has Fobs","256386","2020-10-21","18:00:00",""
"2243594","7.4102","0.0006","24.629","0.002","18.446","0.001","90","","98.478","0.006","90","","3329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Clozapinium hydrogen bis(3,5-dinitrobenzoate)","4-[6-Chloro-2,9-diazatricyclo[9.4.0.0^3,8^]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl]-1-methylpiperazin-1-ium 3,5-dinitrobenzoate‒3,5-dinitrobenzic acid (1/1)","","- C32 H27 Cl N8 O12 -","- C32 H27 Cl N8 O12 -","- C128 H108 Cl4 N32 O48 -","4","1","HB7944","Shaibah, Mohammed A. E.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","A very short O—H···O hydrogen bond in the structure of clozapinium hydrogen bis(3,5-dinitrobenzoate)","Acta Crystallographica Section E","2020","76","10","1629","1633","10.1107/S2056989020012268","","","0.71073","MoKα","","0.1266","0.062","","","0.1141","0.1326","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","256387","2020-10-21","18:00:00",""
"2243595","10.0952","0.0004","13.0135","0.0006","13.5643","0.0005","74.429","0.005","75.671","0.005","78.309","0.006","1645.39","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","Tris[4-(naphthalen-1-yl)phenyl]amine","","- C48 H33 N -","- C48 H33 N -","- C96 H66 N2 -","2","1","IS5556","Yano, Masafumi; Kashiwagi, Yukiyasu; Inada, Yoshinori; Hayashi, Yuki; Mitsudo, Koichi; Kubono, Koji","Crystal structure of tris[4-(naphthalen-1-yl)phenyl]amine","Acta Crystallographica Section E","2020","76","10","1649","1652","10.1107/S2056989020012529","","","0.71075","MoKα","","0.0776","0.0531","","","0.1129","0.1233","","","","","","1.038","","","","has coordinates,has Fobs","256558","2020-10-21","18:00:00",""
"2243596","11.153","0.003","6.8926","0.0015","14.6","0.003","90","","97.528","0.005","90","","1112.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 5-chloro-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","","- C10 H8 Cl N O5 S -","- C10 H8 Cl N O5 S -","- C40 H32 Cl4 N4 O20 S4 -","4","1","PK2647","Shishkina, Svitlana V.; Petrushova, Lidiya A.; Burian, Kateryna O.; Fedosov, Andrii I.; Ukrainets, Igor V.","Methyl 5-chloro-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate: structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","10","1657","1660","10.1107/S2056989020012566","","","0.71073","MoKα","","0.1014","0.063","","","0.1323","0.1451","","","","","","1.053","","","","has coordinates,has Fobs","256559","2020-10-21","18:00:00",""
"2243597","5.7615","0.0004","9.7752","0.0008","10.6833","0.0009","90","","101.255","0.008","90","","590.11","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","6-Azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-glucofuranose","","- C9 H15 N3 O5 -","- C9 H15 N3 O5 -","- C18 H30 N6 O10 -","2","1","HB7940","Wood, Adam; Bernhardt, Paul V.; van Altena, Ian; Simone, Michela I.","Crystal structure of 6-azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2020","76","10","1653","1656","10.1107/S2056989020012438","","x-ray","1.54184","CuKα","","0.0384","0.0361","","","0.0847","0.0864","","","","","","1.082","","","","has coordinates,has Fobs","256560","2020-10-21","18:00:00",""
"2243598","11.919","0.0005","4.5454","0.0002","24.3172","0.0009","90","","97.517","0.001","90","","1306.1","0.09","240","","240","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","potassium isobutyrate monohydrate","Poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i),<i>O</i>':<i>O</i>')dipotassium]","","- C8 H16 K2 O5 -","- C8 H16 K2 O5 -","- C32 H64 K8 O20 -","4","0.5","DJ2009","Fábry, Jan; Samolová, Erika","Crystal structure of poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')dipotassium]","Acta Crystallographica Section E","2020","76","10","1669","1674","10.1107/S2056989020012591","","x-ray","1.54178","CuKα","","0.0295","0.0284","","","0.0812","0.082","","","","2.52","2.52","2.48","","","","has coordinates,has Fobs","256648","2020-10-21","18:00:00",""
"2243599","8.9656","0.0005","12.506","0.0006","14.2311","0.0007","67.552","0.005","85.106","0.004","84.087","0.004","1465.06","0.14","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>^1^,<i>N</i>^3^-Bis[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)iron(II)","","- C27 H28 Fe N10 S2 -","- C27 H28 Fe N10 S2 -","- C54 H56 Fe2 N20 S4 -","2","1","WM5580","Znovjyak, Kateryna; Seredyuk, Maksym; Malinkin, Sergey O.; Shova, Sergiu; Soliev, Lutfullo","Crystal structure of {<i>N</i>^1^,<i>N</i>^3^-bis[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2020","76","10","1661","1664","10.1107/S2056989020012608","","x-ray","0.71073","MoKα","","0.0461","0.0373","","","0.0774","0.0818","","","","","","1.034","","","","has coordinates,has Fobs","256651","2020-10-21","18:00:00",""
"2243600","6.6662","0.0002","19.5903","0.0007","23.4286","0.0008","90","","90","","90","","3059.61","0.18","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","calcium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate]","","- C8 H24 Ca O9 -","- C8 H24 Ca O9 -","- C64 H192 Ca8 O72 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.078","0.0807","","","","2.11","2.11","1.99","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243601","6.8801","0.0003","19.752","0.0011","23.2734","0.0013","90","","90","","90","","3162.8","0.3","120","","120","","","","","","","","","4","C m c e","-C 2ac 2","64","strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate]","","- C8 H24 O9 Sr -","- C8 H24 O9 Sr -","- C64 H192 O72 Sr8 -","8","0.5","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0254","0.021","","","0.0543","0.0552","","","","1.87","1.87","1.79","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243602","6.7153","0.0003","19.6061","0.001","23.3498","0.0011","90","","90","","90","","3074.3","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","calcium strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","","- C8 H24 Ca0.794 O9 Sr0.206 -","- C8 H24 Ca0.7936 O9 Sr0.2064 -","- C64 H192 Ca6.3488 O72 Sr1.6512 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0373","0.0258","","","0.059","0.0615","","","","1.68","1.68","1.54","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243603","27.505","0.003","12.3814","0.0012","14.6346","0.0014","90","","99.999","0.003","90","","4908.1","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-(6,6'-dimethyl-[1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate","","- C52 H60.5 N6 O10.25 -","- C52 H60.5 N6 O10.25 -","- C208 H242 N24 O41 -","4","1","VM2240","Nguyen, Xuan Tu; Le, Thuy Quynh; Bui Thi, Tra My; Mac, Dinh Hung; Bui, Thai Thanh Thu","Synthesis and crystal structure of peptide dimethyl biphenyl hybrid C~52~H~60~N~6~O~10~·0.25H~2~O","Acta Crystallographica Section E","2020","76","10","1675","1678","10.1107/S2056989020012931","","","0.71073","MoKα","","0.052","0.0381","","","0.0807","0.0862","","","","","","1.064","","","","has coordinates,has disorder","256796","2020-10-21","18:00:00",""
"2243604","13.2239","0.0007","15.3576","0.0008","17.1061","0.0008","90","","107.029","0.0017","90","","3321.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{1-[(3,5-Bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol monohydrate","","- C35 H53 N5 O2 -","- C35 H53 N5 O2 -","- C140 H212 N20 O8 -","4","1","IS5557","Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika","Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol","Acta Crystallographica Section E","2020","76","10","1679","1683","10.1107/S2056989020012554","","","0.71073","MoKα","","0.0614","0.0431","","","0.1045","0.1136","","","","","","1.025","","","","has coordinates,has Fobs","256797","2020-10-21","18:00:00",""
"2243605","12.1169","0.0004","13.238","0.0005","13.6258","0.0005","68.373","0.002","79.379","0.002","67.392","0.002","1873.32","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","{1-[(3,5-Bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol methanol monosolvate","","- C36 H55 N5 O2 -","- C36 H55 N5 O2 -","- C72 H110 N10 O4 -","2","1","IS5557","Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika","Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol","Acta Crystallographica Section E","2020","76","10","1679","1683","10.1107/S2056989020012554","","","0.71073","MoKα","","0.1358","0.0649","","","0.1447","0.1841","","","","","","1.205","","","","has coordinates,has disorder,has Fobs","256797","2020-10-21","18:00:00",""
"2243614","8.4326","0.0006","31.778","0.002","8.468","0.0006","90","","110.052","0.002","90","","2131.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[(4-Methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C20 H25 Br N4 O S -","- C20 H25 Br N4 O S -","- C80 H100 Br4 N16 O4 S4 -","4","1","JY2001","Duruskari, Gulnara Sh.; Khalilov, Ali N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","10","1694","1698","10.1107/S2056989020012712","","","0.71073","MoKα","","0.0678","0.0382","","","0.0765","0.087","","","","","","1.028","","","","has coordinates,has Fobs","256881","2020-10-21","18:00:00",""
"2243615","10.3647","0.0007","10.7781","0.0008","11.8303","0.0008","85.318","0.003","86.231","0.003","77.583","0.003","1284.79","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)hexamethanoltetramanganese(III)nickel(II) methanol disolvate monohydrate","","- C40 H56 Mn4 N4 Ni O25 -","- C40 H56 Mn4 N4 Ni O25 -","- C40 H56 Mn4 N4 Ni O25 -","1","0.5","IS5558","Hall, Abigail J.; Zeller, Matthias; Zaleski, Curtis M.","Synthesis and crystal structure of a heterobimetallic nickel‒manganese 12-metallacrown-4 methanol disolvate monohydrate compound","Acta Crystallographica Section E","2020","76","11","1720","1724","10.1107/S205698902001316X","","","0.71073","MoKα","","0.0642","0.0495","","","0.1308","0.1372","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","258223","2020-10-21","18:00:00",""
"2243616","6.0378","0.0005","6.0378","0.0005","9.8133","0.0009","90","","90","","120","","309.82","0.05","301","2","301","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","Barium cerium lutetium aluminosilicate nitride oxide","","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.8 O0.2 Si7.6 -","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.7998 O0.2002 Si7.6 -","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.7998 O0.2002 Si7.6 -","1","0.0833333","RU2072","Simura, Rayko; Yamane, Hisanori","Lu-atom-ordered oxonitridoaluminosilicate Ba~0.9~Ce~0.1~LuAl~0.2~Si~3.8~N~6.9~O~0.1~","Acta Crystallographica Section E","2020","76","11","1708","1711","10.1107/S2056989020013158","","","0.71073","MoKα","","0.0228","0.022","","","0.0539","0.0548","","","","","","1.037","","","","has coordinates,has Fobs","258224","2020-10-21","18:00:00",""
"2243617","13.9881","0.0005","9.822","0.0004","9.7446","0.0004","90","","91.391","0.006","90","","1338.43","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-1κ<i>S</i>:2κ<i>S</i>,2(η^2^)-<i>N</i>-(Prop-2-en-1-yl)piperidine-1-carbothioamide]μ-2κ<i>S</i>,2(η^2^):1κ<i>S</i>-<i>N</i>-(prop-2-en-1-yl)piperidine-1-carbothioamide]bis[(thiocyanato-κ<i>N</i>)copper(I)]","","- C20 H32 Cu2 N6 S4 -","- C20 H32 Cu2 N6 S4 -","- C40 H64 Cu4 N12 S8 -","2","0.5","YZ2001","Tanaka, Takeshi; Kashiwagi, Yukiyasu; Nakagawa, Masami","Crystal structure of bis[μ-<i>N</i>-(η^2^-prop-2-en-1-yl)piperidine-1-carbothioamide-κ^2^<i>S</i>:<i>S</i>]bis[(thiocyanato-κ<i>N</i>)copper(I)]","Acta Crystallographica Section E","2020","76","11","1712","1715","10.1107/S2056989020013146","","x-ray","0.71075","MoKα","","0.0583","0.0445","","","0.0931","0.0984","","","","","","1.081","","","","has coordinates,has Fobs","258225","2020-10-21","18:00:00",""
"2243618","7.0228","0.0004","7.0228","0.0004","17.4934","0.0015","90","","90","","120","","747.18","0.09","290","2","290","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium magnesium trichloride","","- Cl3 Mg Tl -","- Cl3 Mg Tl -","- Cl18 Mg6 Tl6 -","6","0.25","HB7945","Onken, Drew R.; Perrodin, Didier; Vogel, Sven C.; Bourret, Edith D.; Moretti, Federico","The crystal structure of TlMgCl~3~ from 290K to 725K","Acta Crystallographica Section E","2020","76","11","1716","1719","10.1107/S2056989020013201","","","0.71073","MoKα","","0.0627","0.0466","","","0.1088","0.1125","","","","","","1.417","","","","has coordinates,has Fobs","258226","2020-10-21","18:00:00",""
"2243619","31.9834","0.0014","27.7358","0.0013","6.661","0.0004","90","","90","","90","","5908.9","0.5","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","2,6-Bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","4-[6-(3-Hydroxy-3-methylbut-1-yn-1-yl)pyridin-2-yl]-2-methylbut-3-yn-2-ol monohydrate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C240 H304 N16 O48 -","16","1","IS5553","Koizumi, Take-aki; Takata, Toshikazu","Crystal structure of 2,6-bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","Acta Crystallographica Section E","2020","76","11","1737","1740","10.1107/S2056989020013304","","x-ray","1.54184","CuKα","","0.0297","0.0294","","","0.081","0.0815","","","","","","1.037","","","","has coordinates,has Fobs","258297","2020-10-21","18:00:00",""
"2243620","7.0788","0.0005","24.6279","0.0016","10.584","0.0007","90","","91.059","0.001","90","","1844.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diazido[5-ethoxycarbonyl-2-(5-ethoxycarbonylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]gold(III)","","- C17 H16 Au N7 O4 -","- C17 H16 Au N7 O4 -","- C68 H64 Au4 N28 O16 -","4","1","YK2139","Levchenko, Volodymyr; Øien-Ødegaard, Sigurd; Wragg, David; Tilset, Mats","Crystal structure of (N^C) cyclometalated Au^III^ diazide at 100K","Acta Crystallographica Section E","2020","76","11","1725","1727","10.1107/S2056989020012955","","x-ray","0.71073","MoKα","","0.0249","0.0175","","","0.0342","0.0361","","","","","","1.093","","","","has coordinates,has Fobs","258298","2020-10-21","18:00:00",""
"2243621","8.79348","0.00019","27.8665","0.0005","10.2288","0.0003","90","","112.393","0.003","90","","2317.49","0.11","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Goniotamirenone C","6-(2-Chloro-1-hydroxy-2-phenylethyl)-2<i>H</i>-pyran-2-one","","- C13 H11 Cl O3 -","- C13 H11 Cl O3 -","- C104 H88 Cl8 O24 -","8","2","VM2241","Meesakul, Pornphimol; Richardson, Christopher; Laphookhieo, Surat; Pyne, Stephen G.","Synthesis and crystal structure of (±)-Goniotamirenone C","Acta Crystallographica Section E","2020","76","11","1728","1731","10.1107/S2056989020013298","","x-ray","0.71073","MoKα","","0.048","0.0395","","","0.0985","0.1025","","","","","","1.084","","","","has coordinates,has disorder","258299","2020-10-21","18:00:00",""
"2243622","9.8065","0.0003","16.6719","0.0004","37.2296","0.0009","90","","95.562","0.003","90","","6058.1","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diammonium bis[tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis[tris(oxalato-κ^2^<i>O</i><i>,O</i>')chromate(III)] 6.76-hydrate","","- C24 H57.53 Cr2 N26 Ni2 O42.76 -","- C24 H36 Cr2 N26 Ni2 O42.763 -","- C96 H144 Cr8 N104 Ni8 O171.052 -","4","1","WM5586","Mbiangué, Yves Alain; Bijvédé, Alfred; Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Lecomte, Claude","Crystal structure of diammonium bis[tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis[tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III)] 6.76-hydrate","Acta Crystallographica Section E","2020","76","11","1732","1736","10.1107/S2056989020013390","","","1.54184","CuKα","","0.0654","0.0596","","","0.1715","0.1778","","","","","","1.057","","","","has coordinates,has Fobs","258300","2020-10-21","18:00:00",""
"2243623","14.894","0.0015","35.155","0.004","5.9513","0.0006","90","","100.987","0.002","90","","3059","0.6","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Bis(3,5-di-<i>p</i>-tolylpyrrol-2-yl)pyridine","2,6-Bis[3,5-bis(4-methylphenyl)pyrrol-2-yl]pyridine","","- C41 H35 N3 -","- C41 H35 N3 -","- C164 H140 N12 -","4","1","ZL2799","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.1194","0.0759","","","0.1635","0.1817","","","","","","1.064","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243624","6.6482","0.0004","27.1709","0.0018","9.1322","0.0006","90","","101.07","0.0012","90","","1618.92","0.18","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[2,2'-(Pyridin-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]carbonylnickel(II)","Carbonyl{2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C42 H33 N3 Ni O -","- C42 H33 N3 Ni O -","- C84 H66 N6 Ni2 O2 -","2","0.5","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.068","0.0496","","","0.1123","0.1192","","","","","","1.068","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243625","15.9773","0.0006","14.9441","0.0005","14.3238","0.0005","90","","107.814","0.0008","90","","3256.1","0.2","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammine[2,2'-(pyridine-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]nickel(II)","Ammine{2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C41 H36 N4 Ni -","- C41 H36 N4 Ni -","- C164 H144 N16 Ni4 -","4","1","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.0444","0.0356","","","0.0929","0.0981","","","","","","1.053","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243626","11.2735","0.0016","14.1802","0.0019","14.688","0.002","67.162","0.002","68.881","0.002","80.665","0.002","2017.9","0.5","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","(Acetonitrile-κ<i>N</i>)[2,2'-(pyridine-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]nickel(II)","(Acetonitrile-κ<i>N</i>){2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C49 H50 N4 Ni -","- C49 H50 N4 Ni -","- C98 H100 N8 Ni2 -","2","1","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.0897","0.0679","","","0.1785","0.1927","","","","","","1","","","","has coordinates,has disorder,has Fobs","258301","2020-10-21","18:00:00",""
"2243627","5.0789","0.0004","8.0801","0.0006","20.8682","0.0019","92.481","0.007","91.984","0.007","94.253","0.006","852.62","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","5-Hydroxy-3,6,7,8-tetramethoxyflavone","5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C19 H18 O7 -","- C19 H18 O7 -","- C38 H36 O14 -","2","1","ZN2001","Aisa, Haji Akber; Izotova, Lidiya; Karimov, Abdurashid; Botirov, Erkin; Mamadrahimov, Azimjon; Ibragimov, Bahtiyar","Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone","Acta Crystallographica Section E","2020","76","11","1748","1751","10.1107/S2056989020013596","","","1.54184","CuKα","","0.0778","0.0562","","","0.1528","0.1738","","","","","","1.033","","","","has coordinates,has Fobs","258362","2020-10-21","18:00:00",""
"2243628","26.3412","0.0008","11.427","0.0003","8.6226","0.0003","90","","90.465","0.003","90","","2595.32","0.14","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Aquadichlorido{1,1'-[(pyridine-2,6-diyl-κ<i>N</i>)bis(methylene)]bis(4-butyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione-κ<i>N</i>^2^)}cobalt(II)","","- C19 H29 Cl2 Co N7 O S2 -","- C19 H29 Cl2 Co N7 O S2 -","- C76 H116 Cl8 Co4 N28 O4 S8 -","4","0.5","JY2002","Miecznikowski, John R.; Jasinski, Jerry P.; Ostrowski, Tyler J.; Landy, Kendra R.; Bonitatibus, Sheila C.; Smolinsky, Allison N.; Bertolotti, Natalia R.","Crystal structure and spectroscopic properties of aquadichlorido{1,1'-[(pyridine-2,6-diyl-κ<i>N</i>)bis(methylene)]bis(4-butyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione-κ<i>N</i>^2^)}cobalt(II)","Acta Crystallographica Section E","2020","76","11","1757","1761","10.1107/S2056989020013547","","","1.54184","CuKα","","0.108","0.0819","","","0.2086","0.235","","","","","","1.066","","","","has coordinates,has Fobs","258449","2020-10-21","18:00:00",""
"2243629","8.9213","0.001","10.0759","0.0012","9.101","0.0011","90","","99.983","0.002","90","","805.7","0.16","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(Trifluoromethyl)picolinic acid monohydrate","5-(Trifluoromethyl)pyridine-2-carboxylic acid monohydrate","","- C7 H6 F3 N O3 -","- C7 H6 F3 N O3 -","- C28 H24 F12 N4 O12 -","4","1","DJ2015","Ye, Naike; Tanski, Joseph M.","The crystal structure of 5-(trifluoromethyl)picolinic acid monohydrate reveals a water-bridged hydrogen-bonding network","Acta Crystallographica Section E","2020","76","11","1752","1756","10.1107/S2056989020013523","","","0.71073","MoKα","","0.0402","0.0342","","","0.0968","0.1025","","","","","","1.069","","","","has coordinates,has Fobs","258450","2020-10-21","18:00:00",""
"2243640","14.4554","0.0004","8.5865","0.0002","24.8055","0.0008","90","","99.209","0.003","90","","3039.21","0.15","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-picolinecoppercomplex","Dichlorido(methanol-κ<i>O</i>)bis(2-methylpyridine-κ<i>N</i>)copper(II)","","- C13 H18 Cl2 Cu N2 O -","- C13 H18 Cl2 Cu N2 O -","- C104 H144 Cl16 Cu8 N16 O8 -","8","1","YK2140","Reddy, J. Prakasha","Crystal structure and Hirshfeld surface analysis of dichlorido(methanol-κ<i>O</i>)bis(2-methylpyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2020","76","11","1771","1774","10.1107/S2056989020014036","","","0.71073","MoKα","","0.0506","0.0381","","","0.0741","0.0805","","","","","","1.125","","","","has coordinates,has Fobs","258588","2020-10-24","04:09:36",""
"2243641","21.4112","0.0008","11.9708","0.0002","13.7726","0.0004","90","","128.316","0.007","90","","2769.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[gold(I)-μ-1,2-bis(diphenylphosphinothioyl)ethane-κ^2^<i>S</i>:<i>S</i>'] dibromidoaurate(I)]","","- C26 H24 Au2 Br2 P2 S2 -","- C26 H24 Au2 Br2 P2 S2 -","- C104 H96 Au8 Br8 P8 S8 -","4","0.5","EX2037","Taouss, Christina; Calvo, Marina; Jones, Peter G.","Crystal structure of the unusual coordination polymer <i>catena</i>-poly[[gold(I)-μ-1,2-bis(diphenylphosphinothioyl)ethane-κ^2^<i>S</i>:<i>S</i>'] dibromidoaurate(I)]","Acta Crystallographica Section E","2020","76","11","1768","1770","10.1107/S2056989020013675","","","1.54184","CuKα","","0.0235","0.0209","","","0.0518","0.0531","","","","","","1.055","","","","has coordinates,has Fobs","258589","2020-10-24","04:10:08",""
"2243642","7.2948","0.0003","7.1242","0.0003","16.8297","0.0007","90","","97.644","0.003","90","","866.86","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-{3-[(4-Methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C42 H34 N6 O10 -","2","1","DJ2013","Moreno-Fuquen, Rodolfo; Hurtado-Angulo, Mario; Arango-Daraviña, Kevin; Bain, Gavin; Kennedy, Alan R.","Synthesis, crystal structure, Hirshfeld surface analysis, MEP study and molecular docking of <i>N</i>-{3-[(4-methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide as a promising inhibitor of hfXa","Acta Crystallographica Section E","2020","76","11","1762","1767","10.1107/S2056989020013730","","","1.54184","CuKα","","0.0508","0.0472","","","0.1213","0.1257","","","","","","1.062","","","","has coordinates,has Fobs","258590","2020-10-24","04:10:31",""
"2243643","7.1046","0.0004","9.1467","0.0004","9.3833","0.0004","100.182","0.002","98.729","0.002","97.444","0.002","585.49","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","Bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","1","0.5","HB7948","Setifi, Zouaoui; Ferjani, Hela; Setifi, Fatima; Ezzine, Safa; Al-Douh, Mohammed Hadi","Synthesis, crystal structure and Hirshfeld surface analysis of bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)","Acta Crystallographica Section E","2020","76","11","1794","1798","10.1107/S205698902001419X","","","0.71073","MoKα","","0.0769","0.0475","","","0.1124","0.1342","","","","","","1.074","","","","has coordinates,has Fobs","258662","2020-10-31","05:25:02",""
"2243644","7.401","0.001","7.888","0.001","15.41","0.003","100.28","0.02","94.4","0.01","94.14","0.01","879.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-chlorobenzoate","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C36 H42 Cl2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0971","0.0529","","","0.1115","0.1305","","","","","","1.013","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:43",""
"2243645","7.4313","0.0005","7.9163","0.0005","15.5212","0.0009","101.565","0.005","94.78","0.005","92.691","0.005","889.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-bromobenzoate","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C36 H42 Br2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0559","0.043","","","0.1087","0.1151","","","","","","1.052","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:46",""
"2243646","7.1129","0.0004","11.2722","0.0007","12.5923","0.0008","69.852","0.005","74.681","0.005","79.121","0.005","908.82","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-iodobenzoate","","- C18 H21 I N2 O3 -","- C18 H21 I N2 O3 -","- C36 H42 I2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0347","0.0256","","","0.0609","0.0647","","","","","","1.02","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:49",""
"2243647","19.94","0.001","10.2705","0.0007","9.0148","0.0007","90","","109.663","0.008","90","","1738.5","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(2-Methoxyphenyl)piperazin-1-ium 2-fluorobenzoate","","- C18 H21 F N2 O3 -","- C18 H21 F N2 O3 -","- C72 H84 F4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0477","0.0364","","","0.0925","0.0996","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243648","7.9974","0.0008","27.611","0.002","8.5972","0.0009","90","","106.4","0.01","90","","1821.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 2-chlorobenzoate","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C72 H84 Cl4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.1082","0.067","","","0.1885","0.2161","","","","","","1.031","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243649","6.9824","0.0002","13.2292","0.0004","19.4903","0.0007","90","","90","","90","","1800.35","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-bromobenzoate","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0626","0.0351","","","0.0723","0.0774","","","","","","0.939","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243650","7.0101","0.0004","13.3796","0.0006","19.5524","0.0006","90","","90","","90","","1833.87","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-iodobenzoate","","- C18 H21 I N2 O3 -","- C18 H21 I N2 O3 -","- C72 H84 I4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.046","0.0319","","","0.0656","0.0705","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243651","7.826","0.001","10.32","0.002","12.055","0.003","78.37","0.02","78.27","0.02","73.83","0.02","904.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 2-methylbenzoate","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0674","0.0418","","","0.1082","0.1193","","","","","","1.062","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243652","14.922","0.001","7.6951","0.0005","15.56","0.001","90","","106.911","0.008","90","","1709.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 4-aminobenzoate","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0591","0.0389","","","0.1037","0.112","","","","","","1.096","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243653","7.5174","0.0005","7.9761","0.0005","29.86","0.002","90","","97.322","0.006","90","","1775.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 4-nitrobenzoate","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0602","0.0404","","","0.1025","0.1112","","","","","","1.031","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243654","7.8448","0.0006","11.4635","0.0009","12.0747","0.0009","94.406","0.007","105.075","0.008","93.717","0.007","1041.33","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 3,5-dinitrobenzoate dihydrate","","- C18 H24 N4 O9 -","- C18 H24 N4 O9 -","- C36 H48 N8 O18 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.052","0.0388","","","0.1024","0.1081","","","","","","1.064","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243655","9.4151","0.0005","9.8721","0.0005","10.9572","0.0005","77.524","0.004","81.36","0.005","81.002","0.005","974.97","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C17 H19 N5 O8 -","- C17 H19 N4.999 O7.998 -","- C34 H38 N9.998 O15.996 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0541","0.0404","","","0.1116","0.1187","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:51",""
"2243656","11.1076","0.0006","11.1164","0.0006","13.7649","0.0007","80.353","0.005","78.353","0.005","74.406","0.005","1591.76","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen maleate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","2","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0746","0.0416","","","0.1095","0.1209","","","","","","1.026","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243657","7.8546","0.0004","8.9626","0.0006","11.2056","0.0008","79.043","0.005","87.715","0.005","85.84","0.005","772.15","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen fumarate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C30 H40 N4 O10 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0464","0.0356","","","0.0977","0.1045","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:52",""
"2243658","7.479","0.001","7.065","0.001","17.788","0.003","90","","101.58","0.02","90","","920.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 1.698-hydrate","","- C15 H25.4 N2 O8.7 -","- C15 H25.396 N2 O8.698 -","- C30 H50.792 N4 O17.396 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0664","0.0393","","","0.0732","0.081","","","","","","0.967","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:52",""
"2243659","14.273","0.0013","12.7102","0.0012","3.7154","0.0003","90","","90","","90","","674.02","0.1","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","CT2491C; 3-chloro-5-fluorosalicylaldehyde","3-Chloro-5-fluoro-2-hydroxybenzaldehyde","","- C7 H4 Cl F O2 -","- C7 H4 Cl F O2 -","- C28 H16 Cl4 F4 O8 -","4","1","PK2651","Triggs, Christopher T.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde","Acta Crystallographica Section E","2020","76","12","1810","1812","10.1107/S2056989020014425","","","0.71073","MoKα","","0.0243","0.0231","","","0.0652","0.066","","","","","","1.068","","","","has coordinates,has Fobs","258721","2020-11-04","05:14:27",""
"2243660","18.623","0.004","4.8255","0.001","23.195","0.005","90","","112.96","0.03","90","","1919.3","0.8","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(2-(4-Bromobenzoyloxy)acetamide) 4-Bromo-benzoic acid carbamoylmethyl ester","2-Amino-2-oxoethyl 4-bromobenzoate","","- C9 H8 Br N O3 -","- C9 H8 Br N O3 -","- C72 H64 Br8 N8 O24 -","8","2","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.0586","0.0493","","","0.1297","0.1384","","","","","","1.061","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:32",""
"2243661","7.1238","0.0014","7.3683","0.0015","10.063","0.002","107.82","0.03","94.95","0.03","96.32","0.03","495.8","0.2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","2-(4-Bitrobenzoyloxy)acetamide 4-Nitro-benzoic acid carbamoylmethyl ester","2-Amino-2-oxoethyl 4-nitrobenzoate","","- C9 H8 N2 O5 -","- C9 H8 N2 O5 -","- C18 H16 N4 O10 -","2","1","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.0562","0.0496","","","0.1389","0.1475","","","","","","1.064","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:32",""
"2243662","8.2431","0.0016","4.8088","0.001","26.754","0.005","90","","90.1","0.03","90","","1060.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-Aminobenzoyloxy)acetamide monohydrate 4-Aminobenzoic acid carbamoylmethyl ester monohydrate","2-Amino-2-oxoethyl 4-aminobenzoate monohydrate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.1105","0.053","","","0.1149","0.1496","","","","","","0.994","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:33",""
"2243663","9.3953","0.0005","11.7817","0.0006","9.8243","0.0005","90","","106.547","0.004","90","","1042.44","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","Bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","","- C12 H16 Cl6 N4 Sn -","- C12 H16.048 Cl6 N4 Sn -","- C24 H32.096 Cl12 N8 Sn2 -","2","0.5","VM2239","Ferjani, Hela","Crystal structure, optical property and Hirshfeld surface analysis of bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","Acta Crystallographica Section E","2020","76","10","1624","1628","10.1107/S2056989020012177","","","0.71073","MoKα","","0.057","0.0388","","","0.0789","0.0857","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","259016","2020-11-06","23:24:38",""
"2243664","7.97","0.0014","7.97","0.0014","3.2034","0.0004","90","","90","","120","","176.22","0.05","293","2","293","2","","","","","","","","2","P -6","P -6","174","Cobalt phosphide","Dodecacobalt heptaphosphide","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","WM5583","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.29521","synchrotron","","0.0377","0.0369","","","0.0951","0.0957","","","","","","1.124","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:30",""
"2243665","8.253","0.005","8.253","0.005","3.2902","0.0018","90","","90","","120","","194.1","0.2","293","2","293","2","","","","","","","","2","P -6","P -6","174","","","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.3344","synchrotron","","0.0835","0.0533","","","0.0955","0.105","","","","","","1.111","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:32",""
"2243666","8.0547","0.0006","18.7875","0.0014","8.966","0.0007","90","","102.53","0.006","90","","1324.49","0.18","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","I","<i>trans</i>-4,8-Dimethyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","0.71073","MoKα","","0.1009","0.0845","","","0.216","0.2303","","","","","","1.094","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:06",""
"2243667","15.3128","0.0003","5.55594","0.00011","20.5689","0.0004","90","","95.7658","0.0018","90","","1741.09","0.06","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","II","<i>cis</i>-4-(4-Bromophenyl)-13-methyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","1.54184","CuKα","","0.0273","0.0268","","","0.0614","0.0616","","","","","","1.101","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:07",""
"2243668","11.2952","0.0008","20.9595","0.0015","6.684","0.0005","90","","90","","90","","1582.4","0.2","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","III","<i>trans</i>-11-Methyl-4-phenyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","0.71073","MoKα","","0.0545","0.0499","","","0.1228","0.1276","","","","","","1.149","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:07",""
"2243669","13.5644","0.0005","20.3405","0.0007","17.4818","0.0008","90","","94.858","0.004","90","","4806","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl (<i>RS</i>)-2-[(4-bromophenyl)(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methyl]propanedioate","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C192 H200 Br8 N16 O40 -","8","2","ZL2798","Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions","Acta Crystallographica Section E","2020","76","10","1605","1610","10.1107/S2056989020011676","","","0.71073","MoKα","","0.1229","0.0648","","","0.1363","0.1643","","","","","","1.025","","","","has coordinates,has Fobs","259019","2020-11-06","23:29:25",""
"2243670","13.5609","0.0008","20.28","0.001","17.728","0.001","90","","95.363","0.005","90","","4854.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl (<i>RS</i>)-2-[(4-chlorophenyl)(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methyl]propanedioate","","- C24 H25 Cl N2 O5 -","- C24 H25 Cl N2 O5 -","- C192 H200 Cl8 N16 O40 -","8","2","ZL2798","Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions","Acta Crystallographica Section E","2020","76","10","1605","1610","10.1107/S2056989020011676","","","0.71073","MoKα","","0.0999","0.0669","","","0.1695","0.1916","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","259019","2020-11-06","23:29:26",""
"2243671","7.7574","0.001","8.4763","0.001","14.3322","0.0019","90","","97.526","0.012","90","","934.3","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethoxybenzic acid.","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","IS5548","Portalone, Gustavo","Crystal structure and Hirshfeld surface analysis of a third polymorph of 2,6-dimethoxybenzoic acid","Acta Crystallographica Section E","2020","76","12","1823","1826","10.1107/S2056989020014553","","","0.710689","MoKα","","0.1073","0.0486","","","0.1041","0.1317","","","","","","1.02","","","","has coordinates,has Fobs","259029","2020-11-07","05:17:26",""
"2243672","17.8114","0.0013","8.9398","0.0006","18.0245","0.0014","90","","100.524","0.003","90","","2821.8","0.4","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(<i>SP</i>-4-2)-<i>cis</i>-Bis[8-(dimethylphosphanyl)quinoline-κ^2^<i>N</i>,<i>P</i>]nickel(II) bis(perchlorate) nitromethane monosolvate","","- C23 H27 Cl2 N3 Ni O10 P2 -","- C23 H27 Cl2 N3 Ni O10 P2 -","- C92 H108 Cl8 N12 Ni4 O40 P8 -","4","1","PK2650","Mori, Masatoshi; Suzuki, Takayoshi","Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations","Acta Crystallographica Section E","2020","76","12","1813","1817","10.1107/S2056989020014437","","","0.71075","MoKα","","0.051","0.0429","","","0.1119","0.1169","","","","","","1.047","","","","has coordinates,has Fobs","259030","2020-11-07","05:18:06",""
"2243673","7.9102","0.0003","21.0833","0.0005","16.7519","0.0004","90","","95.3931","0.0011","90","","2781.4","0.14","188","2","188","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>SP</i>-4-2)-<i>cis</i>-Bis[8-(dimethylphosphanyl)quinoline-κ^2^<i>N</i>,<i>P</i>]platinum(II) bis(tetrafluoroborate) acetonitrile monosolvate","","- C24 H27 B2 F8 N3 P2 Pt -","- C24 H27 B2 F8 N3 P2 Pt -","- C96 H108 B8 F32 N12 P8 Pt4 -","4","1","PK2650","Mori, Masatoshi; Suzuki, Takayoshi","Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations","Acta Crystallographica Section E","2020","76","12","1813","1817","10.1107/S2056989020014437","","","0.71075","MoKα","","0.0404","0.0325","","","0.0778","0.0835","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","259030","2020-11-07","05:18:07",""
"2243674","19.0586","0.0007","13.9627","0.0005","8.1459","0.0003","90","","101.78","0.0011","90","","2122.05","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-dihydro-6,11-epoxydibenzo[<i>b</i>,<i>e</i>]oxepin-6-yl]isoxazole-4-carboxylate","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","HB7949","Weaver, Matthew J.; Campbell, Michael J.; Li, Chun; Natale, Nicholas R.","Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-dihydro-6,11-epoxydibenzo[<i>b</i>,<i>e</i>]oxepin-6-yl]isoxazole-4-carboxylate: a bicyclic acetal from the rearrangement of an anthracenyl isoxazole","Acta Crystallographica Section E","2020","76","12","1818","1822","10.1107/S2056989020014358","","","0.7288","synchrotron","","0.0734","0.0517","","","0.1322","0.1447","","","","","","1.053","","","","has coordinates,has Fobs","259031","2020-11-07","05:18:37",""
"2243675","9.6579","0.0019","11.798","0.002","12.216","0.002","100.95","0.03","109.41","0.03","111.12","0.03","1146.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Di-<i>tert</i>-butyl 2,2'-[(ethylazanediyl)bis(methylene)]bis(1<i>H</i>-pyrrole-1-carboxylate)","","- C22 H33 N3 O4 -","- C22 H33 N3 O4 -","- C44 H66 N6 O8 -","2","1","YZ2002","Kvyatkovskaya, Elizaveta A.; Atioğlu, Zeliha; Akkurt, Mehmet; Epifanova, Polina P.; Valchuk, Karina S.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld analysis of di-<i>tert</i>-butyl 2,2'-[(ethylazanediyl)bis(methylene)]bis(1<i>H</i>-pyrrole-1-carboxylate)","Acta Crystallographica Section E","2020","76","12","1827","1831","10.1107/S2056989020014966","","","0.9699","synchrotron","","0.0885","0.0665","","","0.1586","0.1797","","","","","","1.04","","","","has coordinates,has Fobs","259138","2020-11-14","05:14:22",""
"2243676","15.768","0.005","4.7583","0.0015","17.316","0.006","90","","101.572","0.008","90","","1272.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Furan-2-ylmethylidene)thiazolo[3,4-<i>a</i>]benzimidazole-1-thione","","- C14 H8 N2 O S2 -","- C14 H8 N2 O S2 -","- C56 H32 N8 O4 S8 -","4","1","WM5587","Khaldi, Hafsa; Djafri, Ahmed; Megrouss, Youcef; Khelloul, Nawel; Chouaih, Abdelkader; Djafri, Ayada","Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 3-(furan-2-ylmethylidene)thiazolo[3,4-<i>a</i>]benzimidazole-1-thione","Acta Crystallographica Section E","2020","76","12","1832","1836","10.1107/S2056989020015017","","","0.71073","MoKα","","0.0707","0.0515","","","0.1033","0.1134","","","","","","0.963","","","","has coordinates,has Fobs","259139","2020-11-14","05:14:52",""
"2243677","13.2962","0.001","6.23","0.0004","12.9294","0.0011","90","","97.226","0.006","90","","1062.5","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Potassium 9,9-difluoro-10-oxa-9-boraphenanthren-9-ide","Potassium 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide","","- C12 H8 B F2 K O -","- C12 H8 B F2 K O -","- C48 H32 B4 F8 K4 O4 -","4","1","HB7952","Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael","Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations","Acta Crystallographica Section E","2020","76","12","1837","1840","10.1107/S2056989020015066","","","0.71073","MoKα","","0.0342","0.0303","","","0.0805","0.0826","","","","","","1.057","","","","has coordinates,has Fobs","259160","2020-11-18","05:09:12",""
"2243678","10.3527","0.0004","13.5958","0.0005","23.4352","0.0009","86.218","0.003","78.916","0.003","87.104","0.003","3227.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Bis(tetraphenylphosphonium) bis(9,9-difluoro-10-oxa-9-boraphenanthren-9-ide) acetonitrile trisolvate","Bis(tetraphenylphosphonium) 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide acetonitrile trisolvate","","- C78 H65 B2 F4 N3 O2 P2 -","- C78 H65 B2 F4 N3 O2 P2 -","- C156 H130 B4 F8 N6 O4 P4 -","2","1","HB7952","Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael","Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations","Acta Crystallographica Section E","2020","76","12","1837","1840","10.1107/S2056989020015066","","","0.71073","MoKα","","0.0448","0.0413","","","0.1065","0.1088","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","259160","2020-11-18","05:09:13",""
"2243679","10.7245","0.0003","6.205","0.0003","15.1579","0.0005","90","","103.14","0.003","90","","982.28","0.06","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C12 H24 N6 Ni S4 -","- C12 H24 N6 Ni S4 -","- C24 H48 N12 Ni2 S8 -","2","0.5","TX2033","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2020","76","12","1841","1845","10.1107/S2056989020015121","","","0.71073","MoKα","","0.0497","0.0384","","","0.0929","0.0981","","","","","","1.046","","","","has coordinates,has Fobs","259161","2020-11-18","05:09:43",""
"2243680","9.437","0.0004","9.5675","0.0005","19.1526","0.001","90.331","0.004","99.828","0.004","90.436","0.004","1703.79","0.15","295","1","295","1","","","","","","","","6","P -1","-P 1","2","Sodium diclofenac 3.5-hydrate","Tetra-μ-aqua-κ^8^<i>O</i>:<i>O</i>-decaaquabis{μ~3~-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>}tetrasodium(I) bis{2-[2-(2,6-dichloroanilino)phenyl]acetate}","","- C28 H34 Cl4 N2 Na2 O11 -","- C28 H34 Cl4 N2 Na2 O11 -","- C56 H68 Cl8 N4 Na4 O22 -","2","1","JY2003","Angel Nieto, Ismael; Bernès, Sylvain; Pérez-Benítez, Aarón","Crystal structure of a new hydrate form of the NSAID sodium diclofenac","Acta Crystallographica Section E","2020","76","12","1846","1850","10.1107/S2056989020015108","","x-ray","0.56083","AgKα","","0.0875","0.0414","","","0.0906","0.1027","","","","","","0.844","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2243681","8.9428","0.0004","9.5089","0.0004","12.109","0.0005","100.395","0.001","91.739","0.001","108.97","0.001","953.4","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{2-[2-(2-Acetylethenyl)phenoxy]ethyl}-<i>N</i>-ethenyl-4-methylbenzenesulfonamide","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C42 H46 N2 O8 S2 -","2","1","YK2141","Temesgen, Ayalew W.; Luong, Minh Duc; Truong, Hong Hieu; Nguyen, Van Tuyen; Dang, Thi Tuyet Anh; Le, Tuan Anh; Tskhovrebov, Alexander G.; Khrustalev, Victor N.","Unexpected synthesis and crystal structure of <i>N</i>-{2-[2-(2-acetylethenyl)phenoxy]ethyl}-<i>N</i>-ethenyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","12","1851","1853","10.1107/S2056989020015194","","","0.71073","MoKα","","0.0476","0.0409","","","0.1078","0.1136","","","","","","1.029","","","","has coordinates,has Fobs","259213","2020-11-21","05:22:56",""
"2243682","6.5782","0.0004","9.5213","0.0005","10.4848","0.0006","63.696","0.004","84.656","0.005","76.146","0.004","571.51","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Thulium nitrate","","- H10 N3 O14 Tm -","- H10 N3 O14 Tm -","- H20 N6 O28 Tm2 -","2","1","WM5589","Klein, Wilhelm","Crystal structures of the penta- and hexahydrate of thulium nitrate","Acta Crystallographica Section E","2020","76","12","1863","1867","10.1107/S2056989020015388","","","0.71073","MoKα","","0.0236","0.0171","","","0.0285","0.0289","","","","","","0.647","","","","has coordinates,has Fobs","259243","2020-11-25","05:21:02",""
"2243683","6.705","0.0003","8.9733","0.0004","11.4915","0.0006","70.924","0.004","88.908","0.004","68.923","0.004","605.9","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Thulium nitrate","","- H12 N3 O15 Tm -","- H12 N3 O15 Tm -","- H24 N6 O30 Tm2 -","2","1","WM5589","Klein, Wilhelm","Crystal structures of the penta- and hexahydrate of thulium nitrate","Acta Crystallographica Section E","2020","76","12","1863","1867","10.1107/S2056989020015388","","","0.71073","MoKα","","0.0201","0.0162","","","0.0342","0.0345","","","","","","0.913","","","","has coordinates,has Fobs","259243","2020-11-25","05:21:03",""
"2243684","7.4591","0.0007","5.5045","0.0006","11.7803","0.0012","90","","99.638","0.005","90","","476.86","0.08","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","<i>trans</i>-1,2-Bis(pyridin-3-yl)ethylene","<i>trans</i>-1,2-Bis(pyridin-3-yl)ethene","","- C12 H10 N2 -","- C12 H10 N2 -","- C24 H20 N4 -","2","0.5","DJ2017","Quentin, Jay; Reinheimer, Eric W.; MacGillivray, Leonard R.","X-ray crystal structure of <i>trans</i>-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(<i>n</i>-pyridyl)ethylenes (<i>n</i> = 2, 3, or 4) constitutional isomers","Acta Crystallographica Section E","2020","76","12","1859","1862","10.1107/S2056989020015303","","","0.71073","MoKα","","0.0787","0.0495","","","0.1251","0.1366","","","","","","1.068","","","","has coordinates,has Fobs","259244","2020-11-25","05:21:32",""
"2243685","20.76","0.004","9.5527","0.0019","12.045","0.002","90","","91.929","0.004","90","","2387.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine carboacetaminophenborane‒acetaminophen (1/1)","Hexamethylenetetramine 4-acetamidophenyl 2-boranylacetate‒4-acetamidophenol (1/1)","","- C23 H31 B N6 O5 -","- C23 H31 B N6 O5 -","- C92 H124 B4 N24 O20 -","4","1","HB7947","Ayudhya, Theppawut; Raymond, Casey; Dingra, Nin","Synthesis and structure of a 1:1 co-crystal of hexamethylenetetramine carboxyborane and acetaminophen","Acta Crystallographica Section E","2020","76","12","1854","1858","10.1107/S2056989020015327","","","0.71073","MoKα","","0.0864","0.0413","","","0.0656","0.072","","","","","","1.077","","","","has coordinates,has Fobs","259245","2020-11-25","05:22:03",""
"2243686","5.0826","0.0001","18.1273","0.0007","7.9875","0.0002","90","","90","","90","","735.92","0.04","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium terbium bis(molybdate)","","- K Mo2 O8 Tb -","- K Mo2 O8 Tb -","- K4 Mo8 O32 Tb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0354","0.033","","","0.1","0.1022","","","1.083","","","1.083","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:21",""
"2243687","5.0776","0.0002","18.1214","0.0007","7.9428","0.0003","90","","90","","90","","730.84","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium dysprosium bis(molybdate)","","- Dy K Mo2 O8 -","- Dy K Mo2 O8 -","- Dy4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0395","0.0325","","","0.0849","0.0882","","","1.096","","","1.096","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243688","5.077","0.0015","18.161","0.005","7.934","0.002","90","","90","","90","","731.5","0.3","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium holmium bis(molybdate)","","- Ho K Mo2 O8 -","- Ho K Mo2 O8 -","- Ho4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0316","0.0266","","0.0611","","0.0625","","","1.254","","","1.254","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243689","5.0602","0.0002","18.1965","0.0008","7.892","0.0003","90","","90","","90","","726.68","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium erbium bis(molybdate)","","- Er K Mo2 O8 -","- Er K Mo2 O8 -","- Er4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.03","0.0265","","0.0709","","0.0727","","","1.061","","","1.061","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243690","5.0417","0.0005","18.3039","0.0019","7.8693","0.0008","90","","90","","90","","726.2","0.13","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium ytterbium bis(molybdate)","","- K Mo2 O8 Yb -","- K Mo2 O8 Yb -","- K4 Mo8 O32 Yb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0267","0.0224","","0.0609","","0.0632","","","1.108","","","1.108","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243691","5.0292","0.0002","18.2519","0.001","7.8174","0.0004","90","","90","","90","","717.58","0.06","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium lutetium bis(molybdate)","","- K Lu Mo2 O8 -","- K Lu Mo2 O8 -","- K4 Lu4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0333","0.0273","","0.0733","","0.0769","","","1.17","","","1.17","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2300663","6.7705","0.0006","6.7705","0.0006","4.7044","0.0002","90","","90","","120","","186.76","0.02","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe4 Mn Si3 -","- Fe4 Mn Si3 -","- Fe8 Mn2 Si6 -","2","0.0833333","","Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen","Combined X-ray and neutron single-crystal diffraction in diamond anvil cells","Journal of Applied Crystallography","2020","53","1","9","14","10.1107/S1600576719014201","","neutron","1.17","neutron","","0.1466","0.0944","","","0.0692","0.0718","","","","7.54","7.54","3.7","","","","has coordinates,has Fobs","247891","2020-10-21","18:00:00",""
"2300664","6.7705","0.0006","6.7705","0.0006","4.7044","0.0002","90","","90","","120","","186.76","0.02","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe4 Mn Si3 -","- Fe4 Mn Si3 -","- Fe8 Mn2 Si6 -","2","0.0833333","","Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen","Combined X-ray and neutron single-crystal diffraction in diamond anvil cells","Journal of Applied Crystallography","2020","53","1","9","14","10.1107/S1600576719014201","","x-ray","0.494","synchrotron","","0.0622","0.0619","","","0.0758","0.0758","","","","0","0","6.02","","","","has coordinates,has Fobs","247891","2020-10-21","18:00:00",""
"2300665","5.1505","0.0001","5.1505","0.0001","13.8742","0.0005","90","","90","","120","","318.741","0.014","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0182","0.0163","","","0.0204","0.0207","","","","1.62","1.62","1.54","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300666","5.1513","0.0001","5.1513","0.0001","13.8687","0.0006","90","","90","","120","","318.713","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0294","0.0287","","","0.0382","0.0383","","","","3.18","3.18","3.09","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300667","5.1516","0.0001","5.1516","0.0001","13.869","0.0006","90","","90","","120","","318.757","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0163","0.0152","","","0.0207","0.0209","","","","1.69","1.69","1.65","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300668","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.2612","0.1992","","","0.5092","0.5465","","","","","","1.583","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300669","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.1997","0.1758","","","0.4746","0.4914","","","","","","1.609","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300670","26.7958","0.0018","7.1586","0.0005","14.1598","0.0011","90","","90","","90","","2716.1","0.3","20","2","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob","Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector","Journal of Applied Crystallography","2020","53","3","635","","10.1107/S1600576720003775","","","","","","0.038","0.038","","","","0.025","","","","","","1.029","","","","has coordinates,has Fobs","256219","2020-10-21","18:00:00",""
"2300671","10.6656","0.0003","12.4599","0.0004","14.7567","0.0005","98.635","0.003","101.65","0.003","97.962","0.003","1869.79","0.11","150.2","0.2","150.2","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H29 Cl Cu N6 O14 -","- C40 H29 Cl Cu N6 O14 -","- C80 H58 Cl2 Cu2 N12 O28 -","2","1","","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","On the Hirshfeld surface for copper(II) atoms in different coordination environments","Journal of Applied Crystallography","2020","53","5","1321","1333","10.1107/S1600576720011413","","","0.71073","MoKα","","0.0781","0.062","","","0.1378","0.1462","","","","","","1.05","","","","has coordinates,has Fobs","258186","2020-10-21","18:00:00",""
"2300672","7.0195","0.0001","7.0195","0.0001","7.0195","0.0001","90","","90","","90","","345.874","0.009","297","","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- C6 D12 N4 -","- C6 D12 N4 -","- C12 D24 N8 -","2","0.0416667","","McMonagle, Charles J.; Allan, David R.; Warren, Mark R.; Kamenev, Konstantin V.; Turner, Gemma F.; Moggach, Stephen A.","High-pressure sapphire capillary cell for synchrotron single-crystal X-ray diffraction measurements to 1500 bar","Journal of Applied Crystallography","2020","53","6","1519","1523","10.1107/S1600576720013710","","","0.71073","MoKα","","0.0311","0.0307","","","0.0922","0.0925","","","","","","1.325","","","","has coordinates,has Fobs","259638","2020-12-07","01:49:49",""
"2311101","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0253","0.0233","","","0.0622","0.0633","","","","","","1.144","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311102","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.082","0.082","","","","","","2.291","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311103","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0311","0.0291","","","0.0786","0.0795","","","","","","1.435","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311104","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.018","0.018","","","","0.038","","","","","","1.146","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311105","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.021","0.021","","","","0.048","","","","","","1.442","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311106","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.022","0.022","","","","0.049","","","","","","1.476","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"3000200","9.2588","0.0018","9.5065","0.0019","12.181","0.002","70.416","0.002","80.694","0.002","61.22","0.002","885.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cl4 Cu2 N16 O2 -","- C28 H36 Cl4 Cu2 N16 O2 -","- C28 H36 Cl4 Cu2 N16 O2 -","1","0.5","","José Manuel Méndez-Arriaga; Itziar Oyarzabal; Álvaro Martín-Montes; Judith García-Rodríguez; Miguel Quirós; Manuel Sánchez-Moreno","First Example of Antiparasitic Activity Influenced by Thermochromism: Leishmanicidal Evaluation of 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine Metal Complexes.","Medicinal chemistry (Shariqah (United Arab Emirates))","2020","16","3","422","430","10.2174/1573406415666190401120607","","","0.71073","MoKα","","0.0286","0.0268","","","0.0691","0.0703","","","","","","1.095","","","","has coordinates","252433","2020-10-21","18:00:00",""
"3000220","14.3058","0.0009","7.1686","0.0004","30.771","0.002","90","","90","","90","","3155.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N5 O -","- C6 H9 N5 O -","- C96 H144 N80 O16 -","16","2","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0603","0.0453","","","0.1031","0.1099","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","274292","2022-04-04","05:56:25",""
"3000221","14.9427","0.0006","7.5063","0.0003","15.7715","0.0006","90","","107.883","0.0013","90","","1683.53","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl2 N10 Zn -","- C12 H14 Cl2 N10 Zn -","- C48 H56 Cl8 N40 Zn4 -","4","1","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0396","0.0302","","","0.0715","0.0778","","","","","","1.11","","","","has coordinates,has Fobs","274293","2022-04-04","05:59:39",""
"3000222","7.1837","0.0005","11.4156","0.0009","12.8451","0.001","80.763","0.003","82.269","0.003","77.782","0.003","1010.63","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 N22 O16 Zn -","- C24 H48 N22 O16 Zn -","- C24 H48 N22 O16 Zn -","1","0.5","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0462","0.0363","","","0.0919","0.0988","","","","","","0.924","","","","has coordinates,has Fobs","274294","2022-04-04","06:01:49",""
"3000223","8.0644","0.0006","11.9048","0.001","12.3145","0.001","71.664","0.003","74.549","0.003","76.161","0.003","1065.96","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H25 N10 O9.5 S Zn -","- C12 H20 N10 O9.5 S Zn -","- C24 H40 N20 O19 S2 Zn2 -","2","1","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71073","MoKα","","0.0467","0.039","","","0.0962","0.1021","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","274295","2022-04-04","06:03:53",""
"3000243","3.0778","0.0006","5.335","0.0014","15.1219","0.0006","90","","90","","90","","248.3","0.08","291.66","","291.66","","","","","","","","","2","C m c 21","C 2c -2","36","","","Moissanite 6O SiC","- C Si -","- C Si -","- C12 Si12 -","12","1.5","","El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia","Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype","Scientific Reports","2020","10","1","7562","","10.1038/s41598-020-64415-4","","x-ray","1.54184","CuKα","","0.0452","0.0329","","","0.0438","0.0442","","","","3.81","3.81","3","","","","has coordinates","251946","2020-10-21","18:00:00",""
"3000254","28.5403","0.0018","16.3831","0.0012","28.2358","0.0019","90","","101.817","0.003","90","","12922.7","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 Dy N15 O12 -","- C21 H30 Dy N15 O12 -","- C336 H480 Dy16 N240 O192 -","16","2","","Esteban-Parra, Ginés M.; Moscoso, Inmaculada; Cepeda, Javier; García, Jose A.; Sánchez-Moreno, Manuel; Rodríguez-Diéguez, Antonio; Quirós, Miguel","Lanthanide(III) Based Complexes Containing 5,7-Dimethyl-1,2,4-triazolo[1,5-a ]pyrimidine as Long-Lived Photoluminescent Antiparasitic Agents","European Journal of Inorganic Chemistry","2020","2020","3","308","","10.1002/ejic.201901119","","","0.71073","MoKα","","0.0814","0.0377","","","0.0581","0.067","","","","","","1.01","","","","has coordinates,has Fobs","247119","2020-10-21","18:00:00",""
"3000255","16.4089","0.0012","16.4089","0.0012","19.4155","0.0014","90","","90","","120","","4527.3","0.6","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C63 H90 La2 N42 O27 -","- C63 H90 La2 N42 O27 -","- C126 H180 La4 N84 O54 -","2","0.166667","","Esteban-Parra, Ginés M.; Moscoso, Inmaculada; Cepeda, Javier; García, Jose A.; Sánchez-Moreno, Manuel; Rodríguez-Diéguez, Antonio; Quirós, Miguel","Lanthanide(III) Based Complexes Containing 5,7-Dimethyl-1,2,4-triazolo[1,5-a ]pyrimidine as Long-Lived Photoluminescent Antiparasitic Agents","European Journal of Inorganic Chemistry","2020","2020","3","308","","10.1002/ejic.201901119","","","0.71073","MoKα","","0.0297","0.0278","","","0.0747","0.076","","","","","","1.095","","","","has coordinates,has Fobs","247120","2020-10-21","18:00:00",""
"3000276","9.2727","0.0002","5.27291","0.00011","21.9357","0.0005","90","","97.8775","0.001","90","","1062.41","0.04","","","298","","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","Ca(Fe3+0.4Si0.6)O2.8","","Ca Fe oxygen-deficient silicate perovskite","- Ca Fe0.4 O2.8 Si0.6 -","- Ca Fe0.4 O2.8 Si0.6 -","- Ca20 Fe8 O56 Si12 -","20","2.5","","Kanzaki, M.","Crystal structure of Ca(Fe0.4Si0.6)O2.8 oxygen-deficient perovskite","Journal of the Ceramic Society of Japan","2020","128","","843","846","10.2109/jcersj2.20138","","","","","","","","","","","","","","","","","","","","","has coordinates","256976","2020-10-21","18:00:00",""
"3000281","13.902","0.0003","13.902","0.0003","11.2802","0.0002","90","","90","","120","","1888","0.07","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C17 H68 O68 Si34 -","- C20.44 O68 Si34 -","- C20.44 O68 Si34 -","1","0.0416667","","Koichi Momma; Takuji Ikeda; Toshiro Nagase; Takahiro Kuribayashi; Chibune Honma; Katsumi Nishikubo; Naoki Takahashi; Masayuki Takada; Yoshitaka Matsushita; Ritsuro Miyawaki; Satoshi Matsubara","Bosoite, a new silica clathrate mineral from Chiba Prefecture, Japan","Mineralogical Magazine","2020","84","","941","","","","","1.54187","CuKα","","0.0435","0.0426","","","0.12","0.1208","","","","","","1.168","","","","has coordinates","262244","2021-02-26","00:50:05",""
"3500088","8.6614","0.0002","9.6467","0.0002","23.5332","0.0005","90","","90","","90","","1966.29","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate","","- C21 H37 B O -","- C21 H37 B O -","- C84 H148 B4 O4 -","4","1","","Thierry Maris","methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0389","0.0381","","","0.0986","0.0995","","","","","","1.075","","","","has coordinates,has Fobs","246658","2020-10-21","18:00:00",""
"3500089","6.2275","0.0002","7.2083","0.0002","16.8213","0.0005","90","","90","","90","","755.1","0.04","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-iodo-4-methoxybenzene","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Thierry Maris","1-iodo-4-methoxybenzene","Personal communication to COD","2020","","","","","","","x-ray","1.54178","CuKα","","0.0282","0.0278","","","0.0641","0.0644","","","","","","1.092","","","","has coordinates,has Fobs","246665","2020-10-21","18:00:00",""
"3500090","8.3595","0.0002","21.821","0.0006","10.8558","0.0003","90","","92.71","0.002","90","","1978.02","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-(ethoxycarbonyl)phenyl)boronic acid","","- C9 H11 B O4 -","- C9 H11 B O4 -","- C72 H88 B8 O32 -","8","2","","Thierry Maris","(4-(ethoxycarbonyl)phenyl)boronic acid","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0639","0.0524","","","0.1277","0.1383","","","","","","1.052","","","","has coordinates,has Fobs","246667","2020-10-21","18:00:00",""
"3500091","16.9583","0.0006","6.7846","0.0002","20.6053","0.0007","90","","90","","90","","2370.75","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","'benzoic acid 3,5-dicarboxylate ethylenediammonium'","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C88 H112 N16 O48 -","8","1","","Thierry Maris","benzoic acid 3,5-dicarboxylate ethylenediammonium","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0472","0.0408","","","0.0927","0.0965","","","","","","1.096","","","","has coordinates,has Fobs","246676","2020-10-21","18:00:00",""
"3500092","9.7597","0.0003","16.5287","0.0004","13.0405","0.0003","90","","97.776","0.001","90","","2084.29","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzoic acid 3,5-dicarboxylate N-N'-bis(2-Ammonioethyl)oxamide dimethylsulfoxide'","","","- C17 H26 N4 O9 S -","- C17 H26 N4 O9 S -","- C68 H104 N16 O36 S4 -","4","1","","Thierry Maris","benzoic acid 3,5-dicarboxylate N-N'-bis(2-Ammonioethyl)oxamide dimethylsulfoxide'","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.038","0.0373","","","0.0954","0.0961","","","","","","1.086","","","","has coordinates,has Fobs","246677","2020-10-21","18:00:00",""
"3500093","11.5313","0.0009","13.1325","0.001","14.2336","0.0011","82.52","0.004","67.38","0.003","80.662","0.003","1957.8","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","tributylbenzylammonium bromide","N-benzyl-N,N-dibutylbutan-1-aminium bromide","","- C19 H34 Br N -","- C19 H34 Br N -","- C76 H136 Br4 N4 -","4","2","","Thierry Maris","Tributylbenzylammonium bromide","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0579","0.0533","","","0.137","0.1414","","","","","","1.077","","","","has coordinates,has Fobs","247089","2020-10-21","18:00:00",""
"3500094","12.1064","0.0006","7.0963","0.0003","11.6561","0.0005","90","","109.926","0.002","90","","941.43","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3,4-trimethoxybenzaldehyde","Benzaldehyde, 2,3,4-trimethoxy-","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Thierry Maris","2,3,4-trimethoxybenzaldehyde","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0342","0.0323","","","0.0904","0.092","","","","","","1.044","","","","has coordinates,has Fobs","247090","2020-10-21","18:00:00",""
"3500095","9.1629","0.0002","9.1629","0.0002","50.2545","0.0012","90","","90","","90","","4219.3","0.16","150","","150.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","desonide","Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione","","- C24 H32 O6 -","- C24 H32 O6 -","- C192 H256 O48 -","8","1","","Thierry Maris","Desonide","Personal communication to COD","2020","","","","","","","","1.34139","GaKα","","0.0462","0.038","","","0.0717","0.0754","","","","","","1.125","","","","has coordinates,has Fobs","247091","2020-10-21","18:00:00",""
"3500096","8.1432","0.0002","7.6307","0.0002","12.1977","0.0003","90","","104.147","0.001","90","","734.96","0.03","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3(nitrophenyl)boronic acid","","","- C6 H6 B N O4 -","- C6 H6 B N O4 -","- C24 H24 B4 N4 O16 -","4","1","","Thierry Maris","3(nitrophenyl)boronic acid","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0441","0.0432","","","0.1043","0.1053","","","","","","1.127","","","","has coordinates,has Fobs","247092","2020-10-21","18:00:00",""
"3500097","11.6577","0.0004","13.1592","0.0004","11.534","0.0004","90","","109.098","0.001","90","","1672","0.1","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ethyl p-hydroxybenzoate","Benzoic acid, 4-hydroxy-, ethyl ester","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Thierry Maris","Ethyl p-hydroxybenzoate","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0413","0.0375","","","0.1068","0.1109","","","","","","1.052","","","","has coordinates,has Fobs","247189","2020-10-21","18:00:00",""
"3500098","6.5747","0.0002","7.4299","0.0003","6.7388","0.0002","90","","93.33","0.001","90","","328.63","0.019","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","b-D-Glucurono-1,4-lactone","","","- C6 H8 O6 -","- C6 H8 O6 -","- C12 H16 O12 -","2","1","","Thierry Maris","beta-D-Glucurono-1,4-lactone","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0369","0.0369","","","0.0847","0.0847","","","","","","1.183","","","","has coordinates,has Fobs","247190","2020-10-21","18:00:00",""
"3500099","9.2166","0.0007","9.386","0.0008","40.8259","0.0005","84.677","0.005","86.411","0.004","89.304","0.004","3509.5","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","tetraoctadecylammonium bromide","tetraoctadecylazanium bromide","","- C72 H148 Br N -","- C72 H148 Br N -","- C144 H296 Br2 N2 -","2","1","","Thierry Maris","tetraoctadecylammonium bromide","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.1057","0.0834","","","0.2288","0.2443","","","","","","1.125","","","","has coordinates","247191","2020-10-21","18:00:00",""
"3500100","5.6352","0.0002","7.1096","0.0003","24.7718","0.0009","90","","90","","90","","992.46","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C32 H48 N16 O16 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0312","0.0296","","","0.0734","0.0751","","","","","","1.099","","","","has coordinates,has Fobs","251898","2020-10-21","18:00:00",""
"3500101","12.9744","0.0012","5.1182","0.0005","12.7942","0.0013","90","","90","","90","","849.61","0.14","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","1,2,3-trimethoxybenzene","1,2,3-trimethoxybenzene","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0348","0.0318","","","0.0745","0.0765","","","","","","1.051","","","","has coordinates,has Fobs","251901","2020-10-21","18:00:00",""
"3500102","30.333","0.003","4.6431","0.0005","14.0351","0.0014","90","","98.309","0.006","90","","1955.9","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 Br O3 -","- C9 H11 Br O3 -","- C72 H88 Br8 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.044","0.0398","","","0.1007","0.104","","","","","","1.073","","","","has coordinates,has Fobs","251903","2020-10-21","18:00:00",""
"3500103","11.9181","0.0003","13.3547","0.0004","5.1261","0.0002","90","","90","","90","","815.88","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","1-bromo-3,5-dimethoxybenzene","1-bromo-3,5-dimethoxybenzene","","- C8 H9 Br O2 -","- C8 H9 Br O2 -","- C32 H36 Br4 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0192","0.0191","","","0.0498","0.0499","","","","","","1.175","","","","has coordinates,has Fobs","251904","2020-10-21","18:00:00",""
"3500104","12.0723","0.0006","13.3794","0.0007","4.8987","0.0002","90","","90","","90","","791.24","0.07","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","1-chloro-3,5-dimethoxybenzene","1-chloro-3,5-dimethoxybenzene","","- C8 H9 Cl O2 -","- C8 H9 Cl O2 -","- C32 H36 Cl4 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0264","0.0251","","","0.0656","0.0667","","","","","","1.065","","","","has coordinates,has Fobs","251905","2020-10-21","18:00:00",""
"3500105","13.5504","0.0004","7.5443","0.0002","14.8005","0.0005","90","","90","","90","","1513.03","0.08","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-dimethoxyphenol","3,5-dimethoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0347","0.0338","","","0.0929","0.0941","","","","","","1.067","","","","has coordinates,has Fobs","251906","2020-10-21","18:00:00",""
"3500106","13.214","0.0006","6.5266","0.0003","8.6159","0.0004","90","","90","","90","","743.06","0.06","105","","105","","","","","","","","","5","P n m a","-P 2ac 2n","62","4-chloro-2,6-dimethoxypyrimidine","4-chloro-2,6-dimethoxypyrimidine","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C24 H28 Cl4 N8 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0268","0.0262","","","0.0713","0.072","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","251907","2020-10-21","18:00:00",""
"3500107","9.711","0.0003","7.2904","0.0002","14.8127","0.0005","90","","94.2","0.002","90","","1045.88","0.06","105","","105","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-(3,4,5-trimethoxyphenyl)ethan-1-one","1-(3,4,5-trimethoxyphenyl)ethan-1-one","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0436","0.0356","","","0.0895","0.0948","","","","","","1.043","","","","has coordinates,has Fobs","251908","2020-10-21","18:00:00",""
"3500108","16.2478","0.0008","14.3171","0.0007","17.4705","0.0009","90","","111.904","0.002","90","","3770.6","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetrabutylammonium chloride monohydrate","1-Butanaminium, N,N,N-tributyl-, chloride, hydrate (1:1)","","- C16 H38 Cl N O -","- C16 H38 Cl N O -","- C128 H304 Cl8 N8 O8 -","8","2","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.54178","CuKα","","0.0488","0.0406","","","0.1069","0.1152","","","","","","1.031","","","","has coordinates,has Fobs","251909","2020-10-21","18:00:00",""
"3500109","8.87","0.0004","14.0927","0.0006","14.8515","0.0007","90","","102.193","0.002","90","","1814.59","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrabutyl ammonium chloride hydrate","1-Butanaminium, N,N,N-tributyl-, chloride, hydrate (1:0.07)","","- C16 H36.14 Cl N O0.07 -","- C16 H36.14 Cl N O0.07 -","- C64 H144.56 Cl4 N4 O0.28 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.54178","CuKα","","0.0355","0.0345","","","0.092","0.0931","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","251911","2020-10-21","18:00:00",""
"3500110","11.6586","0.0007","13.1645","0.0008","11.5326","0.0007","90","","109.128","0.002","90","","1672.29","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ethyl p-hydroxybenzoate","Ethyl 4-hydroxybenzoate","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0458","0.0449","","","0.1177","0.1189","","","","","","1.121","","","","has coordinates,has Fobs","251912","2020-10-21","18:00:00",""
"3500111","12.5532","0.0005","7.4371","0.0003","11.9865","0.0005","90","","90","","90","","1119.05","0.08","150","","150","","","","","","","","","4","P c c n","-P 2ab 2ac","56","3-Pyridinol, 2-Nitro-","3-Pyridinol, 2-Nitro-","","- C5 H4 N2 O3 -","- C5 H4 N2 O3 -","- C40 H32 N16 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.052","0.0502","","","0.1237","0.1257","","","","","","1.169","","","","has coordinates,has disorder,has Fobs","252130","2020-10-21","18:00:00",""
"3500112","7.6434","0.0002","14.6714","0.0005","5.5496","0.0002","90","","90","","90","","622.33","0.03","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","indole","1H-Indole","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Thierry Maris","Indole in Pnma at 100 K","Personal communication to COD","2020","","","","","","","","1.54178","CuKα","","0.0317","0.0315","","","0.0862","0.0863","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","259064","2020-11-10","20:59:21",""
"3500113","7.7245","0.0001","14.8852","0.0002","5.7824","0.0001","90","","90","","90","","664.865","0.017","150","2","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","Thianaphtene","","","- C8 H6 S -","- C8 H6 S -","- C32 H24 S4 -","4","0.5","","Thierry Maris","Thianaphtene in Pnma at 100 K","Personal communication to COD","2020","","","","","","","","1.54178","CuKα","","0.0353","0.0348","","","0.1003","0.1008","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","259065","2020-11-10","21:06:25",""
"3500114","3.7993","0.0005","12.8169","0.0018","7.9561","0.0012","90","","101.052","0.007","90","","380.24","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Nitrobenzoyl Chloride","Benzoyl chloride, 4-nitro-","","- C7 H4 Cl N O3 -","- C7 H4 Cl N O3 -","- C14 H8 Cl2 N2 O6 -","2","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0505","0.0477","","","0.1333","0.1373","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","260189","2020-12-29","17:52:40",""
"4003453","19.86","0.005","7.617","0.0018","25.334","0.006","90","","90","","90","","3832.4","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0613","0.0412","","","0.094","0.1026","","","","","","1.063","","","","has coordinates","246479","2020-10-21","18:00:00",""
"4003454","19.991","0.007","7.549","0.003","25.31","0.009","90","","90","","90","","3820","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H15 N3 O2 Pt -","- C26 H15 N3 O2 Pt -","- C208 H120 N24 O16 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0444","0.03","","","0.0726","0.0769","","","","","","1.026","","","","has coordinates","246480","2020-10-21","18:00:00",""
"4003455","17.8692","0.0008","7.5528","0.0004","28.1923","0.0015","90","","90","","90","","3804.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0298","0.0236","","","0.0557","0.0582","","","","","","1.05","","","","has coordinates","246481","2020-10-21","18:00:00",""
"4003456","11.5984","0.0002","11.5984","0.0002","5.18","0.0002","90","","90","","90","","696.83","0.03","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- Ge4 K4 Li2 O13 Ti -","- Ge4 K4 Li2 O13 Ti -","- Ge8 K8 Li4 O26 Ti2 -","2","0.25","","Xu, Jingjing; Wu, Hongping; Yu, Hongwei; Zhang, Weiguo; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv","Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05267","","","0.71073","MoKα","","0.0196","0.0175","","","0.0296","0.03","","","","","","1.065","","","","has coordinates","246777","2020-10-21","18:00:00",""
"4003457","12.384","0.0003","17.0244","0.0003","13.5782","0.0003","90","","109.56","0.002","90","","2697.49","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0597","0.0562","","","0.1501","0.1537","","","","","","1.069","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003458","12.4074","0.0004","17.0305","0.0004","13.6005","0.0004","90","","109.67","0.004","90","","2706.15","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0687","0.0646","","","0.174","0.1797","","","","","","1.06","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003459","12.4369","0.0003","17.0361","0.0003","13.641","0.0003","90","","109.86","0.003","90","","2718.31","0.11","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0596","0.0555","","","0.1503","0.1551","","","","","","1.059","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003460","12.4534","0.0004","17.0371","0.0003","13.676","0.0003","90","","109.956","0.003","90","","2727.41","0.13","250.01","0.1","250.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0643","0.0584","","","0.1586","0.1656","","","","","","1.054","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003461","12.3259","0.0006","17.1167","0.0005","13.7003","0.0006","90","","110.171","0.005","90","","2713.2","0.2","300","0.1","300","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cd N7 O4 -","- C29 H23 Cd N7 O4 -","- C116 H92 Cd4 N28 O16 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0743","0.0635","","","0.1762","0.1888","","","","","","1.031","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003462","11.344","0.002","17.292","0.002","13.719","0.003","90","","106.5","0.02","90","","2580.3","0.8","325","2","325","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cd N7 O3 -","- C29 H21 Cd N7 O3 -","- C116 H84 Cd4 N28 O12 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.1375","0.103","","","0.2471","0.2816","","","","","","1.067","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003463","10.503","0.0014","17.522","0.002","13.9074","0.0014","90","","105.134","0.012","90","","2470.7","0.5","350","2","350","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.1834","0.0956","","","0.1935","0.2599","","","","","","1.065","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003464","10.4468","0.0014","17.562","0.004","13.972","0.003","90","","105.159","0.016","90","","2474.2","0.9","375","2","375","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.4338","0.2917","","","0.5155","0.5901","","","","","","1.277","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003465","10.4358","0.0009","17.5707","0.001","13.982","0.002","90","","105.29","0.011","90","","2473.1","0.5","400","2","400","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.3685","0.2924","","","0.5321","0.5814","","","","","","1.179","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003466","11.976","0.006","17.209","0.002","13.762","0.007","90","","108.69","0.05","90","","2687","2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cd N7 O3 -","- C29 H21 Cd N7 O3 -","- C116 H84 Cd4 N28 O12 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.2454","0.1871","","","0.3572","0.3919","","","","","","1.079","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003467","12.284","0.0007","17.0978","0.0006","13.5939","0.0007","90","","109.45","0.006","90","","2692.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cd N7 O4 -","- C29 H23 Cd N7 O4 -","- C116 H92 Cd4 N28 O16 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.0851","0.0668","","","0.168","0.1893","","","","","","1.1","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003468","14.252","0.003","14.372","0.003","14.776","0.003","90","","90","","90","","3026.6","1.1","295","2","295","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd15.54 Sc54.4 -","- Pd15.54 Sc55.4 -","- Pd31.08 Sc110.8 -","2","0.125","","Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena","New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03767","","","0.71073","MoKα","","0.0672","0.0374","","","0.0689","0.0766","","","","","","1.056","","","","has coordinates,has disorder","247263","2020-10-21","18:00:00",""
"4003469","14.2722","0.0007","14.3714","0.0007","14.7878","0.0007","90","","90","","90","","3033.1","0.3","295","2","295","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd15.52 Sc54.98 -","- Pd15.516 Sc54.98 -","- Pd31.032 Sc109.96 -","2","0.125","","Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena","New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03767","","","0.71073","MoKα","","0.028","0.0245","","","0.0577","0.0591","","","","","","1.093","","","","has coordinates,has disorder","247263","2020-10-21","18:00:00",""
"4003470","5.9701","0.0001","11.8291","0.0002","11.8582","0.0002","90","","92.361","0.002","90","","836.73","0.02","293.52","0.1","293.52","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Br3 N2 Pb -","- C H7 Br3 N2 Pb -","- C4 H28 Br12 N8 Pb4 -","4","2","","Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam","Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05273","","x-ray","0.71073","MoKα","","0.0185","0.0176","","","0.0399","0.0401","","","","","","1.099","","","","has coordinates","247898","2020-10-21","18:00:00",""
"4003471","6.0354","0.0004","6.0354","0.0004","6.0354","0.0004","90","","90","","90","","219.85","0.03","430.01","0.1","430.01","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H7 Br3 N2 Pb -","- C0.9996 Br3 N2.0004 Pb -","- C0.9996 Br3 N2.0004 Pb -","1","0.0208333","","Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam","Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05273","","x-ray","0.71073","MoKα","","0.0282","0.0267","","","0.0618","0.0637","","","","","","1.135","","","","has coordinates","247899","2020-10-21","18:00:00",""
"4003472","5.17589","0.00005","5.17589","0.00005","13.86668","0.00014","90","","90","","120","","321.716","0.005","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.82Mn0.18Fe0.09Nb0.91O3","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.54 Li4.92 Mn1.08 Nb5.46 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248044","2020-10-21","18:00:00",""
"4003473","5.23421","0.00003","5.23421","0.00003","13.915","0.0001","90","","90","","120","","330.154","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.43Mn0.57Fe0.28Nb0.72O3","- Fe0.28 Li0.43 Mn0.57 Nb0.72 O3 -","- Fe0.29 Li0.43 Mn0.57 Nb0.71 O3 -","- Fe1.74 Li2.58 Mn3.42 Nb4.26 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248045","2020-10-21","18:00:00",""
"4003474","5.22485","0.00003","5.22485","0.00003","13.9028","0.0001","90","","90","","120","","328.686","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.54Mn0.46Fe0.23Nb0.77O3","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe1.38 Li3.24 Mn2.76 Nb4.62 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248046","2020-10-21","18:00:00",""
"4003475","5.19699","0.00001","5.19699","0.00001","13.87683","0.00004","90","","90","","120","","324.582","0.0013","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.67Mn0.33Fe0.17Nb0.83O3","- Fe0.17 Li0.67 Mn0.33 Nb0.83 O3 -","- Fe0.167 Li0.67 Mn0.33 Nb0.833 O3 -","- Fe1.002 Li4.02 Mn1.98 Nb4.998 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248047","2020-10-21","18:00:00",""
"4003476","13.0283","0.00025","13.0283","0.00025","8.7499","0.00016","90","","90","","120","","1286.2","0.04","298","","298","","","","100","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C6 F9 Fe O6 -","- C6 F9 Fe O6 -","- C24 F36 Fe4 O24 -","4","0.666667","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","0.02483","","0.18385","","2.117","","","","","","","has coordinates","248087","2020-10-21","18:00:00",""
"4003477","7.13216","0.00031","7.53768","0.00025","11.25845","0.00029","90","","90","","90","","605.25","0.04","298","","298","","","","100","","","","","4","C m m a","-C 2a 2","67","","","","- C2 F5 Fe O2 -","- C2 F5 Fe O2 -","- C8 F20 Fe4 O8 -","4","0.25","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","0.02295","","0.13918","","1.809","","","","","","","has coordinates","248088","2020-10-21","18:00:00",""
"4003478","16.9559","0.0016","28.654","0.002","31.215","0.002","90","","90","","90","","15166","2","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 F56 Fe8 O32 -","- C32 F56 Fe8 O32 -","- C256 F448 Fe64 O256 -","8","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54178","CuKα","","0.1869","0.1669","","","0.4568","0.4732","","","","","","2.098","","","","has coordinates,has disorder","248089","2020-10-21","18:00:00",""
"4003479","8.483","0.002","8.5123","0.0015","14.559","0.003","106.748","0.016","92.231","0.018","90.877","0.017","1005.6","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 F16 Fe2 O10 -","- C10 F16 Fe2 O10 -","- C20 F32 Fe4 O20 -","2","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54184","CuKα","","0.1766","0.0996","","","0.2745","0.3125","","","","","","1.075","","","","has coordinates,has disorder","248090","2020-10-21","18:00:00",""
"4003480","11.7409","0.0005","11.0295","0.0004","12.9724","0.0005","90","","90","","90","","1679.88","0.11","473","","473","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 B11 Br6 Li -","- C H6 B11 Br6 Li -","- C4 H24 B44 Br24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.12","","","","","","","","has coordinates","248131","2020-10-21","18:00:00",""
"4003481","12.2381","0.0019","12.0569","0.0016","22.007","0.003","90","","90","","90","","3247.2","0.8","423","","423","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 B11 Cl6 Na -","- C H6 B11 Cl6 Na -","- C8 H48 B88 Cl48 Na8 -","8","1","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.0826","","","","","","","","has coordinates","248132","2020-10-21","18:00:00",""
"4003482","11.6879","0.0006","11.1093","0.0005","11.3771","0.0005","90","","90","","90","","1477.25","0.12","373","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","LiHCB11H5Cl6","","- C H6 B11 Cl6 Li -","- C H6 B11 Cl6 Li -","- C4 H24 B44 Cl24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","Synchrotron","","","","","","","","","5.4943","","","","","","","","has coordinates","248133","2020-10-21","18:00:00",""
"4003483","18.9984","0.0003","3.80922","0.00006","26.9065","0.0004","90","","97.5378","0.0016","90","","1930.37","0.05","170","0.13","170","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F2 O4 S4 -","- C20 H12 F2 O4 S4 -","- C80 H48 F8 O16 S16 -","4","0.5","","Li, Sunsun; Zhao, Wenchao; Zhang, Jianqi; Liu, Xiaoyu; Zheng, Zhong; He, Chang; Xu, Bowei; Wei, Zhixiang; Hou, Jianhui","Influence of Covalent and Noncovalent Backbone Rigidification Strategies on the Aggregation Structures of a Wide-Band-Gap Polymer for Photovoltaic Cells","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04971","","x-ray","1.54184","CuKα","","0.0348","0.0339","","","0.0968","0.0976","","","","","","1.087","","","","has coordinates,has disorder","248323","2020-10-21","18:00:00",""
"4003484","6.0661","0.0002","7.2535","0.0003","10.8143","0.0004","72.49","0.004","86.288","0.003","69.213","0.003","423.78","0.03","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 O4 S4 -","- C18 H12 O4 S4 -","- C18 H12 O4 S4 -","1","0.5","","Li, Sunsun; Zhao, Wenchao; Zhang, Jianqi; Liu, Xiaoyu; Zheng, Zhong; He, Chang; Xu, Bowei; Wei, Zhixiang; Hou, Jianhui","Influence of Covalent and Noncovalent Backbone Rigidification Strategies on the Aggregation Structures of a Wide-Band-Gap Polymer for Photovoltaic Cells","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04971","","x-ray","1.54184","CuKα","","0.1072","0.0993","","","0.2893","0.3011","","","","","","1.103","","","","has coordinates","248324","2020-10-21","18:00:00",""
"4003485","8.3518","0.0009","8.3518","0.0009","4.2368","0.0009","90","","90","","120","","255.93","0.07","120","2","120","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0279","0.0255","","","0.042","0.0426","","","","","","0.989","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003486","8.3343","0.0016","8.3343","0.0016","4.2279","0.0016","90","","90","","120","","254.33","0.12","135","2","135","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0303","0.026","","","0.043","0.0439","","","","","","1.031","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003487","8.3512","0.001","8.3512","0.001","4.2356","0.001","90","","90","","120","","255.83","0.07","170","2","170","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0349","0.0299","","","0.0522","0.0542","","","","","","1.039","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003488","8.3486","0.0011","8.3486","0.0011","4.2342","0.0012","90","","90","","120","","255.58","0.09","190","2","190","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0301","0.0263","","","0.0445","0.046","","","","","","1.046","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003489","8.3609","0.0008","8.3609","0.0008","4.2387","0.0008","90","","90","","120","","256.61","0.06","210","2","210","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0294","0.026","","","0.0427","0.0436","","","","","","0.909","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003490","8.3512","0.0007","8.3512","0.0007","4.2343","0.0008","90","","90","","120","","255.75","0.06","230","2","230","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0282","0.0249","","","0.0371","0.0378","","","","","","0.99","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003491","8.3561","0.0008","8.3561","0.0008","4.2354","0.0009","90","","90","","120","","256.11","0.06","250","2","250","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.027","0.0249","","","0.0447","0.0451","","","","","","1.103","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003492","8.359","0.002","8.359","0.002","4.231","0.003","90","","90","","120","","256","0.2","270","2","270","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0329","0.0287","","","0.0498","0.0508","","","","","","1.044","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003493","8.3663","0.0015","8.3663","0.0015","4.2399","0.0016","90","","90","","120","","257.01","0.12","290","2","290","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0374","0.0308","","","0.0473","0.0489","","","","","","1.055","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003494","20.5606","0.0005","20.5606","0.0005","20.5606","0.0005","90","","90","","90","","8691.8","0.4","146","2","146.41","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C60 H72 O32 Zr6 -","- C60 H96 O32 Zr6 -","- C240 H384 O128 Zr24 -","4","0.0208333","","Idrees, Karam B.; Chen, Zhijie; Zhang, Xuan; Mian, Mohammad Rasel; Drout, Riki J.; Islamoglu, Timur; Farha, Omar K.","Tailoring Pore Aperture and Structural Defects in Zirconium-Based Metal‒Organic Frameworks for Krypton/Xenon Separation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05048","","x-ray","0.71073","MoKα","","0.0928","0.0889","","","0.2536","0.2601","","","","","","1.136","","","","has coordinates,has disorder","248445","2020-10-21","18:00:00",""
"4003495","10.025","0.01","8.764","0.009","8.073","0.008","90","","90","","90","","709.3","1.2","296","2","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B5 F3 O7 Pb -","- B5 F3 O7 Pb -","- B20 F12 O28 Pb4 -","4","0.5","","Han, Shujuan; Mutailipu, Miriding; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00150","","","0.71073","MoKα","","0.0261","0.0252","","","0.0418","0.0422","","","","","","0.948","","","","has coordinates","248531","2020-10-21","18:00:00",""
"4003496","8.396","0.0007","23.11","0.002","22.285","0.002","90","","90.626","0.003","90","","4323.7","0.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 Bi2 I10 N3 -","- C21 H30 Bi2 I10 N3 -","- C84 H120 Bi8 I40 N12 -","4","0.5","","Pious, Johnpaul K.; Muthu, Chinnadurai; Dani, Selgiya; Saeki, Akinori; Nair, Vijayakumar C.","Bismuth-Based Zero-Dimensional Perovskite-like Materials: Effect of Benzylammonium on Dielectric Confinement and Photoconductivity","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00390","","","0.71073","MoKα","","0.088","0.0856","","","0.1908","0.1931","","","","","","1.115","","","","has coordinates,has disorder","248596","2020-10-21","18:00:00",""
"4003497","5.0576","0.0005","6.2808","0.0006","8.3865","0.0008","87.68","0.002","88.647","0.001","89.031","0.001","266.08","0.04","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- I4 O12 Sn -","- I4 O12 Sn -","- I4 O12 Sn -","1","0.5","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0291","0.0273","","","0.0643","0.0651","","","","","","1.264","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003498","5.436","0.013","9.91","0.02","6.281","0.015","90","","105.44","0.05","90","","326.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F2 I2 O6 Sn -","- F2 I2 O6 Sn -","- F4 I4 O12 Sn2 -","2","1","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0359","0.0328","","","0.065","0.0656","","","","","","0.905","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003499","5.498","0.0004","5.498","0.0004","9.211","0.001","90","","90","","90","","278.43","0.04","153","2","153","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu P S4 Zn -","- Cu P S4 Zn -","- Cu2 P2 S8 Zn2 -","2","0.125","","Li, Zhuang; Zhang, Shengzi; Huang, Zhiwei; Zhao, Li-Dong; Uykur, Ece; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Molecular Construction from AgGaS2 to CuZnPS4: Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00609","","x-ray","0.71073","MoKα","","0.019","0.0189","","","0.0495","0.0495","","","","","","1.302","","","","has coordinates","249451","2020-10-21","18:00:00",""
"4003500","8.446","0.004","8.446","0.004","21.998","0.019","90","","90","","120","","1359","1.5","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- Cs K Mo O9 P2 -","- Cs K Mo O9 P2 -","- Cs6 K6 Mo6 O54 P12 -","6","1","","Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00610","","","0.71073","MoKα","","0.028","0.0263","","","0.055","0.0563","","","","","","1.046","","","","has coordinates","249579","2020-10-21","18:00:00",""
"4003501","8.7489","0.0002","8.7489","0.0002","18.9924","0.0009","90","","90","","90","","1453.74","0.08","173","2","173.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.083","0.0472","","","0.0737","0.0821","","","","","","1.08","","","","has coordinates","249618","2020-10-21","18:00:00",""
"4003502","8.8299","0.0009","8.8299","0.0009","19.151","0.003","90","","90","","90","","1493.1","0.3","400","2","400","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1488","0.0686","","","0.1019","0.1244","","","","","","1.061","","","","has coordinates","249619","2020-10-21","18:00:00",""
"4003503","20.3104","0.0009","15.1875","0.0007","24.1736","0.0012","90","","90","","90","","7456.7","0.6","60","2","59.97","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.025","0.022","","","0.0406","0.0412","","","","","","1.288","","","","has coordinates","249620","2020-10-21","18:00:00",""
"4003504","18.9848","0.0004","12.1745","0.0002","25.0029","0.0005","90","","91.073","0.002","90","","5777.92","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H26 Co F12 I8 N6 O -","- C49 H25 Co F12 I8 N6 O -","- C196 H100 Co4 F48 I32 N24 O4 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0653","0.0358","","","0.0717","0.0768","","","","","","0.929","","","","has coordinates","249621","2020-10-21","18:00:00",""
"4003505","19.3934","0.0009","12.3384","0.0008","25.1198","0.0013","90","","91.371","0.004","90","","6009","0.6","385","2","385.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 Co F12 I8 N6 -","- C48 H22 Co F12 I8 N6 -","- C192 H88 Co4 F48 I32 N24 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1531","0.0934","","","0.2372","0.2824","","","","","","1.031","","","","has coordinates,has disorder","249622","2020-10-21","18:00:00",""
"4003506","20.314","0.003","15.056","0.0014","24.098","0.003","90","","90","","90","","7370.3","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1175","0.0737","","","0.1817","0.2101","","","","","","1.056","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003507","19.717","0.003","14.242","0.0014","23.529","0.003","90","","90","","90","","6607.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1256","0.0716","","","0.137","0.1542","","","","","","1.11","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003508","19.602","0.003","14.0363","0.0014","23.14","0.003","90","","90","","90","","6366.7","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1754","0.1153","","","0.2866","0.382","","","","","","1.438","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003509","19.431","0.011","13.831","0.003","22.9","0.014","90","","90","","90","","6154","5","299","2","299.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.241","0.1513","","","0.3951","0.5534","","","","","","0.928","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003510","15.174","0.0009","20.313","0.0012","24.0911","0.0015","90","","90","","90","","7425.6","0.8","30","2","30","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","2","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0183","0.0167","","","0.0341","0.0346","","","","","","1.086","","","","has coordinates","249624","2020-10-21","18:00:00",""
"4003511","9.1962","0.0002","14.1731","0.0003","27.5921","0.0005","89.8991","0.0017","83.9449","0.0017","77.606","0.002","3492.1","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H26 Co F12 I14 N6 O -","- C55 H26 Co F12 I14 N6 O -","- C110 H52 Co2 F24 I28 N12 O2 -","2","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0466","0.0281","","","0.05","0.0523","","","","","","0.909","","","","has coordinates","249625","2020-10-21","18:00:00",""
"4003512","19.2338","0.0004","12.1188","0.0003","25.0418","0.0007","90","","91.208","0.002","90","","5835.7","0.2","173.1","0.14","173.1","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 Co F12 I8 N6 -","- C48 H22 Co F12 I8 N6 -","- C192 H88 Co4 F48 I32 N24 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0667","0.0535","","","0.1294","0.137","","","","","","1.107","","","","has coordinates,has disorder","249626","2020-10-21","18:00:00",""
"4003513","20.4236","0.0007","15.4026","0.0006","24.2096","0.0008","90","","90","","90","","7615.8","0.5","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(terpy)2]","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1049","0.0511","","","0.0891","0.1086","","","","","","1.06","","","","has coordinates","249627","2020-10-21","18:00:00",""
"4003514","20.3703","0.0003","15.2991","0.0002","24.2579","0.0003","90","","90","","90","","7559.91","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0349","0.0235","","","0.0462","0.0479","","","","","","1.045","","","","has coordinates","249628","2020-10-21","18:00:00",""
"4003515","10.833","0.002","3.8355","0.0007","4.3954","0.0009","90","","90","","90","","182.63","0.06","250.72","","250.72","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Se -","- Ge Se -","- Ge4 Se4 -","4","0.5","","Murgatroyd, Philip A. E.; Smiles, Matthew J.; Savory, Christopher N.; Shalvey, Thomas P.; Swallow, Jack E. N.; Fleck, Nicole; Robertson, Craig M.; Jäckel, Frank; Alaria, Jonathan; Major, Jonathan D.; Scanlon, David O.; Veal, Tim D.","GeSe: Optical Spectroscopy and Theoretical Study of a van der Waals Solar Absorber","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00453","","","0.71073","MoKα","","0.0652","0.0578","","","0.193","0.2015","","","","","","1.224","","","","has coordinates","249629","2020-10-21","18:00:00",""
"4003516","16.151","0.008","11.854","0.005","6.795","0.004","90","","90","","90","","1300.9","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H2 Lu N O7 Se -","- H2 Lu N O7 Se -","- H16 Lu8 N8 O56 Se8 -","8","1","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0586","0.0485","","","0.1377","0.1438","","","","","","1.133","","","","has coordinates","249828","2020-10-21","18:00:00",""
"4003517","6.4728","0.0004","6.8453","0.0005","16.2422","0.0011","90","","90","","90","","719.66","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 Lu2 O16 Se4 -","- H10 Lu2 O16 Se4 -","- H20 Lu4 O32 Se8 -","2","0.5","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0416","0.0377","","","0.0954","0.097","","","","","","1.076","","","","has coordinates","249829","2020-10-21","18:00:00",""
"4003518","9.883","0.003","9.883","0.003","7.066","0.002","90","","90","","120","","597.7","0.3","273","2","273","2","","","","","","","","4","P 63","P 6c","173","","","","- F Lu3 O12 Se4 -","- F Lu3 O12 Se4 -","- F2 Lu6 O24 Se8 -","2","0.333333","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0245","0.0238","","","0.055","0.0554","","","","","","1.066","","","","has coordinates","249830","2020-10-21","18:00:00",""
"4003519","11.2329","0.0004","6.755","0.0002","24.0196","0.0009","90","","92.993","0.001","90","","1820.08","0.11","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 F6 N O2 P S -","- C17 H19 F6 N O2 P S -","- C68 H76 F24 N4 O8 P4 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.048","0.0395","","","0.0938","0.0995","","","","","","1.057","","","","has coordinates","250003","2020-10-21","18:00:00",""
"4003520","7.0156","0.0005","12.6773","0.0008","19.2635","0.0009","90","","96.856","0.002","90","","1701.02","0.18","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N O6 S -","- C17 H19 Cl N O6 S -","- C68 H76 Cl4 N4 O24 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.036","0.0306","","","0.0738","0.0773","","","","","","1.075","","","","has coordinates","250004","2020-10-21","18:00:00",""
"4003521","10.2318","0.0003","6.8098","0.0002","24.3279","0.0009","90","","93.294","0.001","90","","1692.28","0.09","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B F4 N O2 S -","- C17 H19 B F4 N O2 S -","- C68 H76 B4 F16 N4 O8 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.0491","0.0353","","","0.0774","0.0845","","","","","","1.088","","","","has coordinates","250005","2020-10-21","18:00:00",""
"4003522","9.1677","0.0002","16.9681","0.0004","15.439","0.0003","90","","100.766","0.001","90","","2359.39","0.09","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O6 S3 -","- C19 H19 F6 N2 O6 S3 -","- C76 H76 F24 N8 O24 S12 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.0355","0.0309","","","0.0778","0.0811","","","","","","1.04","","","","has coordinates","250006","2020-10-21","18:00:00",""
"4003523","9.9327","0.0005","9.829","0.0005","33.11","0.0018","90","","96.721","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0376","0.0366","","","0.0915","0.0924","","","","","","1.037","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003524","9.9333","0.0005","9.8326","0.0005","33.0974","0.0016","90","","96.739","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0378","0.0367","","","0.0947","0.0957","","","","","","1.022","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003525","9.8888","0.0004","15.5","0.0006","15.1398","0.0006","90","","104.637","0.001","90","","2245.26","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0529","0.0495","","","0.1421","0.1457","","","","","","1.04","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003526","16.0197","0.001","6.7614","0.0004","9.9344","0.0006","90","","104.48","0.002","90","","1041.87","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","0.5","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0469","0.0428","","","0.1156","0.119","","","","","","1.084","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003527","11.4483","0.0006","8.1332","0.0005","7.8077","0.0004","90","","90.239","0.004","90","","726.98","0.07","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- I5 K2 Na O14 -","- I5 K2 Na O14 -","- I10 K4 Na2 O28 -","2","1","","Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Zeng, Hao; Yang, Zhihua; Pan, Shilie","K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions","Chemistry of Materials","2020","32","8","3608","3614","10.1021/acs.chemmater.0c00878","","","0.71073","MoKα","","0.0421","0.0391","","","0.0862","0.0881","","","","","","1.029","","","","has coordinates","257098","2020-10-21","18:00:00",""
"4003528","25.92","0.02","25.92","0.02","6.857","0.006","90","","90","","120","","3990","6","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)1.0","","","- C9 H2 O7.99 Zn2 -","- C9 H2 O8 Zn2 -","- C81 H18 O72 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.1231","0.0752","","","0.1815","0.2071","","","","","","1.089","","","","has coordinates","257097","2020-10-21","18:00:00",""
"4003529","25.931","0.018","25.931","0.018","6.839","0.005","90","","90","","120","","3983","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)2.0","","","- C9.98 H2 O9.96 Zn2 -","- C9.986 H2 O9.966 Zn2 -","- C89.874 H18 O89.694 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.0877","0.0646","","","0.1657","0.1813","","","","","","1.032","","","","has coordinates,has disorder","257097","2020-10-21","18:00:00",""
"4003530","7.137","0.002","7.605","0.002","10.036","0.002","87.757","0.004","77.802","0.004","80.176","0.003","524.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag Ga I4 O12 -","- Ag Ga I4 O12 -","- Ag2 Ga2 I8 O24 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0366","0.0358","","","0.1001","0.1007","","","","","","1.146","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003531","7.342","0.0015","15.218","0.003","14.997","0.003","90","","101.01","0.03","90","","1644.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag3 I12 In3 O36 -","- Ag3 I12 In3 O36 -","- Ag6 I24 In6 O72 -","2","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0543","0.0494","","","0.144","0.1462","","","","","","1.112","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003532","8.116","0.0016","10.426","0.002","11.11","0.002","75.09","0.03","89.91","0.03","76.2","0.03","880.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 In O18 -","- Ag3 I6 In O18 -","- Ag6 I12 In2 O36 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0465","0.0457","","","0.1303","0.1312","","","","","","1.064","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003533","7.5396","0.0003","7.5656","0.0003","7.595","0.0003","99.546","0.001","96.843","0.001","96.51","0.001","420.25","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0342","0.0292","","","0.0626","0.0687","","","","","","1.238","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003534","7.6379","0.0005","7.6553","0.0005","7.6882","0.0005","99.145","0.002","96.914","0.002","97.321","0.002","435.64","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0396","0.0392","","","0.0976","0.0978","","","","","","1.266","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003535","5.7416","0.0004","11.4227","0.0002","11.4054","0.0003","90","","90","","90","","748.02","0.06","360.1","0.1","360.1","0.1","","","","","","","","5","P b 21 m","P -2 -2b","26","","","","- C H7 Cl3 N2 Pb -","- C H7 Cl3 N2 Pb -","- C4 H28 Cl12 N8 Pb4 -","4","1","","Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam","Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00973","","x-ray","0.71073","MoKα","","0.0329","0.031","","","0.0728","0.0748","","","","","","1.053","","","","has coordinates","251025","2020-10-21","18:00:00",""
"4003536","5.7266","0.0001","11.3396","0.0002","11.3926","0.0002","90","","92.332","0.002","90","","739.19","0.02","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Cl3 N2 Pb -","- C H7 Cl3 N2 Pb -","- C4 H28 Cl12 N8 Pb4 -","4","2","","Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam","Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00973","","x-ray","0.71073","MoKα","","0.0283","0.0272","","","0.0606","0.0615","","","","","","1.071","","","","has coordinates","251026","2020-10-21","18:00:00",""
"4003537","9.9645","0.0001","15.8391","0.0001","21.1899","0.0002","90","","94.026","0.001","90","","3336.12","0.05","104","1","104","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H50 N28 O Zn5 -","- C66 H50 N28 O Zn5 -","- C132 H100 N56 O2 Zn10 -","2","1","","Lyndon, Richelle; You, Wenqin; Ma, Yao; Bacsa, John; Gong, Yutao; Stangland, Eric E.; Walton, Krista S.; Sholl, David S.; Lively, Ryan P.","Tuning the Structures of Metal‒Organic Frameworks via a Mixed-Linker Strategy for Ethylene/Ethane Kinetic Separation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04177","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.0956","0.0981","","","","","","1.039","","","","has coordinates,has disorder","251274","2020-10-21","18:00:00",""
"4003538","3.9308","0.0008","3.9308","0.0008","7.0919","0.0014","90","","90","","90","","109.58","0.04","296","2","296","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- As Mn Pt5 -","- As Mn Pt5 -","- As Mn Pt5 -","1","0.0625","","Gui, Xin; Xie, Weiwei","Crystal Structure, Magnetism, and Electronic Properties of a Rare-Earth-Free Ferromagnet: MnPt5As","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00244","","","0.71073","MoKα","","0.0312","0.0273","","","0.0726","0.0752","","","","","","1.163","","","","has coordinates","251408","2020-10-21","18:00:00",""
"4003539","19.7678","0.0016","30.778","0.002","5.8368","0.0005","90","","90","","90","","3551.2","0.5","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 N O Te -","- C23 H15 N O Te -","- C184 H120 N8 O8 Te8 -","8","2","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0563","0.0392","","","0.0973","0.1043","","","","","","1.077","","","","has coordinates","251500","2020-10-21","18:00:00",""
"4003540","6.2684","0.0002","15.7449","0.0006","17.5392","0.0006","90","","94.1879","0.0011","90","","1726.42","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N O Se -","- C23 H15 N O Se -","- C92 H60 N4 O4 Se4 -","4","1","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0501","0.0388","","","0.1174","0.1267","","","","","","1.01","","","","has coordinates","251501","2020-10-21","18:00:00",""
"4003541","6.2132","0.0002","15.7432","0.0006","17.4235","0.0007","90","","94.8272","0.0012","90","","1698.25","0.11","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13.5 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0832","0.0561","","","0.1442","0.159","","","","","","1.039","","","","has coordinates","251502","2020-10-21","18:00:00",""
"4003542","17.575","0.008","16.067","0.007","9.31","0.004","90","","90","","90","","2629","2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H42 In N9 -","- C18 H36 In N8 -","- C72 H144 In4 N32 -","4","0.5","","O’Brien, Nathan J.; Rouf, Polla; Samii, Rouzbeh; Rönnby, Karl; Buttera, Sydney C.; Hsu, Chih-Wei; Ivanov, Ivan G.; Kessler, Vadim; Ojamäe, Lars; Pedersen, Henrik","In Situ Activation of an Indium(III) Triazenide Precursor for Epitaxial Growth of Indium Nitride by Atomic Layer Deposition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05171","","","0.71073","MoKα","","0.1061","0.0945","","","0.2309","0.2368","","","","","","0.986","","","","has coordinates","252176","2020-10-21","18:00:00",""
"4003543","23.515","0.003","23.515","0.003","11.052","0.002","90","","90","","120","","5292.5","1.4","296","2","296","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H26 Cu2 N2 O10 -","- C32 H26 Cu2 N2 O10 -","- C96 H78 Cu6 N6 O30 -","3","0.25","","Krause, Simon; Reuter, Florian S.; Ehrling, Sebastian; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Brunner, Eike","Impact of Defects and Crystal Size on Negative Gas Adsorption in DUT-49 Analyzed by In Situ 129Xe NMR Spectroscopy","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01059","","","0.88561","synchrotron","","0.112","0.1039","","","0.3214","0.3435","","","","","","1.273","","","","has coordinates","252213","2020-10-21","18:00:00",""
"4003544","12.952","0.0007","14.343","0.0007","14.3389","0.0007","90","","94.966","0.002","90","","2653.7","0.2","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 F4 I10 N4 Sb2 -","- C32 H44 F4 I10 N4 Sb2 -","- C64 H88 F8 I20 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0189","0.0172","","","0.0381","0.0385","","","","","","1.199","","","","has coordinates,has disorder","252244","2020-10-21","18:00:00",""
"4003545","12.3557","0.0005","13.4134","0.0006","14.4815","0.0006","90","","95.5638","0.0013","90","","2388.74","0.17","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Br10 F4 N4 Sb2 -","- C32 H44 Br10 F4 N4 Sb2 -","- C64 H88 Br20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0247","0.02","","","0.0372","0.0383","","","","","","0.972","","","","has coordinates","252245","2020-10-21","18:00:00",""
"4003546","12.2017","0.0006","14.1185","0.0007","14.0742","0.0007","90","","95.2271","0.0017","90","","2414.5","0.2","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Br10 F4 N4 -","- C32 H44 Bi2 Br10 F4 N4 -","- C64 H88 Bi4 Br20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0541","0.0444","","","0.1277","0.136","","","","","","1.043","","","","has coordinates,has disorder","252246","2020-10-21","18:00:00",""
"4003547","11.7357","0.0005","13.9008","0.0006","13.9806","0.0006","90","","95.5476","0.0014","90","","2270.05","0.17","100","","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Cl10 F4 N4 -","- C32 H44 Bi2 Cl10 F4 N4 -","- C64 H88 Bi4 Cl20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0341","0.0272","","","0.061","0.0643","","","","","","1.108","","","","has coordinates,has disorder","252247","2020-10-21","18:00:00",""
"4003548","11.8394","0.0007","12.8214","0.0007","14.8843","0.0009","90","","95.0706","0.0019","90","","2250.6","0.2","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cl10 F4 N4 Sb2 -","- C32 H44 Cl10 F4 N4 Sb2 -","- C64 H88 Cl20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0234","0.0195","","","0.0365","0.0374","","","","","","1.046","","","","has coordinates","252248","2020-10-21","18:00:00",""
"4003549","12.9207","0.0005","14.6156","0.0005","14.2779","0.0005","90","","94.3351","0.0014","90","","2688.58","0.17","100","2","100.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 F4 I10 N4 -","- C32 H44 Bi2 F4 I10 N4 -","- C64 H88 Bi4 F8 I20 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0396","0.0268","","","0.0402","0.0429","","","","","","0.953","","","","has coordinates","252249","2020-10-21","18:00:00",""
"4003550","17.348","0.0004","17.348","0.0004","22.6258","0.0006","90","","90","","120","","5897","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Br4 N2 Pb -","- C24 H24 Br4 N2 Pb -","- C216 H216 Br36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0924","0.0452","","","0.0553","0.0666","","","","","","1.013","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003551","17.1827","0.0007","17.1827","0.0007","21.6452","0.0012","90","","90","","120","","5534.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Cl4 N2 Pb -","- C24 H24 Cl4 N2 Pb -","- C216 H216 Cl36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0694","0.0445","","","0.0731","0.0839","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003552","15.4933","0.0003","15.4933","0.0003","24.3672","0.0004","90","","90","","120","","5065.52","0.16","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H18 Br4 N4 O2 Pb -","- C14 H18 Br4 N4 O2 Pb -","- C126 H162 Br36 N36 O18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0532","0.039","","","0.0998","0.107","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003553","11.1106","0.0005","15.942","0.0009","19.7704","0.001","103.424","0.002","91.033","0.002","93.167","0.002","3399.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 Br12 N12 O2 Pb3 S2 -","- C46 H54 Br12 N12 O2 Pb3 S2 -","- C92 H108 Br24 N24 O4 Pb6 S4 -","2","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.145","0.0626","","","0.1009","0.1327","","","","","","1.023","","","","has coordinates,has disorder","252250","2020-10-21","18:00:00",""
"4003554","11.7951","0.0011","7.8822","0.0007","11.8001","0.0011","90","","101.304","0.002","90","","1075.79","0.17","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 I3 N Pb -","- C12 H12 I3 N Pb -","- C24 H24 I6 N2 Pb2 -","2","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.1407","0.0554","","","0.1416","0.1769","","","","","","1.028","","","","has coordinates,has disorder","252250","2020-10-21","18:00:00",""
"4003555","7.887","0.0003","10.0639","0.0003","15.1133","0.0005","90","","90","","90","","1199.6","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Br3 N Pb -","- C7 H10 Br3 N Pb -","- C28 H40 Br12 N4 Pb4 -","4","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0498","0.0361","","","0.0678","0.0727","","","","","","0.991","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003556","10.9668","0.0005","11.963","0.0005","12.1132","0.0006","114.818","0.002","91.946","0.002","96.673","0.002","1426.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Br5 N2 Pb1.5 -","- C20 H32 Br5 N2 Pb1.5 -","- C40 H64 Br10 N4 Pb3 -","2","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0857","0.0462","","","0.0612","0.0727","","","","","","1.008","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003557","7.7918","0.0007","11.1156","0.0009","14.7794","0.0012","90.295","0.002","98.934","0.002","100.308","0.002","1243.4","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Br3 N O Pb -","- C7 H10 Br3 N O Pb -","- C28 H40 Br12 N4 O4 Pb4 -","4","2","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.1173","0.0579","","","0.1004","0.123","","","","","","1.036","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003558","11.5583","0.0006","11.6234","0.0005","17.3131","0.0007","80.299","0.004","74.26","0.004","89.849","0.004","2204.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Br8 N4 Sn2 -","- C32 H48 Br8 N4 Sn2 -","- C64 H96 Br16 N8 Sn4 -","2","1","","Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu","0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01254","","","0.71073","MoKα","","0.0479","0.0393","","","0.1038","0.1099","","","","","","0.946","","","","has coordinates","252251","2020-10-21","18:00:00",""
"4003559","17.055","0.0006","10.0193","0.0003","37.8344","0.0014","90","","101.131","0.004","90","","6343.5","0.4","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H76 Br8 Cl4 N6 Sn -","- C50 H76 Br8 Cl4 N6 Sn -","- C200 H304 Br32 Cl16 N24 Sn4 -","4","1","","Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu","0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01254","","x-ray","0.71073","MoKα","","0.0335","0.0285","","","0.0569","0.058","","","","","","1.049","","","","has coordinates,has disorder","252252","2020-10-21","18:00:00",""
"4003560","5.0991","0.0002","5.3298","0.0002","8.8729","0.0003","90","","90","","90","","241.14","0.015","323","","323","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0234","0.0194","","","0.0507","0.0537","","","","","","1.055","","","","has coordinates","252282","2020-10-21","18:00:00",""
"4003561","5.117","0.0003","5.3335","0.0003","8.8794","0.0006","90","","90","","90","","242.33","0.03","500","","500.01","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0317","0.026","","","0.0659","0.0735","","","","","","0.968","","","","has coordinates","252283","2020-10-21","18:00:00",""
"4003562","5.0902","0.0004","5.3328","0.0004","8.8813","0.0006","90","","90","","90","","241.08","0.03","100","2","99.96","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0241","0.0206","","","0.0547","0.0567","","","","","","1.134","","","","has coordinates","252284","2020-10-21","18:00:00",""
"4003563","6.7349","0.0013","7.8881","0.0016","7.8913","0.0016","106.69","0.03","100.39","0.03","100.56","0.03","382.49","0.17","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H9 N5 O -","- C19 H2 N5 O -","- C19 H2 N5 O -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0721","0.0615","","","0.1748","0.1898","","","","","","1.021","","","","has coordinates,has disorder","252540","2020-10-21","18:00:00",""
"4003564","7.2068","0.0014","7.9426","0.0016","30.646","0.006","90","","91.47","0.03","90","","1753.6","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19.2 H9.6 N3.2 -","- C19.2 H9.6 N3.2 -","- C96 H48 N16 -","5","1.25","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.1005","0.0554","","","0.1115","0.1297","","","","","","1.06","","","","has coordinates","252541","2020-10-21","18:00:00",""
"4003565","13.534","0.004","15.352","0.004","7.4821","0.0015","90","","92.14","0.03","90","","1553.5","0.7","113","2","113","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","0.5","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.1363","0.0856","","","0.2115","0.2443","","","","","","1.057","","","","has coordinates","252542","2020-10-21","18:00:00",""
"4003566","7.1834","0.0014","7.7893","0.0016","7.9495","0.0016","73.81","0.03","83.7","0.03","88.39","0.03","424.58","0.16","113","2","113","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0671","0.0435","","","0.0969","0.1045","","","","","","1.032","","","","has coordinates,has disorder","252543","2020-10-21","18:00:00",""
"4003567","24.936","0.005","7.2372","0.0014","9.2971","0.0019","90","","90","","90","","1677.8","0.6","113","2","113","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H11 N5 -","- C22 H11 N5 -","- C88 H44 N20 -","4","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0837","0.0798","","","0.201","0.2045","","","","","","0.997","","","","has coordinates","252544","2020-10-21","18:00:00",""
"4003568","7.158","0.0014","7.8056","0.0016","7.9356","0.0016","72.93","0.03","85.74","0.03","88.93","0.03","422.68","0.16","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H10 N4 S -","- C22 H10 N4 S -","- C22 H10 N4 S -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0782","0.0702","","","0.2147","0.2212","","","","","","1.062","","","","has coordinates,has disorder","252545","2020-10-21","18:00:00",""
"4003569","7.2441","0.0014","8.425","0.0017","15.533","0.003","90","","93.74","0.03","90","","946","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0962","0.0656","","","0.1855","0.2091","","","","","","1.069","","","","has coordinates","252546","2020-10-21","18:00:00",""
"4003570","6.5695","0.0002","7.7923","0.0003","15.4694","0.0007","97.485","0.003","94.638","0.003","104.739","0.003","753.93","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","S-DNTT-8","","","- C38 H46 S2 -","- C38 H44 S2 -","- C38 H44 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0428","0.0351","","","0.0973","0.1017","","","","","","1.044","","","","has coordinates","253010","2020-10-21","18:00:00",""
"4003571","4.8135","0.0002","7.9484","0.0003","14.8781","0.0006","96.494","0.003","90.898","0.004","101.587","0.004","553.62","0.04","123","","123","","","","","","","","","3","P -1","-P 1","2","S-DNTT-4","","","- C15 H14 S -","- C15 H14 S -","- C30 H28 S2 -","2","1","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","x-ray","0.71073","MoKα","","0.0377","0.0313","","","0.0805","0.0838","","","","","","1.038","","","","has coordinates","253011","2020-10-21","18:00:00",""
"4003572","7.2092","0.0004","8.5332","0.0008","11.1656","0.0014","82.946","0.009","77.081","0.008","80.005","0.006","656.8","0.11","123","2","123","2","","","","","","","","3","P -1","-P 1","2","S-DNTT-6","","","- C34 H36 S2 -","- C34 H36 S2 -","- C34 H36 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0703","0.0613","","","0.1551","0.1613","","","","","","1.088","","","","has coordinates","253012","2020-10-21","18:00:00",""
"4003573","7.7947","0.0003","10.8375","0.0007","11.0524","0.0005","78.016","0.005","70.544","0.004","82.611","0.004","859.36","0.08","173","","173","","","","","","","","","3","P -1","-P 1","2","S-DNTT-10","","","- C42 H52 S2 -","- C42 H52 S2 -","- C42 H52 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0799","0.0561","","","0.1229","0.1351","","","","","","1.065","","","","has coordinates","253013","2020-10-21","18:00:00",""
"4003574","5.54535","0.00004","5.21029","0.00003","7.67491","0.00006","90","","94.6924","0.0006","90","","221.007","0.003","300","","300","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Cu Nb O3 -","- Cu Nb O3 -","- Cu4 Nb4 O12 -","4","2","","Fukuda, Masayuki; Yamada, Ikuya; Murata, Hidenobu; Hojo, Hajime; Hernandez, Olivier J.; Ritter, Clemens; Tanaka, Katsuhisa; Fujita, Koji","Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00444","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.6644","1.27185","","","","","","","has coordinates","253014","2020-10-21","18:00:00",""
"4003575","10.5141","0.0001","10.5141","0.0001","10.5141","0.0001","90","","90","","90","","1162.3","0.019","200","0.1","200","0.1","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 In Na -","- Cl6 Cs2 In Na -","- Cl24 Cs8 In4 Na4 -","4","0.0208333","","Noculak, Agnieszka; Morad, Viktoriia; McCall, Kyle M.; Yakunin, Sergii; Shynkarenko, Yevhen; Wörle, Michael; Kovalenko, Maksym V.","Bright Blue and Green Luminescence of Sb(III) in Double Perovskite Cs<sub>2</sub>MInCl<sub>6</sub> (M = Na, K) Matrices.","Chemistry of materials : a publication of the American Chemical Society","2020","32","12","5118","5124","10.1021/acs.chemmater.0c01004","","x-ray","0.71073","MoKα","","0.0224","0.0224","","","0.0442","0.0442","","","","","","1.285","","","","has coordinates","253723","2020-10-21","18:00:00",""
"4003576","20.1068","0.0004","15.3349","0.0003","8.93802","0.00016","90","","90","","90","","2755.91","0.09","171","","171","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O S2 -","- C13 H16 N2 O S2 -","- C104 H128 N16 O8 S16 -","8","1","","Zheng, Yu; Ashizawa, Minoru; Zhang, Song; Kang, Jiheong; Nikzad, Shayla; Yu, Zhiao; Ochiai, Yuto; Wu, Hung-Chin; Tran, Helen; Mun, Jaewan; Zheng, Yu-Qing; Tok, Jeffrey B.-H.; Gu, Xiaodan; Bao, Zhenan","Tuning the Mechanical Properties of a Polymer Semiconductor by Modulating Hydrogen Bonding Interactions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01437","","","1.54187","CuKα","","0.0883","0.0798","","","0.2435","0.2585","","","","","","1.104","","","","has coordinates,has disorder","253177","2020-10-21","18:00:00",""
"4003577","10.3","0.02","10.29","0.02","13.73","0.03","90","","101.16","0.02","90","","1428","5","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe0.13 Ga0.87 Na S2 -","- Fe0.135 Ga0.865 Na S2 -","- Fe2.16 Ga13.84 Na16 S32 -","16","2","","Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00836","","","0.71073","MoKα","","0.0659","0.0541","","","0.1323","0.1382","","","","","","1.174","","","","has coordinates","253178","2020-10-21","18:00:00",""
"4003578","10.226","0.003","10.227","0.003","13.506","0.005","90","","100.926","0.004","90","","1386.9","0.8","240","2","240","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na S2 -","- Ga Na S2 -","- Ga16 Na16 S32 -","16","2","","Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00836","","","0.71073","MoKα","","0.0456","0.0379","","","0.0993","0.1049","","","","","","1.13","","","","has coordinates","253179","2020-10-21","18:00:00",""
"4003579","9.9588","0.0003","9.777","0.0003","14.1456","0.0004","90","","90","","90","","1377.32","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","catena-(bis(m2-1,2,4-triazolato)-zinc)","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C32 H32 N48 Zn8 -","8","1","","Darby, James P.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Marrett, Joseph M.; Friščić, Tomislav; Morris, Andrew J.","Ab Initio Prediction of Metal-Organic Framework Structures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01737","powder diffraction","","1.5418","CuKα","","","","","","","","","0.032","2.807","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003580","5.33793","0.00003","5.48741","0.00003","7.75779","0.00005","90","","90.2455","0.0004","90","","227.235","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Dy Na Ni O6 W -","- Dy Na Ni O6 W -","- Dy2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.2164","6.7903","","","","","","","has coordinates","253213","2020-10-21","18:00:00",""
"4003581","5.32705","0.00003","5.49121","0.00004","7.7552","0.00005","90","","90.2233","0.0004","90","","226.853","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ho Na Ni O6 W -","- Ho Na Ni O6 W -","- Ho2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","CuKα","","","","","","","","","3.1562","7.2671","","","","","","","has coordinates","253214","2020-10-21","18:00:00",""
"4003582","5.322633","0.000019","5.48943","0.00002","7.74998","0.00002","90","","90.2387","0.0002","90","","226.439","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Y -","- Na Ni O6 W Y -","- Na2 Ni2 O12 W2 Y2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.8782","4.2211","","","","","","","has coordinates","253215","2020-10-21","18:00:00",""
"4003583","5.2834","0.00005","5.47922","0.00005","7.72843","0.00008","90","","90.2088","0.0007","90","","223.728","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Yb -","- Na Ni O6 W Yb -","- Na2 Ni2 O12 W2 Yb2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.5593","6.3319","","","","","","","has coordinates","253216","2020-10-21","18:00:00",""
"4003584","3.92456","0.00004","15.06245","0.00016","5.63484","0.00006","90","","90","","90","","333.095","0.006","1173","","1173","","","","","","","","","3","C m c m","-C 2c 2","63","","Bismuth Tantalate","","- Bi O4 Ta -","- Bi O4 Ta -","- Bi4 O16 Ta4 -","4","0.25","","Zhuk, Nadezhda A.; Krzhizhanovskaya, Maria G.; Belyy, Vladimir A.; Kharton, Vladislav V.; Chichineva, Alena I.","Phase Transformations and Thermal Expansion of α- and β-BiTaO4 and the High-Temperature Modification γ-BiTaO4","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00010","powder diffraction","","1.79021","CoKα","","","","","","","","","3.65","2.33","","","","","","","has coordinates","253253","2020-10-21","18:00:00",""
"4003585","16.5155","0.0008","8.6521","0.0005","8.7642","0.0004","90","","99.0461","0.0019","90","","1236.77","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 I4 N2 Pb -","- C14 H32 I4 N2 Pb -","- C28 H64 I8 N4 Pb2 -","2","0.5","","Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Robot-Accelerated Perovskite Investigation and Discovery","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01153","","","0.71073","MoKα","","0.035","0.035","","0.0935","0.0935","0.0935","","","","","","0.9978","","","","has coordinates","253254","2020-10-21","18:00:00",""
"4003586","15.2648","0.0006","15.2648","0.0006","8.1332","0.0003","90","","90","","120","","1641.25","0.11","150","2","150","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- C6 H21 I9 N6 Pb3 -","- C6 H21 I9 N6 Pb3 -","- C12 H42 I18 N12 Pb6 -","2","0.333333","","Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Robot-Accelerated Perovskite Investigation and Discovery","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01153","","","0.71073","MoKα","","0.0483","0.0365","","","0.0654","0.0696","","","","","","1.075","","","","has coordinates","253255","2020-10-21","18:00:00",""
"4003587","7.024","0.002","7.064","0.002","13.1","0.004","84.259","0.004","84.715","0.003","63.544","0.003","578.2","0.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- I4 O12 Sr2 -","- I4 O12 Sr2 -","- I8 O24 Sr4 -","2","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.0359","0.0328","","","0.0902","0.0931","","","","","","1.048","","","","has coordinates","253373","2020-10-21","18:00:00",""
"4003588","10.747","0.004","7.161","0.003","9.086","0.003","90","","93.748","0.004","90","","697.8","0.5","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba(IO2F2)2","","- Ba F4 I2 O4 -","- Ba F4 I2 O4 -","- Ba4 F16 I8 O16 -","4","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.0335","0.028","","","0.059","0.0611","","","","","","1.085","","","","has coordinates","253374","2020-10-21","18:00:00",""
"4003589","10.462","0.003","7.2724","0.0019","8.306","0.002","90","","109.699","0.003","90","","595","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SrI2O5F2","","- F2 I2 O5 Sr -","- F2 I2 O5 Sr -","- F8 I8 O20 Sr4 -","4","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.035","0.0266","","","0.0534","0.0566","","","","","","1.025","","","","has coordinates","253375","2020-10-21","18:00:00",""
"4003590","6.8439","0.0008","31.466","0.004","7.0224","0.0008","90","","109.878","0.002","90","","1422.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C76 H36 F16 O8 -","2","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0453","0.0384","","","0.086","0.0896","","","","","","1.085","","","","has coordinates","253401","2020-10-21","18:00:00",""
"4003591","13.198","0.0013","9.1099","0.0009","15.1637","0.0014","90","","107.904","0.002","90","","1734.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C84 H56 F16 N4 O8 -","2","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0891","0.0708","","","0.1949","0.218","","","","","","1.053","","","","has coordinates","253402","2020-10-21","18:00:00",""
"4003592","40.925","0.004","40.925","0.004","4.6169","0.0006","90","","90","","120","","6696.7","1.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C342 H162 F72 O36 -","9","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0574","0.0467","","","0.1553","0.164","","","","","","1.123","","","","has coordinates","253403","2020-10-21","18:00:00",""
"4003593","4.4959","0.0003","13.0881","0.0009","15.9017","0.0011","66.725","0.001","82.591","0.002","82.531","0.001","849.16","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0614","0.0438","","","0.1129","0.1234","","","","","","1.034","","","","has coordinates","253404","2020-10-21","18:00:00",""
"4003594","7.5445","0.001","16.744","0.002","16.82","0.002","60.589","0.002","77.321","0.003","81.33","0.002","1803.5","0.4","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C84 H56 F16 N4 O8 -","2","1","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0842","0.0716","","","0.2041","0.2265","","","","","","1.019","","","","has coordinates,has disorder","253405","2020-10-21","18:00:00",""
"4003595","6.885","0.0007","7.0203","0.0007","17.463","0.0018","90.762","0.002","90.77","0.002","109.465","0.002","795.61","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F8 O6 -","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.1577","0.1257","","","0.3429","0.3659","","","","","","1.096","","","","has coordinates","253406","2020-10-21","18:00:00",""
"4003596","7.6603","0.0004","9.2589","0.0005","11.7819","0.0007","94.291","0.001","100.484","0.001","94.65","0.001","815.56","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0498","0.0415","","","0.1122","0.1192","","","","","","1.027","","","","has coordinates","253407","2020-10-21","18:00:00",""
"4003597","7.6598","0.0007","9.193","0.0009","12.4157","0.0012","89.665","0.002","81.654","0.002","84.678","0.002","861.26","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0418","0.0358","","","0.0937","0.0986","","","","","","1.042","","","","has coordinates","253408","2020-10-21","18:00:00",""
"4003598","48.0806","0.001","4.7831","0.0001","28.6935","0.0006","90","","101.471","0.001","90","","6467","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","- C320 H176 F64 O48 -","8","1","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","1.54184","CuKα","","0.0431","0.0353","","","0.0908","0.0981","","","","","","1.038","","","","has coordinates","253409","2020-10-21","18:00:00",""
"4003599","7.7154","0.0007","9.1759","0.0008","11.2358","0.001","101.159","0.002","96.904","0.002","95.288","0.002","769.29","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0572","0.0459","","","0.1287","0.1377","","","","","","1.071","","","","has coordinates","253410","2020-10-21","18:00:00",""
"4003600","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0742","0.058","","","0.1641","0.1857","","","","","","1.15","","","","has coordinates,has disorder","253518","2020-10-21","18:00:00",""
"4003601","37.16","0.005","22.815","0.004","10.7854","0.0009","90","","93.092","0.012","90","","9131","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H96 Cl2 N6 O26 Zr6 -","- C84 H96 Cl2 N6 O26 Zr6 -","- C336 H384 Cl8 N24 O104 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0417","0.0399","","","0.1068","0.1089","","","","","","1.049","","","","has coordinates,has disorder","253519","2020-10-21","18:00:00",""
"4003602","22.921","0.003","16.858","0.002","31.905","0.004","90","","102.424","0.005","90","","12039","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H112 Cl2 N4 O24 Zr6 -","- C108 H112 Cl2 N4 O24 Zr6 -","- C432 H448 Cl8 N16 O96 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0995","0.0532","","","0.1234","0.1481","","","","","","1.011","","","","has coordinates,has disorder","253520","2020-10-21","18:00:00",""
"4003603","10.6473","0.0003","19.677","0.0005","48.7602","0.0012","90","","94.934","0.001","90","","10177.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H86 Cl2 N2 O22 Zr6 -","- C96 H86 Cl2 N2 O22 Zr6 -","- C384 H344 Cl8 N8 O88 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1419","0.1204","","","0.2506","0.2615","","","","","","1.11","","","","has coordinates,has disorder","253521","2020-10-21","18:00:00",""
"4003604","39.7702","0.0012","22.4499","0.0007","10.8784","0.0003","90","","90.483","0.002","90","","9712.3","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H68 Cl2 N2 O22 S3 Zr6 -","- C66 H68 Cl2 N2 O22 S3 Zr6 -","- C264 H272 Cl8 N8 O88 S12 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0637","0.0545","","","0.1418","0.1507","","","","","","1.007","","","","has coordinates,has disorder","253522","2020-10-21","18:00:00",""
"4003605","12.8761","0.0004","16.5123","0.0005","18.537","0.0006","102.277","0.002","104.442","0.002","97.331","0.002","3660.8","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H52 F6 O27 S2 Zr6 -","- C57 H52 F6 O27 S2 Zr6 -","- C114 H104 F12 O54 S4 Zr12 -","2","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0813","0.0584","","","0.1395","0.1627","","","","","","1.102","","","","has coordinates","253523","2020-10-21","18:00:00",""
"4003606","36.739","0.002","36.739","0.002","73.888","0.005","90","","90","","90","","99731","10","150","2","150","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C132 H108 Cl6 O40 Zr12 -","- C132 H108 Cl6 O40 Zr12 -","- C2112 H1728 Cl96 O640 Zr192 -","16","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1265","0.1039","","","0.284","0.3133","","","","","","1.024","","","","has coordinates,has disorder","253524","2020-10-21","18:00:00",""
"4003607","18.8649","0.0006","28.885","0.0008","23.944","0.0008","90","","105.667","0.002","90","","12562.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H92 F6 O28 S2 Zr6 -","- C100 H92 F6 O28 S2 Zr6 -","- C400 H368 F24 O112 S8 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0754","0.0577","","","0.1565","0.1768","","","","","","1.052","","","","has coordinates","253525","2020-10-21","18:00:00",""
"4003608","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","253526","2020-10-21","18:00:00",""
"4003609","16.4279","0.0009","16.4279","0.0009","21.9721","0.0019","90","","90","","120","","5135.3","0.6","150","2","150","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C66 H57 Cl2 F3 O20 Zr6 -","- C66 H57 Cl2.0001 F3 O20 Zr6 -","- C132 H114 Cl4.0002 F6 O40 Zr12 -","2","0.166667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0898","0.0885","","","0.2477","0.2514","","","","","","1.277","","","","has coordinates,has disorder","253527","2020-10-21","18:00:00",""
"4003610","28.0148","0.0007","28.0148","0.0007","39.6287","0.001","90","","90","","90","","31101.8","1.4","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C132 H108 Cl4 O40 Zr12 -","- C131 H108 Cl4 O40 Zr12 -","- C524 H432 Cl16 O160 Zr48 -","4","0.125","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1463","0.1212","","","0.3957","0.4501","","","","","","2.061","","","","has coordinates,has disorder","253528","2020-10-21","18:00:00",""
"4003611","15.0641","0.0004","23.6781","0.0006","21.9714","0.0005","90","","96.323","0.001","90","","7789.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 O20 Zr6 -","- C42 H42 Cl2 O20 Zr6 -","- C168 H168 Cl8 O80 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1756","0.157","","","0.4714","0.5024","","","","","","2.359","","","","has coordinates,has disorder","253529","2020-10-21","18:00:00",""
"4003612","48.54","0.003","48.54","0.003","48.54","0.003","90","","90","","90","","114367","12","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C192 H168 Cl4 O40 Zr12 -","- C192 H168 Cl4.0002 O40 Zr12 -","- C1536 H1344 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1832","0.1283","","","0.3596","0.422","","","","","","1.449","","","","has coordinates,has disorder","253530","2020-10-21","18:00:00",""
"4003613","11.9388","0.0005","4.1112","0.0002","12.5095","0.0005","90","","90","","90","","614","0.05","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl3 Cu K2 -","- Cl3 Cu K2 -","- Cl12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0264","0.0215","","","0.047","0.0498","","","","","","1.006","","","","has coordinates","254121","2020-10-21","18:00:00",""
"4003614","12.5112","0.001","4.2939","0.0003","13.1645","0.001","90","","90","","90","","707.22","0.09","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br3 Cu K2 -","- Br3 Cu K2 -","- Br12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0464","0.0316","","","0.0658","0.0731","","","","","","1.009","","","","has coordinates","254122","2020-10-21","18:00:00",""
"4003615","11.694","0.0002","10.3459","0.0002","20.8452","0.0004","90","","90.626","0.002","90","","2521.81","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Cl Cu N -","- C28 H41 Cl Cu N -","- C112 H164 Cl4 Cu4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0622","0.0457","","","0.1116","0.1191","","","","","","1.022","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003616","18.4735","0.0004","10.151","0.0002","19.3448","0.0004","90","","90","","90","","3627.62","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H51 Cl2 Cu N2 -","- C41 H51 Cl2 Cu N2 -","- C164 H204 Cl8 Cu4 N8 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.073","0.0541","","","0.129","0.1368","","","","","","1.031","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003617","10.0759","0.0002","11.7337","0.0002","21.2836","0.0003","90","","90.14","0.001","90","","2516.3","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Ag Cl N -","- C28 H41 Ag Cl N -","- C112 H164 Ag4 Cl4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0304","0.0269","","","0.0679","0.0694","","","","","","1.054","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003618","10.5956","0.0006","16.5409","0.0006","12.0346","0.0011","90","","110.128","0.008","90","","1980.4","0.2","140","0.5","140","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 Au Cl4 N2 -","- C42 H53 Au Cl4 N2 -","- C84 H106 Au2 Cl8 N4 -","2","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","","0.71073","MoKα","","0.036","0.0315","","","0.0684","0.0709","","","","","","1.02","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003619","9.9277","0.0007","10.1798","0.0005","23.3955","0.0014","90","","96.004","0.006","90","","2351.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cl Cu N -","- C24 H37 Cl Cu N -","- C96 H148 Cl4 Cu4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0635","0.0517","","","0.1199","0.1256","","","","","","1.035","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003620","31.1356","0.0013","13.3923","0.0005","16.9072","0.0007","90","","102.687","0.004","90","","6877.8","0.5","140","2","140","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Cu N2 -","- C36 H45 Cu N2 -","- C288 H360 Cu8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","","0.71073","MoKα","","0.0543","0.0387","","","0.0989","0.1063","","","","","","1.045","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003621","30.8829","0.0005","13.4632","0.0002","17.0861","0.0003","90","","103.783","0.002","90","","6899.5","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Ag N2 -","- C36 H45 Ag N2 -","- C288 H360 Ag8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0376","0.0362","","","0.0839","0.0845","","","","","","1.184","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003622","31.0559","0.0006","13.3859","0.0002","16.9937","0.0003","90","","103.148","0.002","90","","6879.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Au N2 -","- C36 H45 Au N2 -","- C288 H360 Au8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0347","0.0262","","","0.0622","0.0644","","","","","","1.054","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003623","13.9195","0.0004","22.9952","0.0007","15.6794","0.0005","90","","111.624","0.002","90","","4665.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C111 H116 Cl6 N2 O6 -","- C111 H116 Cl6 N2 O6 -","- C222 H232 Cl12 N4 O12 -","2","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.115","0.0831","","","0.2222","0.2442","","","","","","1.043","","","","has coordinates,has disorder","254236","2020-10-21","18:00:00",""
"4003624","19.1734","0.0007","11.1174","0.0004","19.4307","0.0008","90","","104.399","0.001","90","","4011.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H86 Cl4 N2 O6 -","- C104 H86 Cl4 N2 O6 -","- C208 H172 Cl8 N4 O12 -","2","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","0.71073","MoKα","","0.0771","0.0554","","","0.1398","0.1538","","","","","","1.021","","","","has coordinates,has disorder","254237","2020-10-21","18:00:00",""
"4003625","14.8795","0.0004","15.7293","0.0004","15.7945","0.0004","71.769","0.001","62.062","0.001","87.071","0.001","3081.71","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H158 N2 O6 -","- C132 H158 N2 O6 -","- C132 H158 N2 O6 -","1","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0804","0.0734","","","0.1925","0.1985","","","","","","1.034","","","","has coordinates,has disorder","254238","2020-10-21","18:00:00",""
"4003626","9.8063","0.0003","12.4776","0.0005","16.8828","0.0006","73.943","0.002","84.236","0.002","70.453","0.002","1870.69","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H46 N2 O5 -","- C48 H46 N2 O5 -","- C96 H92 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0771","0.0584","","","0.1581","0.1752","","","","","","1.019","","","","has coordinates","254239","2020-10-21","18:00:00",""
"4003627","12.0932","0.0007","14.5751","0.0009","17.0408","0.001","72.281","0.003","70.244","0.003","87.08","0.003","2688.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 Cl2 N2 O5 -","- C70 H58 Cl2 N2 O5 -","- C140 H116 Cl4 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.052","0.0452","","","0.1203","0.1259","","","","","","1.027","","","","has coordinates","254240","2020-10-21","18:00:00",""
"4003628","12.1149","0.0011","14.7691","0.0014","16.9963","0.0016","70.135","0.003","69.703","0.004","86.331","0.003","2677.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H56 N2 O5 -","- C69 H56 N2 O5 -","- C138 H112 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0575","0.047","","","0.123","0.1338","","","","","","1.033","","","","has coordinates,has disorder","254241","2020-10-21","18:00:00",""
"4003629","6.8852","0.0005","7.26","0.0005","14.7694","0.0009","90","","97.2854","0.0019","90","","732.31","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Bi3 F O14 Se5 -","- Bi3 F O14 Se5 -","- Bi6 F2 O28 Se10 -","2","1","","Chung, Jee Yoon; Jo, Hongil; Yeon, Seongbeom; Byun, Hye Ryung; You, Tae-Soo; Jang, Joon I.; Ok, Kang Min","Bi3(SeO3)3(Se2O5)F: A Polar Bismuth Selenite Fluoride with Polyhedra of Highly Distortive Lone Pair Cations and Strong Second-Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02167","","","0.71073","MoKα","","0.0344","0.034","","","0.0873","0.0876","","","","","","1.089","","","","has coordinates","254316","2020-10-21","18:00:00",""
"4003630","29.824","0.007","12.296","0.002","22.185","0.004","90","","111.789","0.002","90","","7554","3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C320 H400 Br16 O64 -","8","2","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.6525","","","0.0999","0.0907","","","0.2364","0.2426","","","","","","1.107","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003631","18.775","0.003","12.5243","0.0019","16.115","0.003","90","","92.208","0.006","90","","3786.5","1.1","173","2","172.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C160 H200 Br8 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1542","0.0622","","","0.1428","0.1918","","","","","","0.953","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003632","15.3015","0.0005","22.8272","0.0006","18.6041","0.0005","90","","110.21","0.001","90","","6098.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1274","0.0757","","","0.1864","0.2308","","","","","","1.014","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003633","18.2924","0.0007","23.5585","0.0008","59.258","0.002","90","","90","","90","","25536.7","1.6","170","2","170.02","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C72 H78 F6 O8 Sb -","- C72 H78 F6 O8 Sb -","- C1152 H1248 F96 O128 Sb16 -","16","0.5","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.1524","0.0876","","","0.2448","0.2937","","","","","","1.024","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003634","14.4186","0.0006","26.1598","0.001","16.3989","0.0007","90","","107.052","0.003","90","","5913.5","0.4","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.2423","0.0974","","","0.2286","0.3278","","","","","","0.98","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003635","7.1711","0.001","7.1711","0.001","11.7115","0.0017","90","","90","","120","","521.57","0.13","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- F6 Ga3 O6 Rb Se2 -","- F6 Ga3 O6 Rb Se2 -","- F12 Ga6 O12 Rb2 Se4 -","2","0.166667","","Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01971","","","0.71073","MoKα","","0.0374","0.0364","","","0.0951","0.0959","","","","","","1.096","","","","has coordinates","254353","2020-10-21","18:00:00",""
"4003636","7.1876","0.0005","7.1876","0.0005","11.8681","0.0009","90","","90","","120","","530.98","0.07","273","2","273","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Cs F6 Ga3 O6 Se2 -","- Cs F6 Ga3 O6 Se2 -","- Cs2 F12 Ga6 O12 Se4 -","2","0.166667","","Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01971","","","0.71073","MoKα","","0.0429","0.0406","","","0.1317","0.1337","","","","","","1.093","","","","has coordinates","254354","2020-10-21","18:00:00",""
"4003637","6.061","0.002","6.982","0.003","7.872","0.004","102.22","0.03","112.619","0.019","104.02","0.017","280.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Al3 Be N5 Sr2 -","- Al3 Be N5 Sr2 -","- Al6 Be2 N10 Sr4 -","2","1","","Elzer, Eugenia; Strobel, Philipp; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","Illuminating Nitridoberylloaluminates: The Highly Efficient Red-Emitting Phosphor Sr2[BeAl3N5]:Eu2+","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02037","","","0.71073","MoKα","","0.072","0.0366","","","0.057","0.0644","","","","","","1.004","","","","has coordinates","254483","2020-10-21","18:00:00",""
"4003638","7.4132","0.0008","7.5123","0.0007","10.9503","0.0015","90","","105.547","0.012","90","","587.51","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba2 H I3 Mo O13 -","- Ba2 H I3 Mo O13 -","- Ba4 H2 I6 Mo2 O26 -","2","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Tang, Ru-Ling; Chen, Jin; Fang, Zhi; Li, Bingxuan; Mao, Jiang-Gao","Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02657","","","0.71073","MoKα","","0.0621","0.059","","","0.1433","0.1479","","","","","","1.071","","","","has coordinates","254556","2020-10-21","18:00:00",""
"4003639","42.4115","0.0007","42.4115","0.0007","42.4115","0.0007","90","","90","","90","","76287","2","120","","120","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- C360 O91 Zn28 -","- C360 O91 Zn28 -","- C360 O91 Zn28 -","1","0.0416667","","Dong, Jinqiao; Shen, Pingchuan; Ying, Shaoming; Li, Zi-Jian; Yuan, Yi Di; Wang, Yuxiang; Zheng, Xiaoyan; Peh, Shing Bo; Yuan, Hongye; Liu, Guoliang; Cheng, Youdong; Pan, Yutong; Shi, Leilei; Zhang, Jian; Yuan, Daqiang; Liu, Bin; Zhao, Zujin; Tang, Ben Zhong; Zhao, Dan","Aggregation-Induced Emission-Responsive Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02277","","","1.54184","CuKα","","0.1031","0.0858","","","0.2157","0.2448","","","","","","1.068","","","","has coordinates","254601","2020-10-21","18:00:00",""
"4003640","7.8784","0.0005","13.2904","0.001","11.1831","0.0009","90","","93.449","0.006","90","","1168.83","0.15","120.01","0.1","120.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 B10 O2 S -","- C3 H12 B10 O2 S -","- C12 H48 B40 O8 S4 -","4","1","","Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.","Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02722","","x-ray","1.54184","CuKα","","0.0473","0.0362","","","0.0895","0.0966","","","","1.29","1.29","1.22","","","","has coordinates","254602","2020-10-21","18:00:00",""
"4003641","32.2102","0.0004","6.9016","0.0001","23.2398","0.0005","90","","119.708","0.0016","90","","4487.21","0.15","120","0.1","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 B20 O4 S2 -","- C6 H24 B20 O4 S2 -","- C48 H192 B160 O32 S16 -","8","1","","Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.","Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02722","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.1149","0.1173","","","","2.34","2.34","2.29","","","","has coordinates","254603","2020-10-21","18:00:00",""
"4003642","7.9115","0.001","7.9115","0.001","23.385","0.003","90","","90","","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C H6 Au Br3 N -","- C H6 Au Br3 N -","- C8 H48 Au8 Br24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0526","0.0292","","","0.0509","0.0574","","","","","","1.028","","","","has coordinates","254654","2020-10-21","18:00:00",""
"4003643","8.3537","0.0004","8.3537","0.0004","24.6556","0.0014","90","","90","","90","","1720.57","0.15","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C H6 Au I3 N -","- C H6 Au I3 N -","- C8 H48 Au8 I24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0277","0.0249","","","0.0507","0.052","","","","","","1.081","","","","has coordinates","254655","2020-10-21","18:00:00",""
"4003644","10.009","0.004","16.663","0.008","14.61","0.006","90","","106.65","0.03","90","","2334.5","1.8","100","2","100.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H16 Cl2.667 N12 Zn3.267 -","- C24 H16 Cl2.66667 N12 Zn3.26667 -","- C72 H48 Cl8 N36 Zn9.8 -","3","0.75","","Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.","Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework","Chemistry of Materials","2020","32","16","6998","7004","10.1021/acs.chemmater.0c02373","","","1.54184","CuKα","","0.0973","0.084","","","0.232","0.2464","","","","","","1.0994","","","","has coordinates","257101","2020-10-21","18:00:00",""
"4003645","8.98497","0.0001","9.07444","0.00007","15.61097","0.00016","105.583","0.0008","90.9628","0.0009","118.507","0.001","1061.45","0.02","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0379","0.0376","","","0.0977","0.0979","","","","","","1.083","","","","has coordinates","255175","2020-10-21","18:00:00",""
"4003646","8.98254","0.00009","9.07534","0.00007","15.60122","0.00014","105.584","0.0007","90.9564","0.0007","118.517","0.0009","1060.52","0.02","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0375","0.0372","","","0.0977","0.098","","","","","","1.087","","","","has coordinates","255176","2020-10-21","18:00:00",""
"4003647","8.96306","0.00008","9.07862","0.00007","15.52776","0.00014","105.576","0.0007","90.8937","0.0007","118.56","0.0009","1053.43","0.019","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0338","0.0334","","","0.0884","0.0887","","","","","","1.095","","","","has coordinates","255177","2020-10-21","18:00:00",""
"4003648","8.97733","0.00008","9.07673","0.00007","15.5804","0.00014","105.581","0.0007","90.9377","0.0007","118.529","0.0008","1058.61","0.019","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0355","0.0352","","","0.0923","0.0925","","","","","","1.104","","","","has coordinates","255178","2020-10-21","18:00:00",""
"4003649","8.99093","0.00008","9.06819","0.00008","15.64192","0.00014","105.595","0.0008","91.0079","0.0007","118.5","0.0009","1063.35","0.02","310","2","310","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0428","0.0424","","","0.1089","0.1093","","","","","","1.067","","","","has coordinates","255179","2020-10-21","18:00:00",""
"4003650","8.99336","0.00008","9.06691","0.00008","15.65427","0.00014","105.6","0.0008","91.0186","0.0008","118.496","0.0009","1064.3","0.02","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0454","0.0449","","","0.1166","0.117","","","","","","1.045","","","","has coordinates","255180","2020-10-21","18:00:00",""
"4003651","8.97224","0.00008","9.07775","0.00007","15.56056","0.00014","105.578","0.0007","90.9202","0.0007","118.54","0.0009","1056.74","0.019","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.037","0.0367","","","0.0979","0.0982","","","","","","1.094","","","","has coordinates","255181","2020-10-21","18:00:00",""
"4003652","8.96756","0.00008","9.07834","0.00007","15.54301","0.00013","105.576","0.0007","90.907","0.0007","118.551","0.0008","1055.01","0.019","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0371","0.0367","","","0.0981","0.0984","","","","","","1.076","","","","has coordinates","255182","2020-10-21","18:00:00",""
"4003653","8.98838","0.00008","9.06949","0.00008","15.62933","0.00014","105.589","0.0008","90.9969","0.0007","118.504","0.0009","1062.39","0.02","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.042","0.0417","","","0.1078","0.1081","","","","","","1.07","","","","has coordinates","255183","2020-10-21","18:00:00",""
"4003654","9.00382","0.00015","9.06181","0.00012","15.705","0.0002","105.617","0.0012","91.0614","0.0013","118.482","0.0015","1068.26","0.03","360","2","360","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0458","0.0455","","","0.1153","0.1155","","","","","","1.029","","","","has coordinates","255184","2020-10-21","18:00:00",""
"4003655","8.99858","0.0001","9.06439","0.00009","15.67955","0.00016","105.607","0.0009","91.0437","0.0009","118.488","0.0011","1066.28","0.02","340","2","340","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0464","0.0461","","","0.1194","0.1197","","","","","","1.048","","","","has coordinates","255185","2020-10-21","18:00:00",""
"4003656","6.01751","0.00003","6.01751","0.00003","6.01751","0.00003","90","","90","","90","","217.897","0.0019","293","","293","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Sn0.17 -","- Li2.335 P Sn0.1664 -","- Li9.34 P4 Sn0.6656 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.","Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02052","powder diffraction","X-rays","1.54056","CuKα~1~","","","","","","","","","1.0675","","","","","","","","has coordinates","255215","2020-10-21","18:00:00",""
"4003657","5.95667","0.00003","5.95667","0.00003","5.95667","0.00003","90","","90","","90","","211.354","0.0018","293","","293","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Ge0.17 Li2.33 P -","- Ge0.1658 Li2.334 P -","- Ge0.6632 Li9.336 P4 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.","Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02052","powder diffraction","X-rays","1.54056","CuKα~1~","","","","","","","","","1.5216","","","","","","","","has coordinates","255216","2020-10-21","18:00:00",""
"4003658","27.953","0.004","27.953","","9.9004","0.0019","90","","90","","120","","6699.5","1.6","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La41.44 Mo7.56 O85.12 -","- La41.4436 Mo7.55644 O85.1211 -","- La124.331 Mo22.6693 O255.363 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.04363","","3.18","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003659","20.4941","0.0022","20.4941","","9.5181","0.0011","90","","90","","120","","3462.1","0.5","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La21.17 Mo3.83 O44.88 -","- La21.1668 Mo3.8332 O44.8842 -","- La63.5004 Mo11.4996 O134.653 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.0654","","2.7","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003660","11.8809","0.0007","20.2321","0.0012","8.0349","0.0004","90","","90","","90","","1931.39","0.19","271.5","0.3","271.5","0.3","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0758","0.0533","","","0.1273","0.1337","","","","","","1.014","","","","has coordinates","255322","2020-10-21","18:00:00",""
"4003661","11.962","0.0008","20.4349","0.0015","8.0383","0.0005","90","","90","","90","","1964.9","0.2","383","2","383","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0567","0.0469","","","0.1243","0.1309","","","","","","1.02","","","","has coordinates","255323","2020-10-21","18:00:00",""
"4003662","8.2106","0.0003","8.2106","0.0003","8.2106","0.0003","90","","90","","90","","553.51","0.04","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Mn O6 Te -","- Ba2 Mn0.99976 O5.99952 Te0.99976 -","- Ba8 Mn3.99904 O23.9981 Te3.99904 -","4","0.0208333","","Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.","Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02971","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","2.3373","1.9552","","","","","","","has coordinates","255324","2020-10-21","18:00:00",""
"4003663","8.2066","0.0003","8.2066","0.0003","8.2066","0.0003","90","","90","","90","","552.7","0.03","2","","2","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Mn O6 Te -","- Ba2 Mn0.99976 O5.99952 Te0.99976 -","- Ba8 Mn3.99904 O23.9981 Te3.99904 -","4","0.0208333","","Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.","Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02971","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","2.5121","3.5355","","","","","","","has coordinates","255325","2020-10-21","18:00:00",""
"4003664","28.104","0.007","4.9819","0.0015","15.811","0.006","90","","92.016","0.027","90","","2212.3","1.2","300","","300","","","","100","","","","","5","P 1 21 1","P 2yb","4","Fmoc-pentafluoro-L-phenylalanine","(S)-2-(Fmoc-amino)-3-(pentafluorophenyl)propionic acid","","- C48 H32 F10 N2 O8 -","- C48 H32 F10 N2 O8 -","- C96 H64 F20 N4 O16 -","2","1","","Cohen-Gerassi, Dana; Arnon, Zohar A.; Guterman, Tom; Levin, Aviad; Ghosh, Moumita; Aviv, Moran; Levy, Davide; Knowles, Tuomas P. J.; Shacham-Diamand, Yosi; Adler-Abramovich, Lihi","Phase Transition and Crystallization Kinetics of a Supramolecular System in a Microfluidic Platform","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02187","powder diffraction","x-ray","1.5405","CuKα~1,2~","","","","","","0.09958","","0.29649","","31.967","","","","","","","has coordinates","255409","2020-10-21","18:00:00",""
"4003665","13.096","0.01","5.955","0.004","7.727","0.006","90","","92.877","0.012","90","","601.8","0.8","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 O9 Rb2 Se3 -","- Bi2 F2 O9 Rb2 Se3 -","- Bi4 F4 O18 Rb4 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.0354","0.0328","","","0.0605","0.0617","","","","","","1.025","","","","has coordinates","255834","2020-10-21","18:00:00",""
"4003666","12.8396","0.0005","5.8831","0.0003","7.6506","0.0003","90","","93.076","0.003","90","","577.07","0.04","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 K2 O9 Se3 -","- Bi2 F2 K2 O9 Se3 -","- Bi4 F4 K4 O18 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.045","0.0449","","","0.1132","0.1134","","","","","","1.019","","","","has coordinates","255835","2020-10-21","18:00:00",""
"4003667","13.0676","0.0002","7.8387","0.0001","6.2164","0.0001","90","","90","","90","","636.764","0.016","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ge Li2 S4 Zn -","- Ge Li2 S4 Zn -","- Ge4 Li8 S16 Zn4 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Rosmus, Kimberly A.; Grima, Pedro; Lekse, Jonathan W.; Jang, Joon I.; Aitken, Jennifer A.","α-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02929","","","0.71073","MoKα","","0.0394","0.0381","","","0.096","0.0977","","","","","","1.065","","","","has coordinates","255836","2020-10-21","18:00:00",""
"4003668","35.45","0.004","5.4065","0.0006","5.3466","0.0006","90","","94.108","0.011","90","","1022.1","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0925","0.0772","","","0.208","0.2256","","","","","","1.105","","","","has coordinates","255837","2020-10-21","18:00:00",""
"4003669","35.47","0.002","5.4017","0.0003","5.3432","0.0003","90","","94.15","0.005","90","","1021.06","0.1","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0507","0.0503","","","0.1356","0.1362","","","","","","1.047","","","","has coordinates","255838","2020-10-21","18:00:00",""
"4003670","7.8788","0.0016","10.497","0.002","12.678","0.003","75.92","0.03","75.11","0.03","68.82","0.03","931.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H19 I3 N4 O2 Pb -","- C7 H19 I3 N4 O2 Pb -","- C14 H38 I6 N8 O4 Pb2 -","2","1","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.0592","0.0537","","","0.1263","0.1303","","","","","","0.951","","","","has coordinates","256266","2020-10-21","18:00:00",""
"4003671","22.334","0.005","12.933","0.003","11.629","0.002","90","","90","","90","","3359","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C4 H16 Br4 N4 O Pb S -","- C4 H16 Br4 N4 O Pb S -","- C32 H128 Br32 N32 O8 Pb8 S8 -","8","2","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.0616","0.0566","","","0.1339","0.1399","","","","","","0.821","","","","has coordinates","256267","2020-10-21","18:00:00",""
"4003672","26.77","0.003","26.77","0.003","14.86","0.002","90","","90","","120","","9222.4","1.9","100","2","100","2","","","","","","","","5","P -6","P -6","174","","","","- C15 H75 I27 N30 Pb6 -","- C15 H75 I27 N30 Pb6 -","- C45 H225 I81 N90 Pb18 -","3","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.151","0.123","","","0.2654","0.2866","","","","","","1.049","","","","has coordinates,has disorder","256268","2020-10-21","18:00:00",""
"4003673","40.2","0.008","45.72","0.009","4.58","0.0009","90","","90","","90","","8418","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H38 I8 N8 O4 Pb3 -","- C14 H38 I8 N8 O4 Pb3 -","- C112 H304 I64 N64 O32 Pb24 -","8","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.048","0.0445","","","0.1014","0.1036","","","","","","0.849","","","","has coordinates","256269","2020-10-21","18:00:00",""
"4003674","9.696","0.002","14.231","0.003","14.463","0.003","61.9","0.03","80.4","0.01","81.798","0.01","1731","0.8","338","","338.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0993","0.0669","","","0.1744","0.1976","","","","","","1.028","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003675","12.0252","0.0007","11.2377","0.0008","12.8272","0.0007","90","","107.647","0.005","90","","1651.84","0.18","293","2","292.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","K-L~3~","0.046","0.0435","","","0.1264","0.1298","","","","","","1.042","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003676","10.6975","0.0018","15.393","0.003","13.243","0.002","90","","106.48","0.012","90","","2091.1","0.6","400","","400","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.101","0.0938","","","0.3217","0.3423","","","","","","1.513","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003677","10.8057","0.001","15.6397","0.0011","12.2854","0.0012","90","","103.71","0.007","90","","2017.1","0.3","292.95","","292.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.0471","0.0451","","","0.1331","0.1358","","","","","","1.053","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003678","11.905","0.004","10.908","0.003","12.779","0.004","90","","106.98","0.009","90","","1587.1","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0449","0.0382","","","0.1017","0.1076","","","","","","1.033","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003679","11.435","0.004","12.244","0.004","12.327","0.004","75.535","0.016","89.055","0.016","84.774","0.019","1664.2","1","250","","250.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0673","0.0463","","","0.1141","0.1252","","","","","","1.037","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003680","10.567","0.003","10.408","0.003","14.788","0.004","90","","95.028","0.012","90","","1620.1","0.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nifedipine","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","0.71073","MoKα","","0.037","0.0355","","","0.0981","0.0994","","","","","","1.061","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003681","10.784","0.006","15.647","0.01","11.918","0.007","90","","102.459","0.014","90","","1964","2","100.01","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0403","","","0.1085","0.1138","","","","","","1.064","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003682","11.4502","0.0005","12.3005","0.0006","12.3562","0.0008","75.627","0.01","89.094","0.006","84.933","0.007","1679.19","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O5.9995 -","- C68 H72 N8 O23.998 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0474","0.0438","","","0.1181","0.1216","","","","","","1.036","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003683","10.929","0.003","10.304","0.004","14.812","0.005","90","","93.166","0.017","90","","1665.5","1","297","2","297.44","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0868","0.0473","","","0.1076","0.1255","","","","","","1.031","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003684","19.065","0.006","11.506","0.004","15.109","0.005","90","","108.962","0.018","90","","3134.5","1.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0613","0.0576","","","0.1581","0.1603","","","","","","1.129","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003685","25.1726","0.0018","25.1726","0.0018","36.76","0.003","90","","90","","90","","23293","3","250","","250","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Ce38 O33.33 -","- Ce38 O33.3332 -","- Ce76 O66.6664 -","2","0.25","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","x-ray","1.54178","CuKα","","0.4172","0.3723","","","0.7872","0.8067","","","","","","3.644","","","","has coordinates","256461","2020-10-21","18:00:00",""
"4003686","23.2865","0.0008","23.2865","0.0008","34.8183","0.0014","90","","90","","90","","18880.6","1.2","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C114 H80 Ce38 O114 -","- C114 H80 Ce38 O114 -","- C228 H160 Ce76 O228 -","2","0.125","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","","0.71073","MoKα","","0.1589","0.1092","","","0.3307","0.4052","","","","","","1.329","","","","has coordinates","256462","2020-10-21","18:00:00",""
"4003687","16.79","0.002","8.0795","0.0011","7.7649","0.0011","90","","90","","90","","1053.3","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0126","0.0124","","","0.0299","0.0299","","","","","","1.082","","","","has coordinates","256742","2020-10-21","18:00:00",""
"4003688","6.741","0.016","16.67","0.04","9.65","0.02","90","","90","","90","","1084","4","363","2","363","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.2715","0.0976","","","0.2399","0.343","","","","","","1.005","","","","has coordinates,has disorder","256743","2020-10-21","18:00:00",""
"4003689","16.942","0.004","8.202","0.002","7.811","0.002","90","","90","","90","","1085.4","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0178","0.0169","","","0.0376","0.0382","","","","","","1.153","","","","has coordinates","256744","2020-10-21","18:00:00",""
"4003690","8.9377","0.0003","9.8247","0.0004","9.1683","0.0003","90","","106.746","0.001","90","","770.93","0.05","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba Bi O14 P4 Rb3 -","- Ba Bi O14 P4 Rb3 -","- Ba2 Bi2 O28 P8 Rb6 -","2","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0316","0.0261","","","0.0535","0.0545","","","","","","0.981","","","","has coordinates","256808","2020-10-21","18:00:00",""
"4003691","9.4656","0.0003","9.9015","0.0003","17.6265","0.0006","90","","90","","90","","1652.02","0.09","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Bi Cs3 O14 P4 -","- Ba Bi Cs3 O14 P4 -","- Ba4 Bi4 Cs12 O56 P16 -","4","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0258","0.0211","","","0.0385","0.0394","","","","","","0.907","","","","has coordinates","256809","2020-10-21","18:00:00",""
"4003692","8.0618","0.0005","7.8928","0.0004","19.7697","0.0012","90","","101.734","0.002","90","","1231.66","0.12","200","2","199.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0394","0.0358","","","0.0748","0.0764","","","","","","1.061","","","","has coordinates","258232","2020-10-21","18:00:00",""
"4003693","5.7059","0.0005","5.7059","0.0005","40.293","0.006","90","","90","","90","","1311.8","0.3","400","2","400.15","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.0625","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0835","0.0545","","","0.1524","0.1703","","","","","","1.094","","","","has coordinates,has disorder","258233","2020-10-21","18:00:00",""
"4003694","8.0589","0.0009","8.0388","0.0009","19.876","0.002","90","","101.719","0.004","90","","1260.8","0.2","298","2","298.02","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0884","0.056","","","0.1347","0.1478","","","","","","1.066","","","","has coordinates,has disorder","258234","2020-10-21","18:00:00",""
"4003695","11.4701","0.0004","11.2676","0.0004","10.4804","0.0004","90","","90","","90","","1354.49","0.08","293","","293","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ga3 La2 O7.5 -","- Ga3 La2 O7.5 -","- Ga24 La16 O60 -","8","1","","Fan, Jintai; Sarou-Kanian, Vincent; Yang, Xiaoyan; Diaz-Lopez, Maria; Fayon, Franck; Kuang, Xiaojun; Pitcher, Michael J.; Allix, Mathieu","La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt","Chemistry of Materials","2020","32","20","9016","9025","10.1021/acs.chemmater.0c03441","powder diffraction","x-ray","0.41273","","","0.019","0.019","","0.0239","0.0239","","","","1.75","","","","","","","has coordinates","258706","2020-11-04","01:19:33",""
"4003696","16.7728","0.0014","24.4188","0.0019","21.8661","0.0017","90","","91.092","0.004","90","","8954.1","1.2","230","2","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H81 Ag2.91 Au9.59 S9 -","- C78 H81 Ag2.907 Au9.593 S9 -","- C312 H324 Ag11.628 Au38.372 S36 -","4","1","","Li, Yingwei; Biswas, Saborni; Luo, Tian-Yi; Juarez-Mosqueda, Rosalba; Taylor, Michael G.; Mpourmpakis, Giannis; Rosi, Nathaniel L.; Hendrich, Michael P.; Jin, Rongchao","Doping Effect on the Magnetism of Thiolate-Capped 25-Atom Alloy Nanoclusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02984","","x-ray","1.54178","CuKα","","0.0507","0.0417","","","0.1111","0.1178","","","","","","1.051","","","","has coordinates","258531","2020-10-21","22:21:34",""
"4003697","4.7896","0.0002","50.055","0.003","6.505","0.0004","90","","105.331","0.007","90","","1504.03","0.15","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H28 N4 O4 -","- C40 H28 N4 O4 -","- C80 H56 N8 O8 -","2","1","","Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro","Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01888","","","1.54187","CuKα","","0.0983","0.0699","","","0.1682","0.2017","","","","","","0.928","","","","has coordinates","258560","2020-10-22","22:31:56",""
"4003698","7.7598","0.0004","4.7937","0.0003","35.5839","0.0019","90","","94.412","0.007","90","","1319.73","0.13","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 O4 -","- C36 H20 N4 O4 -","- C72 H40 N8 O8 -","2","0.5","","Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro","Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01888","","","1.54187","CuKα","","0.1715","0.0851","","","0.2029","0.2688","","","","","","1.038","","","","has coordinates","258561","2020-10-22","22:32:19",""
"4003699","6.0482","0.0004","13.5208","0.0008","19.2871","0.0012","90","","95.364","0.002","90","","1570.32","0.17","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Pt -","- C16 H30 Pt -","- C64 H120 Pt4 -","4","0.5","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0119","0.0118","","","0.0303","0.0304","","","","","","1.21","","","","has coordinates","258615","2020-10-27","23:20:23",""
"4003700","5.8662","0.0003","21.5914","0.0011","22.3599","0.001","90","","91.6292","0.0015","90","","2830.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Pt -","- C14 H26 Pt -","- C112 H208 Pt8 -","8","2","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0157","0.0142","","","0.029","0.0293","","","","","","1.169","","","","has coordinates","258616","2020-10-27","23:20:49",""
"4003701","9.717","0.0004","11.9545","0.0005","13.2835","0.0006","90","","110.537","0.0015","90","","1444.97","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 Br Pt -","- C14 H23 Br Pt -","- C56 H92 Br4 Pt4 -","4","2","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0227","0.0189","","","0.0325","0.0335","","","","","","1.07","","","","has coordinates","258617","2020-10-27","23:21:11",""
"4003702","6.2341","0.0002","10.3493","0.0003","18.936","0.0006","90","","92.5422","0.0008","90","","1220.52","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Pt -","- C12 H22 Pt -","- C48 H88 Pt4 -","4","1","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.03","0.0278","","","0.0693","0.0703","","","","","","1.23","","","","has coordinates","258618","2020-10-27","23:21:34",""
"4003703","18.3933","0.0006","9.0744","0.0003","11.3108","0.0004","90","","104.951","0.001","90","","1823.95","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Pt -","- C20 H34 Pt -","- C80 H136 Pt4 -","4","0.5","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0195","0.0172","","","0.0367","0.0374","","","","","","1.125","","","","has coordinates","258619","2020-10-27","23:21:58",""
"4003704","12.3556","0.0012","11.0024","0.0011","7.2861","0.0007","90","","90","","90","","990.48","0.17","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0394","0.039","","","0.1013","0.1016","","","","","","1.093","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003705","12.5605","0.0007","11.0264","0.0006","7.2858","0.0006","90","","90","","90","","1009.06","0.11","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0249","0.0235","","","0.0559","0.0568","","","","","","1.053","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003706","3.9063","0.0002","3.9063","0.0002","10.436","0.0009","90","","90","","90","","159.245","0.018","299","2","299.19","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cu4.23 Rb S2 Te -","- Cu4.232 Rb S2 Te -","- Cu4.232 Rb S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0211","0.0173","","","0.0336","0.0343","","","","","","1.133","","","","has coordinates","259173","2020-11-18","23:20:31",""
"4003707","3.889","0.003","3.889","0.003","10.269","0.008","90","","90","","90","","155.3","0.2","300","","300","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cu4.22 K S2 Te -","- Cu4.223 K S2 Te -","- Cu4.223 K S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0195","0.0169","","","0.03","0.0306","","","","","","1.146","","","","has coordinates","259174","2020-11-18","23:20:53",""
"4003708","3.9443","0.0005","3.9443","0.0005","10.689","0.003","90","","90","","90","","166.29","0.06","300","","300","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cs Cu4.17 S2 Te -","- Cs Cu4.173 S2 Te -","- Cs Cu4.173 S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0153","0.0151","","","0.039","0.0392","","","","","","1.164","","","","has coordinates","259175","2020-11-18","23:21:12",""
"4003709","18.117","0.018","3.937","0.004","9.982","0.01","90","","102.542","0.017","90","","695","1.2","300","2","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu8 K3 S4 Te2 -","- Cu8 K3 S4 Te2 -","- Cu16 K6 S8 Te4 -","2","0.25","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0977","0.0523","","","0.1071","0.1221","","","","","","1.006","","","","has coordinates","259176","2020-11-18","23:21:33",""
"4003710","12.3109","0.0005","12.3269","0.0005","12.5501","0.0005","83.794","0.003","61.629","0.004","69.996","0.004","1571.27","0.13","150.03","0.11","150.03","0.11","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0687","0.0502","","","0.1222","0.1325","","","","","","1.063","","","","has coordinates","259217","2020-11-21","23:26:02",""
"4003711","12.3404","0.0005","12.3475","0.0005","12.5777","0.0005","61.702","0.004","83.854","0.003","70.058","0.004","1582.83","0.13","200.01","0.1","200.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.0693","0.0503","","","0.1206","0.1313","","","","","","1.064","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003712","12.352","0.001","12.3884","0.0009","12.6137","0.001","61.774","0.008","83.962","0.007","70.143","0.007","1595.9","0.3","250.01","0.1","250.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0727","0.0503","","","0.1176","0.1292","","","","","","1.055","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003713","12.3568","0.0007","12.3965","0.0006","12.6191","0.0007","61.777","0.005","83.979","0.004","70.163","0.005","1598.53","0.18","260.01","0.1","260.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0728","0.0498","","","0.1177","0.1297","","","","","","1.053","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003714","12.3669","0.0009","12.4054","0.0008","12.6172","0.0009","61.79","0.007","83.901","0.006","70.19","0.007","1601.4","0.2","270.01","0.1","270.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0731","0.0504","","","0.122","0.1343","","","","","","1.057","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003715","12.3619","0.001","12.4114","0.0009","12.6194","0.001","61.792","0.008","83.897","0.007","70.2","0.007","1602","0.3","280","0.1","280","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0746","0.0507","","","0.1218","0.1348","","","","","","1.062","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003716","12.3613","0.0008","12.4197","0.0007","12.6305","0.0008","61.795","0.006","83.89","0.005","70.211","0.006","1604.6","0.2","285","0.1","285","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0775","0.0524","","","0.1276","0.1415","","","","","","1.058","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003717","12.358","0.0006","12.4241","0.0006","12.6348","0.0006","61.798","0.005","83.948","0.004","70.235","0.005","1605.44","0.17","290","0.1","290","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.079","0.0533","","","0.1339","0.1492","","","","","","1.064","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003718","12.3576","0.0006","12.4308","0.0006","12.6413","0.0006","61.811","0.005","83.964","0.004","70.259","0.004","1607.51","0.16","295","0.1","295","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0819","0.055","","","0.1375","0.1531","","","","","","1.065","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003719","12.3576","0.0006","12.4403","0.0006","12.6515","0.0006","61.802","0.005","83.982","0.004","70.257","0.004","1609.84","0.16","300","0.1","300","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0846","0.0568","","","0.1411","0.1581","","","","","","1.058","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003720","12.3499","0.0006","12.4427","0.0006","12.6546","0.0006","61.797","0.005","84.006","0.004","70.277","0.004","1609.63","0.16","305","0.1","305","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0856","0.0571","","","0.1429","0.1596","","","","","","1.075","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003721","12.3453","0.0006","12.4515","0.0007","12.6638","0.0006","61.802","0.005","84.009","0.004","70.293","0.005","1611.59","0.17","310","0.1","310","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0884","0.059","","","0.1495","0.1672","","","","","","1.063","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003722","12.3403","0.0007","12.4634","0.0007","12.6799","0.0006","61.782","0.005","83.994","0.004","70.307","0.005","1614.4","0.18","315","0.1","315","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0905","0.0582","","","0.1429","0.1603","","","","","","1.049","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003723","12.3278","0.0007","12.4746","0.0007","12.6948","0.0007","61.776","0.005","84.004","0.004","70.311","0.005","1616.03","0.18","320","0.1","320","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0919","0.06","","","0.1475","0.1657","","","","","","1.068","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003724","12.3121","0.0007","12.4938","0.0007","12.7234","0.0007","61.748","0.006","83.986","0.004","70.332","0.005","1619.93","0.19","325","0.1","325","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0973","0.0608","","","0.1485","0.169","","","","","","1.052","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003725","12.274","0.0008","12.5196","0.0008","12.7656","0.0008","61.726","0.006","83.95","0.005","70.355","0.006","1623.6","0.2","330","0.1","330","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.103","0.0627","","","0.155","0.1789","","","","","","1.049","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003726","11.7635","0.001","12.716","0.0012","13.2423","0.0014","61.743","0.01","83.25","0.008","70.312","0.008","1640.7","0.3","335","0.1","335","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1964","0.0776","","","0.1792","0.2426","","","","","","0.96","","","","has coordinates","259217","2020-11-21","23:26:05",""
"4003727","11.742","0.004","12.726","0.006","13.244","0.008","61.97","0.06","83.7","0.05","70.4","0.04","1642.9","1.7","340","0.1","340.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.3859","0.1346","","","0.2872","0.4305","","","","","","0.894","","","","has coordinates","259217","2020-11-21","23:26:05",""
"4003728","12.3091","0.0008","12.3318","0.0007","12.5556","0.0008","83.814","0.005","61.692","0.006","70.031","0.006","1573.7","0.2","150.04","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.0795","0.0674","","","0.1769","0.1901","","","","","","1.054","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003729","12.3396","0.0006","12.3455","0.0007","12.5794","0.0007","61.758","0.006","83.839","0.004","70.09","0.004","1583.94","0.18","200.12","0.18","200.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0759","0.0605","","","0.1645","0.1802","","","","","","1.048","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003730","12.3506","0.0006","12.3765","0.0008","12.6006","0.0008","61.82","0.007","83.971","0.005","70.183","0.005","1593.7","0.2","250.13","0.19","250.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0804","0.0611","","","0.1615","0.1791","","","","","","1.073","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003731","12.3527","0.0004","12.3932","0.0004","12.6146","0.0005","61.837","0.004","83.951","0.003","70.212","0.003","1598.55","0.12","260.12","0.18","260.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0848","0.0651","","","0.1831","0.2079","","","","","","1.034","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003732","12.3546","0.0008","12.4019","0.0008","12.6211","0.0008","61.853","0.007","83.943","0.005","70.265","0.006","1601.6","0.2","270.12","0.18","270.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0813","0.0616","","","0.1632","0.1804","","","","","","1.078","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003733","12.3557","0.0008","12.409","0.0008","12.6301","0.0009","61.858","0.007","83.964","0.005","70.253","0.006","1603.7","0.2","280.13","0.19","280.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0824","0.0611","","","0.1661","0.1848","","","","","","1.089","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003734","12.3543","0.0007","12.4144","0.0008","12.6333","0.0008","61.848","0.007","83.983","0.005","70.265","0.005","1604.6","0.2","285.12","0.18","285.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.085","0.062","","","0.1649","0.1833","","","","","","1.077","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003735","12.3519","0.0006","12.4178","0.0008","12.6384","0.0008","61.849","0.006","84.019","0.005","70.287","0.005","1605.5","0.2","290","0.1","290","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0936","0.0668","","","0.1809","0.2113","","","","","","1.022","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003736","12.3518","0.0006","12.4273","0.0007","12.6453","0.0008","61.848","0.006","84.024","0.004","70.296","0.005","1607.67","0.19","295.12","0.18","295.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0846","0.0622","","","0.1696","0.1875","","","","","","1.077","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003737","12.3464","0.0006","12.4297","0.0008","12.6507","0.0008","61.839","0.006","84.038","0.005","70.31","0.005","1608","0.2","300.13","0.19","300.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0983","0.0692","","","0.1869","0.2186","","","","","","1.02","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003738","12.345","0.0006","12.4404","0.0008","12.6608","0.0008","61.851","0.006","84.06","0.005","70.327","0.005","1610.8","0.2","305.11","0.17","305.11","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1018","0.0703","","","0.1903","0.2265","","","","","","1.032","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003739","12.3393","0.0006","12.4487","0.0008","12.6703","0.0008","61.836","0.007","84.063","0.005","70.338","0.005","1612.2","0.2","310.11","0.16","310.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0966","0.0678","","","0.1877","0.2186","","","","","","1.05","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003740","12.3316","0.0006","12.4604","0.0008","12.6856","0.0009","61.826","0.007","84.054","0.005","70.356","0.005","1614.7","0.2","315.11","0.17","315.11","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0985","0.0671","","","0.1864","0.2229","","","","","","1.032","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003741","12.3204","0.0007","12.4737","0.0008","12.7049","0.0009","61.817","0.007","84.055","0.005","70.363","0.005","1617.3","0.2","320.12","0.18","320.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1112","0.0721","","","0.194","0.2397","","","","","","1.044","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003742","12.2986","0.0007","12.4901","0.0008","12.733","0.0009","61.801","0.007","84.024","0.005","70.382","0.006","1620.2","0.2","325.12","0.18","325.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetone solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1127","0.0707","","","0.1849","0.2209","","","","","","1.04","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003743","12.268","0.0017","12.561","0.002","12.796","0.002","61.832","0.019","83.988","0.014","70.362","0.016","1633.7","0.6","330.11","0.16","330.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2997","0.1375","","","0.3201","0.4574","","","","","","0.969","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003744","11.7995","0.0013","12.718","0.002","13.25","0.002","61.777","0.016","83.313","0.011","70.332","0.013","1647.6","0.5","335.11","0.16","335.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N5.5 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.229","0.0986","","","0.2564","0.3724","","","","","","0.912","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003745","11.839","0.002","12.711","0.003","13.24","0.003","61.98","0.02","83.451","0.019","70.26","0.02","1653.1","0.7","329.88","0.19","329.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.3241","0.1452","","","0.3365","0.4864","","","","","","0.978","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003746","12.2556","0.0016","12.498","0.002","12.774","0.002","61.82","0.018","84.034","0.013","70.369","0.014","1620.9","0.5","324.88","0.18","324.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2769","0.1265","","","0.3038","0.4401","","","","","","1.001","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003747","12.2925","0.0013","12.4694","0.0018","12.7203","0.0019","61.826","0.015","84.022","0.011","70.36","0.012","1615.3","0.5","319.89","0.17","319.89","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2498","0.1188","","","0.2871","0.4095","","","","","","0.947","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003748","12.3095","0.0012","12.4552","0.0016","12.69","0.0017","61.858","0.013","84.058","0.009","70.355","0.01","1612.2","0.4","314.88","0.19","314.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2187","0.1021","","","0.2576","0.3663","","","","","","0.954","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003749","12.3233","0.0012","12.4463","0.0017","12.6753","0.0018","61.872","0.014","84.076","0.01","70.331","0.011","1610.9","0.4","309.88","0.18","309.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2089","0.0955","","","0.247","0.348","","","","","","0.924","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003750","12.3242","0.0013","12.4292","0.0017","12.6654","0.0018","61.87","0.014","84.046","0.01","70.318","0.011","1607.4","0.4","304.88","0.19","304.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2247","0.1083","","","0.2692","0.383","","","","","","0.946","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003751","12.328","0.0012","12.4196","0.0015","12.6493","0.0016","61.88","0.013","84.069","0.009","70.309","0.01","1604.6","0.4","299.88","0.18","299.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2031","0.0955","","","0.2352","0.323","","","","","","0.95","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003752","12.3367","0.0012","12.4183","0.0016","12.6483","0.0017","61.869","0.014","84.077","0.01","70.289","0.011","1605.1","0.4","294.9","0.2","294.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2123","0.1007","","","0.2488","0.3442","","","","","","0.964","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003753","12.3384","0.0012","12.4127","0.0017","12.6478","0.0018","61.878","0.014","84.054","0.01","70.267","0.011","1604.4","0.4","289.88","0.18","289.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2267","0.109","","","0.2655","0.3793","","","","","","0.959","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003754","12.3384","0.0012","12.404","0.0015","12.632","0.0016","61.872","0.013","84.037","0.009","70.243","0.01","1601","0.4","284.87","0.18","284.87","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2054","0.1021","","","0.2486","0.3388","","","","","","0.955","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003755","12.3367","0.0012","12.3971","0.0016","12.6262","0.0017","61.846","0.013","84.026","0.01","70.239","0.01","1598.7","0.4","279.9","0.2","279.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2342","0.1178","","","0.2794","0.3974","","","","","","0.98","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003756","12.3381","0.0012","12.3911","0.0015","12.62","0.0016","61.862","0.013","84.023","0.009","70.233","0.01","1597.5","0.4","274.88","0.18","274.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2041","0.099","","","0.2415","0.3379","","","","","","0.952","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003757","12.3411","0.0012","12.3789","0.0016","12.61","0.0017","61.851","0.013","83.989","0.01","70.176","0.01","1594.4","0.4","259.9","0.2","259.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2476","0.1295","","","0.305","0.4308","","","","","","1.078","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003758","12.3363","0.001","12.3705","0.0012","12.5962","0.0013","61.827","0.01","83.958","0.008","70.162","0.008","1590.5","0.3","249.9","0.2","249.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1583","0.0825","","","0.1964","0.2439","","","","","","0.977","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003759","12.3315","0.001","12.3589","0.0012","12.5898","0.0013","61.806","0.01","83.941","0.008","70.149","0.008","1587.1","0.3","239.9","0.2","239.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.171","0.0929","","","0.2243","0.2841","","","","","","0.969","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003760","12.3255","0.001","12.3417","0.0013","12.5804","0.0014","61.763","0.011","83.908","0.008","70.11","0.009","1581.9","0.3","219.8","0.2","219.8","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1854","0.0996","","","0.2342","0.3024","","","","","","0.958","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003761","12.3148","0.001","12.3245","0.0013","12.5642","0.0014","61.72","0.011","83.854","0.008","70.065","0.009","1575.3","0.3","199.8","0.4","199.8","0.4","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1766","0.096","","","0.2319","0.2981","","","","","","0.961","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003762","12.3169","0.0011","12.318","0.0013","12.5594","0.0014","61.695","0.011","83.845","0.008","70.035","0.009","1573.4","0.3","179.8","0.4","179.8","0.4","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.2433","0.1119","","","0.2635","0.3713","","","","","","0.936","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003763","12.297","0.0015","12.31","0.0014","12.5469","0.0015","83.839","0.01","61.617","0.013","70.042","0.011","1567.2","0.4","159.5","0.9","159.5","0.9","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H26 Fe N6 O4 S -","- C74 H52 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1944","0.1101","","","0.2676","0.3568","","","","","","0.989","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003764","12.2879","0.0017","12.3085","0.0017","12.5397","0.0016","83.826","0.012","61.611","0.014","69.996","0.014","1564.3","0.5","139.7","0.6","139.7","0.6","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1756","0.0964","","","0.2389","0.322","","","","","","0.96","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003765","11.6736","0.0002","12.3309","0.0003","14.1938","0.0002","83.749","0.002","77.675","0.002","89.164","0.002","1984.11","0.07","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0652","0.0534","","","0.1456","0.1571","","","","","","1.166","","","","has coordinates","259219","2020-11-21","23:31:11",""
"4003766","11.6917","0.0003","12.3497","0.0005","14.2037","0.0005","83.777","0.003","77.663","0.003","89.162","0.003","1991.62","0.12","150.02","0.1","150.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0523","0.0413","","","0.1056","0.1108","","","","","","1.136","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003767","11.6878","0.0002","12.3526","0.0002","14.21","0.0002","83.784","0.001","77.734","0.001","89.166","0.001","1992.87","0.06","160.02","0.1","160.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0512","0.0394","","","0.0956","0.1011","","","","","","1.12","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003768","11.6907","0.0002","12.3565","0.0002","14.2137","0.0002","83.797","0.001","77.746","0.001","89.171","0.001","1994.65","0.06","170.01","0.1","170.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0517","0.0401","","","0.1002","0.1056","","","","","","1.137","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003769","11.6939","0.0002","12.3587","0.0002","14.2174","0.0002","83.805","0.001","77.758","0.001","89.179","0.001","1996.19","0.06","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.051","0.0389","","","0.0931","0.0988","","","","","","1.094","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003770","11.7001","0.0003","12.362","0.0004","14.2129","0.0005","83.789","0.003","77.715","0.003","89.167","0.002","1996.77","0.11","190","0.1","190","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0505","0.0375","","","0.0915","0.0972","","","","","","1.097","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003771","11.6999","0.0002","12.3651","0.0003","14.218","0.0004","83.804","0.002","77.743","0.002","89.166","0.002","1998.22","0.08","200","0.1","200","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.051","0.0375","","","0.088","0.0939","","","","","","1.09","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003772","11.7017","0.0002","12.3726","0.0003","14.2247","0.0003","83.817","0.002","77.773","0.002","89.175","0.002","2000.96","0.07","210","0.1","210","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0503","0.0368","","","0.0859","0.0916","","","","","","1.081","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003773","11.7033","0.0002","12.3801","0.0003","14.231","0.0003","83.835","0.002","77.797","0.002","89.187","0.002","2003.58","0.07","220","0.1","220","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0515","0.0377","","","0.0895","0.0956","","","","","","1.084","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003774","11.7027","0.0002","12.3866","0.0002","14.2358","0.0003","83.857","0.002","77.822","0.002","89.194","0.002","2005.48","0.07","230","0.1","230","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0527","0.0379","","","0.0893","0.096","","","","","","1.078","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003775","11.7021","0.0002","12.3965","0.0002","14.2419","0.0002","83.874","0.001","77.849","0.001","89.214","0.001","2008.1","0.06","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.053","0.0372","","","0.0874","0.0943","","","","","","1.075","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003776","11.6994","0.0002","12.4106","0.0002","14.2475","0.0002","83.89","0.001","77.891","0.001","89.229","0.001","2011.09","0.06","250","0.1","250","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0545","0.0375","","","0.0865","0.094","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003777","11.6921","0.0002","12.4305","0.0002","14.2527","0.0002","83.903","0.001","77.943","0.001","89.252","0.001","2014.22","0.06","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.058","0.0393","","","0.0914","0.0999","","","","","","1.066","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003778","11.6757","0.0002","12.4664","0.0002","14.2575","0.0002","83.914","0.001","78.033","0.001","89.298","0.001","2018.59","0.06","270.01","0.1","270.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0602","0.0394","","","0.0885","0.0976","","","","","","1.045","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003779","11.6428","0.0002","12.5292","0.0002","14.2611","0.0003","83.927","0.002","78.177","0.002","89.385","0.002","2024.65","0.07","280","0.1","280","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0658","0.0416","","","0.0961","0.1066","","","","","","1.063","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003780","11.5976","0.0002","12.6154","0.0003","14.2654","0.0003","83.945","0.002","78.391","0.002","89.498","0.002","2032.88","0.08","290.01","0.1","290.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0688","0.0417","","","0.0965","0.1085","","","","","","1.05","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003781","11.562","0.0002","12.6887","0.0003","14.2701","0.0003","83.971","0.002","78.579","0.002","89.596","0.002","2040.51","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0719","0.0429","","","0.1013","0.1146","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003782","11.5373","0.0003","12.7433","0.0003","14.2705","0.0003","83.999","0.002","78.729","0.002","89.674","0.002","2046.12","0.09","310.01","0.1","310.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.075","0.0442","","","0.1026","0.1166","","","","","","1.057","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003783","11.5254","0.0003","12.7852","0.0004","14.2685","0.0004","84.017","0.002","78.849","0.002","89.744","0.002","2051.33","0.1","320.01","0.1","320.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0782","0.046","","","0.1099","0.1244","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003784","11.5439","0.0003","12.7502","0.0003","14.2529","0.0003","83.958","0.002","78.729","0.002","89.701","0.002","2045.7","0.09","310","0.1","310","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.077","0.0453","","","0.1081","0.1224","","","","","","1.05","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003785","11.5679","0.0002","12.7029","0.0003","14.2437","0.0003","83.908","0.002","78.585","0.002","89.64","0.002","2039.83","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0758","0.0448","","","0.1043","0.1184","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003786","11.5982","0.0002","12.6415","0.0003","14.2355","0.0003","83.865","0.002","78.413","0.002","89.553","0.002","2032.74","0.08","290","0.1","290","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0735","0.0437","","","0.0994","0.1132","","","","","","1.047","","","","has coordinates","259219","2020-11-21","23:31:15",""
"4003787","11.6391","0.0002","12.5643","0.0003","14.2317","0.0003","83.826","0.002","78.216","0.002","89.45","0.002","2025.36","0.08","280.01","0.1","280.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.071","0.0438","","","0.104","0.1159","","","","","","1.067","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003788","11.6762","0.0002","12.4922","0.0003","14.2264","0.0003","83.8","0.002","78.037","0.002","89.354","0.002","2018.01","0.08","270.01","0.1","270.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0674","0.0432","","","0.0972","0.1082","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003789","11.6997","0.0002","12.4486","0.0002","14.2237","0.0002","83.782","0.002","77.92","0.001","89.294","0.002","2013.7","0.06","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0626","0.0415","","","0.0961","0.1054","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003790","11.7098","0.0002","12.4204","0.0002","14.2165","0.0002","83.764","0.001","77.851","0.001","89.256","0.001","2009.28","0.06","250.01","0.1","250.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0587","0.04","","","0.0941","0.1025","","","","","","1.07","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003791","11.7164","0.0002","12.4037","0.0002","14.2131","0.0002","83.747","0.002","77.801","0.001","89.237","0.001","2006.79","0.06","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monhydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0584","0.0403","","","0.0924","0.1007","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003792","11.718","0.0002","12.3915","0.0002","14.2067","0.0002","83.726","0.002","77.765","0.001","89.217","0.001","2003.84","0.06","230.01","0.1","230.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0562","0.0399","","","0.0938","0.1014","","","","","","1.073","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003793","11.7185","0.0002","12.3826","0.0002","14.202","0.0003","83.71","0.002","77.74","0.001","89.207","0.001","2001.57","0.06","220.03","0.1","220.03","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0554","0.0395","","","0.0909","0.0983","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003794","11.7178","0.0002","12.3746","0.0003","14.1962","0.0003","83.69","0.002","77.715","0.002","89.197","0.002","1999.08","0.07","210.04","0.1","210.04","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0541","0.0393","","","0.0923","0.0993","","","","","","1.06","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003795","11.7149","0.0002","12.3629","0.0003","14.1853","0.0003","83.659","0.002","77.669","0.002","89.187","0.002","1994.69","0.07","189.99","0.14","189.99","0.14","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0535","0.0397","","","0.093","0.0985","","","","","","1.089","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003796","11.7137","0.0002","12.3595","0.0003","14.1815","0.0004","83.639","0.002","77.645","0.002","89.186","0.002","1993.14","0.08","180","0.13","180","0.13","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0535","0.0403","","","0.0927","0.0987","","","","","","1.072","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003797","11.7115","0.0002","12.3568","0.0003","14.1773","0.0004","83.625","0.002","77.629","0.002","89.185","0.002","1991.56","0.08","169.9","0.2","169.9","0.2","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0541","0.0413","","","0.0987","0.1044","","","","","","1.092","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003798","11.7056","0.0002","12.353","0.0002","14.1782","0.0002","83.631","0.001","77.643","0.001","89.19","0.001","1990.2","0.06","159.9","0.2","159.9","0.2","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0548","0.0419","","","0.1023","0.1083","","","","","","1.103","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003799","11.7168","0.0002","12.3682","0.0003","14.1905","0.0003","83.674","0.002","77.687","0.002","89.189","0.002","1996.8","0.07","200","0.16","200","0.16","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0552","0.0411","","","0.099","0.1056","","","","","","1.076","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003800","11.7015","0.0002","12.3484","0.0002","14.1728","0.0002","83.609","0.001","77.633","0.001","89.177","0.001","1987.85","0.06","149.88","0.19","149.88","0.19","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0545","0.0423","","","0.1029","0.1091","","","","","","1.1","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003801","11.534","0.0005","12.8567","0.0008","14.2396","0.0007","84.058","0.005","79.041","0.004","89.894","0.004","2061.59","0.19","350.01","0.1","350.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0991","0.0591","","","0.1752","0.2003","","","","","","1.074","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003802","11.6372","0.0005","12.899","0.0005","14.1483","0.0005","95.834","0.003","101.001","0.003","90.133","0.003","2073.44","0.14","400.01","0.1","400.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1145","0.0534","","","0.1406","0.1699","","","","","","1.024","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003803","11.7221","0.0005","12.9457","0.0006","14.1334","0.0006","95.581","0.004","101.025","0.004","90.249","0.004","2094.61","0.16","450.01","0.1","450.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1341","0.0555","","","0.1466","0.1843","","","","","","1.002","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003804","11.6686","0.0003","12.8789","0.0004","14.0665","0.0004","95.911","0.002","101.141","0.002","90.143","0.002","2062.49","0.1","400","0.1","400","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1108","0.0525","","","0.1323","0.1571","","","","","","1.027","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003805","11.6647","0.0003","12.8722","0.0004","14.0602","0.0004","95.972","0.002","101.158","0.002","90.117","0.002","2059.46","0.1","390","0.1","390","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1066","0.0512","","","0.1264","0.1505","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003806","11.6601","0.0003","12.8615","0.0004","14.0508","0.0004","96.029","0.002","101.193","0.002","90.096","0.002","2055.11","0.1","380","0.1","380","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1037","0.0506","","","0.1187","0.1419","","","","","","1.019","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003807","11.6559","0.0003","12.8494","0.0003","14.0438","0.0004","96.092","0.002","101.225","0.002","90.081","0.002","2050.95","0.09","370","0.1","370","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0996","0.0504","","","0.1207","0.142","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003808","11.6469","0.0005","12.8411","0.0007","14.0342","0.0007","96.202","0.004","101.213","0.004","90.065","0.004","2046.3","0.18","359.99","0.1","359.99","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0962","0.0496","","","0.1164","0.1365","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003809","11.6474","0.0004","12.8314","0.0005","14.0304","0.0005","96.258","0.003","101.278","0.003","90.033","0.003","2043.62","0.13","350","0.1","350","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0923","0.0479","","","0.1122","0.1319","","","","","","1.023","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003810","11.6467","0.0004","12.8175","0.0004","14.0231","0.0005","96.319","0.003","101.329","0.003","90.006","0.003","2039.62","0.12","340","0.1","340","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0903","0.0482","","","0.1135","0.1326","","","","","","1.034","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003811","11.6488","0.0003","12.8048","0.0004","14.0189","0.0004","83.614","0.002","78.612","0.002","89.988","0.002","2036.67","0.1","330","0.1","330","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0862","0.0466","","","0.1102","0.127","","","","","","1.043","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003812","11.6512","0.0003","12.789","0.0003","14.0131","0.0004","83.548","0.002","78.554","0.002","89.954","0.002","2033.07","0.09","320","0.1","320","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0836","0.047","","","0.1055","0.1213","","","","","","1.027","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003813","11.6531","0.0003","12.7689","0.0003","14.0057","0.0004","83.472","0.002","78.494","0.002","89.925","0.002","2028.4","0.09","310","0.1","310","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0811","0.046","","","0.1054","0.1209","","","","","","1.031","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003814","11.6613","0.0003","12.7484","0.0003","14.0028","0.0003","83.395","0.002","78.415","0.002","89.886","0.002","2025.28","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0778","0.0459","","","0.1072","0.1217","","","","","","1.035","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003815","11.6729","0.0003","12.7207","0.0003","14.0001","0.0003","83.32","0.002","78.317","0.002","89.839","0.002","2021.49","0.08","290","0.1","290","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0761","0.0456","","","0.1051","0.1181","","","","","","1.043","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003816","11.6911","0.0003","12.6824","0.0003","13.9985","0.0003","83.239","0.002","78.203","0.002","89.788","0.002","2017.16","0.08","280.01","0.1","280.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0738","0.0444","","","0.1042","0.118","","","","","","1.041","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003817","11.7141","0.0003","12.63","0.0003","13.9981","0.0003","83.158","0.002","78.045","0.002","89.715","0.002","2011.24","0.08","270","0.1","270","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0717","0.0438","","","0.0996","0.1121","","","","","","1.041","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003818","11.7448","0.0003","12.5681","0.0003","14.0004","0.0003","83.083","0.002","77.873","0.002","89.62","0.002","2005.4","0.08","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0674","0.0416","","","0.0924","0.1034","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003819","11.7827","0.0003","12.4928","0.0003","14.0077","0.0003","83.019","0.002","77.674","0.002","89.496","0.002","1999.14","0.08","250.01","0.1","250.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0662","0.0423","","","0.0975","0.1084","","","","","","1.045","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003820","11.8079","0.0003","12.4299","0.0003","14.0076","0.0003","82.972","0.002","77.514","0.002","89.39","0.002","1991.94","0.08","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0631","0.0419","","","0.0973","0.1072","","","","","","1.056","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003821","11.8205","0.0003","12.3982","0.0003","14.0057","0.0003","82.929","0.002","77.425","0.002","89.331","0.002","1987.86","0.08","230.02","0.1","230.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.059","0.0406","","","0.0943","0.1031","","","","","","1.053","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003822","11.8276","0.0003","12.3812","0.0003","14.0032","0.0003","82.891","0.002","77.369","0.002","89.299","0.002","1985.38","0.08","220.03","0.1","220.03","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0572","0.0398","","","0.0942","0.1022","","","","","","1.072","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003823","11.8305","0.0002","12.3683","0.0003","13.9991","0.0003","82.858","0.002","77.321","0.002","89.276","0.002","1982.71","0.07","210.04","0.11","210.04","0.11","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0574","0.0409","","","0.1048","0.1135","","","","","","1.119","","","","has coordinates","259219","2020-11-21","23:31:20",""
"4003824","11.8322","0.0002","12.3594","0.0003","13.9949","0.0003","82.826","0.002","77.284","0.002","89.26","0.002","1980.55","0.07","200.04","0.1","200.04","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.0966","0.1044","","","","","","1.08","","","","has coordinates","259219","2020-11-21","23:31:20",""
"4003825","11.8326","0.0002","12.3511","0.0003","13.991","0.0003","82.79","0.002","77.247","0.002","89.251","0.002","1978.29","0.07","189.99","0.14","189.99","0.14","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0542","0.0395","","","0.094","0.1007","","","","","","1.086","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003826","11.8332","0.0002","12.3448","0.0003","13.9874","0.0003","82.753","0.002","77.209","0.002","89.246","0.002","1976.41","0.07","179.98","0.16","179.98","0.16","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0556","0.0414","","","0.1033","0.1102","","","","","","1.109","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003827","11.8317","0.0003","12.3456","0.0004","13.9916","0.0005","82.774","0.003","77.228","0.003","89.277","0.002","1977.1","0.11","169.96","0.18","169.96","0.18","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.07","0.0504","","","0.125","0.1352","","","","","","1.078","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003828","11.832","0.0002","12.3306","0.0004","13.9763","0.0004","82.654","0.002","77.122","0.002","89.231","0.002","1971.24","0.09","149.8","0.3","149.8","0.3","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0586","0.0448","","","0.114","0.1226","","","","","","1.1","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003829","17.44296","0.00016","6.93532","0.00007","10.32709","0.0001","90","","93.9042","0.0005","90","","1246.39","0.02","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetralithium cadmium ditin heptasulfide","","- Cd Li4 S7 Sn2 -","- Cd Li4 S7 Sn2 -","- Cd4 Li16 S28 Sn8 -","4","1","","Zhang, Jian-Han; Stoyko, Stanislav S.; Craig, Andrew J.; Grima, Pedro; Kotchey, Joshua W.; Jang, Joon I.; Aitken, Jennifer A.","Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li4CdSn2S7","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03268","","","0.71073","MoKα","","0.0145","0.0142","","","0.0385","0.0386","","","","","","1.126","","","","has coordinates","259262","2020-11-26","23:23:22",""
"4003830","7.534","0.0003","8.0865","0.0004","13.015","0.0005","101.614","0.004","96.329","0.003","103.651","0.004","744.31","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Cu2 I3 N4 -","- C7 H15 Cu2 I3 N4 -","- C14 H30 Cu4 I6 N8 -","2","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0286","0.0218","","","0.0484","0.0491","","","","","","0.953","","","","has coordinates","260416","2021-01-04","03:07:18",""
"4003831","8.8107","0.0003","11.8934","0.0004","15.5661","0.0006","90","","97.24","0.004","90","","1618.15","0.1","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Cu2 I3 N4 -","- C9 H19 Cu2 I3 N4 -","- C36 H76 Cu8 I12 N16 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0195","0.017","","","0.0309","0.0314","","","","","","1.179","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003832","8.53445","0.00017","18.4144","0.0004","13.5504","0.0004","90","","93.443","0.002","90","","2125.69","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cu4 I5 N5 -","- C9 H18 Cu4 I5 N5 -","- C36 H72 Cu16 I20 N20 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0339","0.0218","","","0.0305","0.0319","","","","","","0.909","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003833","5.6326","0.0011","5.6326","0.0011","8.0606","0.0018","90","","90","","120","","221.47","0.08","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- O8 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","1","0.0833333","","Guo, Shu; Zhong, Ruidan; Górnicka, Karolina; Klimczuk, Tomasz; Cava, R. J.","Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2","Chemistry of Materials","2020","32","24","10670","10677","10.1021/acs.chemmater.0c03850","","","0.71073","MoKα","","0.0194","0.0182","","","0.0454","0.0458","","","","","","1.173","","","","has coordinates,has disorder","260417","2021-01-04","03:07:28",""
"4003834","10.392","0.002","11.488","0.002","10.99","0.002","90","","107.422","0.007","90","","1251.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F3 K N O3 S -","- C7 H13 F3 K N O3 S -","- C28 H52 F12 K4 N4 O12 S4 -","4","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.1583","0.0814","","","0.1689","0.1983","","","","","","1.035","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003835","18.2533","0.0014","32.815","0.003","32.965","0.003","90","","90","","90","","19745","3","100","","100","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C464 H736 Cl32 F192 K64 N64 O192 S64 -","64","2","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0639","0.0392","","","0.094","0.1061","","","","","","1.047","","","","has coordinates,has disorder","260418","2021-01-04","03:07:43",""
"4003836","10.2695","0.0006","10.8187","0.0006","14.2434","0.0009","87.874","0.002","74.624","0.002","86.247","0.002","1522.24","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O3 S -","- C5 H9 F3 K N O3 S -","- C30 H54 F18 K6 N6 O18 S6 -","6","3","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0277","0.0218","","","0.0508","0.0542","","","","","","1.029","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003837","6.4411","0.0006","8.8961","0.001","11.4897","0.0012","87.753","0.004","73.755","0.003","81.989","0.003","625.91","0.11","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C7 H13 F3 K N O4 S -","- C7 H13 F3 K N O4 S -","- C14 H26 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0281","0.0258","","","0.0608","0.0614","","","","","","1.074","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003838","7.344","0.0005","7.7957","0.0005","9.1286","0.0006","96.33","0.002","90.086","0.002","95.585","0.002","516.94","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O4 S -","- C5 H9 F3 K N O4 S -","- C10 H18 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0276","0.0221","","","0.0508","0.0548","","","","","","1.115","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003839","10.519","0.0012","17.848","0.002","11.6429","0.0013","90","","94.87","0.001","90","","2178","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.67 H2.89 N0.22 O0.22 S0.22 -","- C2.66667 H2.88889 N0.222222 O0.222222 S0.222222 -","- C96 H104 N8 O8 S8 -","36","9","","Zhang, Bingjie; Zhang, Yueyan; Yang, Xiaodong; Li, Guoping; Zhang, Sikun; Zhang, Yanfeng; Yu, Demei; Liu, Zishun; He, Gang","Isometric Thionated Naphthalene Diimides As Organic Cathodes for High Capacity Lithium Batteries","Chemistry of Materials","2020","32","24","10575","10583","10.1021/acs.chemmater.0c03661","","","0.71073","MoKα","","0.0464","0.0379","","","0.1016","0.1083","","","","","","1.03","","","","has coordinates","260419","2021-01-04","03:07:56",""
"4003840","9.90381","0.00009","9.90381","0.00009","7.44188","0.00009","90","","90","","120","","632.147","0.011","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.9 H0.1 Mn3 O12.1 Sr5 -","- F0.9 H0.102 Mn3 O12.102 Sr5 -","- F1.8 H0.204 Mn6 O24.204 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.041","2.2","","","","","","","has coordinates","260420","2021-01-04","03:08:07",""
"4003841","9.90213","0.00011","9.90213","0.00011","7.44471","0.0001","90","","90","","120","","632.173","0.013","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.83 Mn2.826 O12 Si0.174 Sr5 -","- F0.825 Mn2.826 O12 Si0.174 Sr5 -","- F1.65 Mn5.652 O24 Si0.348 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.3994","2","","","","","","","has coordinates","260420","2021-01-04","03:08:12",""
"4003842","9.95283","0.00009","9.95283","0.00009","7.45254","0.00009","90","","90","","120","","639.334","0.011","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- H Mn3 O13 Sr5 -","- H Mn3 O13 Sr5 -","- H2 Mn6 O26 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.9519","2","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""
"4003843","9.9572","0.00016","9.9572","0.00016","7.44779","0.00016","90","","90","","120","","639.49","0.02","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- H0.84 Mn2.841 O12.84 Si0.159 Sr5 -","- H0.842 Mn2.841 O12.842 Si0.159 Sr5 -","- H1.684 Mn5.682 O25.684 Si0.318 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.731","1.6","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""
"4003844","22.301","0.003","37.511","0.005","27.083","0.005","90","","104.789","0.016","90","","21905","6","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H93 F4 N4 O2 S4 -","- C116 H93 F4 N4 O2 S4 -","- C928 H744 F32 N32 O16 S32 -","8","2","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.2159","0.1204","","","0.325","0.391","","","","","","1.018","","","","has coordinates","260205","2020-12-29","23:31:25",""
"4003845","10.7771","0.0014","18.5061","0.0015","26.1941","0.0018","77.309","0.007","88.059","0.008","90.002","0.008","5093.5","0.9","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C121 H112 F4 N4 O2 S4 -","- C121 H112 F4 N4 O2 S4 -","- C242 H224 F8 N8 O4 S8 -","2","1","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.255","0.1558","","","0.4464","0.526","","","","","","1.221","","","","has coordinates,has disorder","260205","2020-12-29","23:31:30",""
"4003846","14.47","0.0005","19.616","0.0006","35.4927","0.0009","90","","92.58","0.003","90","","10064.2","0.5","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C121 H112 F4 N4 O2 S4 -","- C121 H112 F4 N4 O2 S4 -","- C484 H448 F16 N16 O8 S16 -","4","1","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.1474","0.0952","","","0.254","0.289","","","","","","1.022","","","","has coordinates,has disorder","260205","2020-12-29","23:31:30",""
"4003847","26.85534","0.00017","26.85534","0.00017","26.85534","0.00017","90","","90","","90","","19368.3","0.2","90","","90","","","","101","","activated at 473 K for 10 min, and cooled to 90 K","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H50.56 O36.16 Zr6 -","- C81.48 H50.56 O36.16 Zr6 -","- C325.92 H202.24 O144.64 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0316","5.909","","","","","","","has coordinates","260302","2020-12-31","23:25:27",""
"4003848","26.818","0.0002","26.818","0.0002","26.818","0.0002","90","","90","","90","","19287.6","0.2","480","","480","","","","101","","activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H50.56 O36.16 Zr6 -","- C81.48 H50.56 O36.16 Zr6 -","- C325.92 H202.24 O144.64 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0341","6.232","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003849","26.784","0.0005","26.784","0.0005","26.784","0.0005","90","","90","","90","","19214.4","0.6","90","","90","","","","101","","activated at 473 K for 10 min, and cooled to 90 K","","synthetic","5","F m -3 m","-F 4 2 3","225","UiO-67-NH2","Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework","","- C78.12 H43.06 N5.58 O40 Zr6 -","- C78.12 H43.06 N5.58 O40 Zr6 -","- C312.48 H172.24 N22.32 O160 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.054","9.322","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003850","26.7196","0.0005","26.7196","0.0005","26.7196","0.0005","90","","90","","90","","19076.1","0.6","480","","480","","","","101","","activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K","","synthetic","5","F m -3 m","-F 4 2 3","225","UiO-67-NH2","Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework","","- C78.12 H43.06 N5.58 O40 Zr6 -","- C78.12 H43.06 N5.58 O40 Zr6 -","- C312.48 H172.24 N22.32 O160 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.057","9.608","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003851","26.7734","0.0002","26.7734","0.0002","26.7734","0.0002","90","","90","","90","","19191.6","0.2","298","","298","","","","101","","no activation","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H46.56 O61.92 Zr6 -","- C81.48 H46.56 O61.92 Zr6 -","- C325.92 H186.24 O247.68 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0406","1.525","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003852","26.5695","0.0003","26.5695","0.0003","26.5695","0.0003","90","","90","","90","","18756.4","0.4","580","","580","","","","101","","no activation, heated from room temperaure to 580 K directly","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H46.56 O30.22 Zr6 -","- C81.48 H46.56 O30.224 Zr6 -","- C325.92 H186.24 O120.896 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0417","1.481","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4037628","12.6965","0.0013","17.3542","0.0018","19.577","0.002","78.42","0.003","87.087","0.003","80.742","0.003","4169.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H105.5 Cl1.5 N8 Si4 -","- C91 H105.5 Cl1.5 N8 Si4 -","- C182 H211 Cl3 N16 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.191","0.1222","","","0.3172","0.3785","","","","","","1.026","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037629","15.2399","0.0007","16.3922","0.0009","17.7725","0.001","101.974","0.0018","113.986","0.0015","106.368","0.0015","3619.9","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H98 N4 Si4 -","- C78 H98 N4 Si4 -","- C156 H196 N8 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1012","0.0629","","","0.155","0.1807","","","","","","1.028","","","","has coordinates","246575","2020-10-21","18:00:00",""
"4037630","12.4305","0.0009","25.215","0.002","21.1193","0.0019","90","","93.47","0.003","90","","6607.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 N4 Si4 -","- C70 H94 N4 Si4 -","- C280 H376 N16 Si16 -","4","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1802","0.0836","","","0.1983","0.2565","","","","","","1.023","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037717","13.575","0.0007","20.2391","0.0011","20.8569","0.0011","90","","90.607","0.002","90","","5730","0.5","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C143 H121 Cl2 O13 -","- C143 H121 Cl2 O13 -","- C286 H242 Cl4 O26 -","2","1","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","1.54178","CuKα","","0.0454","0.0433","","","0.1199","0.1221","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037718","21.4937","0.0008","9.3227","0.0004","21.3572","0.0009","90","","104.637","0.002","90","","4140.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 S2 -","- C26 H18 O2 S2 -","- C208 H144 O16 S16 -","8","2","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","0.71073","MoKα","","0.0521","0.038","","","0.0878","0.0935","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037770","19.1406","0.0004","9.6406","0.0002","11.2647","0.0003","90","","105.952","0.003","90","","1998.6","0.08","123.15","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H7 B Cl2 F8 -","- C22 H7 B Cl2 F8 -","- C88 H28 B4 Cl8 F32 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1062","0.1084","","","","","","1.0411","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037771","10.6793","0.0002","11.2817","0.0002","16.7507","0.0004","86.433","0.002","84.296","0.002","88.897","0.002","2004.08","0.07","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 B F15 N2 O P -","- C41 H39 B F15 N2 O P -","- C82 H78 B2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","0.71073","MoKα","","0.0404","0.0336","","","0.0843","0.0879","","","","","","1.0298","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037772","10.534","0.0003","21.0599","0.0006","20.872","0.0006","90","","95.002","0.002","90","","4612.7","0.2","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H41 B Cl2 F15 N2 O3 P -","- C43 H41 B Cl2 F15 N2 O3 P -","- C172 H164 B4 Cl8 F60 N8 O12 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","0.71073","MoKα","","0.0516","0.0397","","","0.0906","0.0951","","","","","","1.0293","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037773","12.5964","0.0005","21.5652","0.0012","18.5448","0.0009","90","","95.214","0.004","90","","5016.7","0.4","298.15","","298.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 B F15 N2 O3 P -","- C42 H39 B F15 N2 O3 P -","- C168 H156 B4 F60 N8 O12 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.1189","0.0676","","","0.1836","0.2225","","","","","","0.9904","","","","has coordinates,has disorder","246704","2020-10-21","18:00:00",""
"4037774","11.0128","0.0003","12.0642","0.0003","20.6781","0.0006","83.247","0.002","75.607","0.002","66.202","0.003","2434.35","0.13","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Al F15 N2 O3 P -","- C49 H47 Al F15 N2 O3 P -","- C98 H94 Al2 F30 N4 O6 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.0604","0.0557","","","0.1509","0.1544","","","","","","1.0508","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037786","9.017","0.003","9.923","0.003","21.325","0.008","90","","90","","90","","1908.1","1.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Liu, Shi; Gellman, Samuel H.","Preparation of β2-Homologous Amino Acids Bearing Polar Side Chains via a Collective Synthesis Strategy","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02562","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0566","","","0.1548","0.1562","","","","","","1.077","","","","has coordinates","246708","2020-10-21","18:00:00",""
"4037792","9.9788","0.0002","12.3213","0.0002","19.5547","0.0004","90","","90","","90","","2404.29","0.08","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0518","0.0473","","","0.1276","0.1339","","","","","","1.062","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037793","13.05917","0.00018","6.51103","0.00008","14.0462","0.0002","90","","94.0015","0.0014","90","","1191.42","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.0999","0.1025","","","","","","1.078","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037794","12.8813","0.0004","9.1977","0.0002","13.198","0.0003","90","","98.139","0.003","90","","1547.93","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 He0.25 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0558","0.0487","","","0.1281","0.1367","","","","","","1.035","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037795","8.3364","0.0006","8.483","0.0005","10.7484","0.0007","82.823","0.005","86.862","0.005","89.82","0.005","753.01","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C36 H30 N6 O8 -","2","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0645","0.0476","","","0.126","0.1439","","","","","","1.086","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037796","16.7548","0.00016","7.45702","0.00007","27.245","0.0002","90","","104.133","0.001","90","","3300.98","0.05","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.046","0.043","","","0.1119","0.1158","","","","","","1.035","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037797","8.77594","0.00011","10.37922","0.00011","16.1674","0.0002","90","","90","","90","","1472.65","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0421","0.0373","","","0.0954","0.0984","","","","","","1.051","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037798","10.7991","0.0005","11.9747","0.0005","19.5546","0.001","90","","90","","90","","2528.7","0.2","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0519","0.0468","","","0.1398","0.1485","","","","","","1.069","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037799","13.0647","0.0013","9.431","0.0012","24.873","0.003","90","","90","","90","","3064.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C144 H136 Cl8 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.152","0.1073","","","0.2708","0.3532","","","","","","1.137","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037800","7.6804","0.0003","9.7291","0.0004","16.249","0.0007","84.504","0.001","88.521","0.001","71.516","0.001","1146.24","0.08","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 O6 S2 -","- C22 H14 O6 S2 -","- C44 H28 O12 S4 -","2","1","","Patel, Dinesh G.; Mitchell, Travis B.; Myers, Shea Douglas; Carter, Dorothy A.; Novak, Frank A.","A Suzuki Approach to Quinone Based Diarylethene Photochromes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02632","","","0.71073","MoKα","","0.0347","0.031","","","0.089","0.0922","","","","","","1.046","","","","has coordinates","246783","2020-10-21","18:00:00",""
"4037801","24.614","0.007","11.524","0.003","7.454","0.002","90","","90","","90","","2114.3","1","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H14 O6 S2 -","- C22 H14 O6 S2 -","- C88 H56 O24 S8 -","4","1","","Patel, Dinesh G.; Mitchell, Travis B.; Myers, Shea Douglas; Carter, Dorothy A.; Novak, Frank A.","A Suzuki Approach to Quinone Based Diarylethene Photochromes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02632","","","0.41328","synchrotron","","0.0569","0.0475","","","0.1155","0.1217","","","","","","1.057","","","","has coordinates","246784","2020-10-21","18:00:00",""
"4037807","12.2054","0.0005","28.5826","0.0015","20.7771","0.0011","90","","99.232","0.002","90","","7154.5","0.6","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 I20 N6 -","- C40 H44 I20 N6 -","- C160 H176 I80 N24 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0673","0.043","","","0.09","0.0997","","","","","","1.012","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037808","23.5982","0.0013","23.5982","0.0013","9.8455","0.0006","90","","90","","90","","5482.7","0.5","200","2","200","","","","","","","","","5","I -4","I -4","82","","","","- C20 H22 Br I2 N3 -","- C20 H22 Br I2 N3 -","- C160 H176 Br8 I16 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.079","0.0542","","","0.1425","0.1553","","","","","","1.074","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037809","23.9419","0.001","23.9419","0.001","10.1217","0.0003","90","","90","","90","","5801.9","0.4","200","2","200","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H22 I3 N3 -","- C20 H22 I3 N3 -","- C160 H176 I24 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1114","0.0613","","","0.1361","0.1531","","","","","","1.12","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037810","32.77","0.004","9.7269","0.0013","23.215","0.003","90","","134.483","0.003","90","","5279.4","1.2","200","2","200","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H22 Cl I2 N3 -","- C20 H22 Cl I2 N3 -","- C160 H176 Cl8 I16 N24 -","8","2","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0893","0.0591","","","0.1166","0.1272","","","","","","1.054","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037811","15.734","0.003","16.15","0.004","18.906","0.004","109.625","0.006","90.918","0.006","118.792","0.005","3872.6","1.5","298","2","297.85","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 B F4 I2 N3 -","- C20 H22 B F4 I2 N3 -","- C120 H132 B6 F24 I12 N18 -","6","3","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1692","0.0921","","","0.2475","0.2991","","","","","","1.045","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037812","16.791","0.006","28.467","0.011","12.617","0.005","90","","107.753","0.015","90","","5744","4","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 I12 N6 -","- C40 H44 I12 N6 -","- C160 H176 I48 N24 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0394","0.031","","","0.0645","0.0673","","","","","","1.088","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037813","22.3708","0.0019","11.2189","0.0012","22.842","0.002","90","","117.81","0.003","90","","5070.6","0.8","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F3 I2 N3 O2 -","- C22 H22 F3 I2 N3 O2 -","- C176 H176 F24 I16 N24 O16 -","8","2","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1111","0.0914","","","0.213","0.2216","","","","","","1.132","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037814","18.1509","0.0013","18.7643","0.0013","20.4941","0.0016","90","","92.369","0.002","90","","6974.1","0.9","150","2","149.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B2 Cl8 F8 I4 N8 -","- C54 H60 B2 Cl8 F8 I4 N8 -","- C216 H240 B8 Cl32 F32 I16 N32 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1121","0.0965","","","0.202","0.2088","","","","","","1.152","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037815","11.9179","0.001","27.124","0.002","8.6997","0.0007","90","","107.515","0.003","90","","2681.9","0.4","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 I2 N3 O2 -","- C23 H27 Cl2 I2 N3 O2 -","- C92 H108 Cl8 I8 N12 O8 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0321","0.0258","","","0.0563","0.0582","","","","","","1.117","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037816","8.0145","0.0007","8.3149","0.0006","11.3067","0.0009","104.662","0.007","93.314","0.007","98.017","0.007","718.4","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F2 N4 S2 -","- C14 H12 F2 N4 S2 -","- C28 H24 F4 N8 S4 -","2","1","","Jiang, Wei; Zhuge, Juanping; Li, Jianxiao; Histand, Gary; Lin, Dongen","Direct Sulfenylation of the Purines C8-H Bond with Thiophenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03115","","x-ray","0.71073","MoKα","","0.0426","0.0358","","","0.0857","0.0907","","","","","","1.089","","","","has coordinates","246844","2020-10-21","18:00:00",""
"4037817","4.2319","0.0003","14.2453","0.0009","19.5737","0.0012","90","","90","","90","","1179.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F N2 O2 -","- C13 H13 F N2 O2 -","- C52 H52 F4 N8 O8 -","4","1","","Wang, Rongkang; Ding, Tianqi; Jiang, Lvqi; He, Wujuan; Yi, Wenbin","Fluoromethoxymethylation of Nitrogen Heterocyclic Compounds with Fluoromethyl Iodide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03193","","","0.71073","MoKα","","0.0384","0.0342","","","0.0886","0.0909","","","","","","1.055","","","","has coordinates","246845","2020-10-21","18:00:00",""
"4037818","6.5997","0.0003","7.7561","0.0004","21.4326","0.001","90","","90","","90","","1097.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Li, Dazhi; Liang, Ce; Jiang, Zaixing; Zhang, JunZheng; Zhuo, Wang-Tao; Zou, Fan-Yue; Wang, Wan-Peng; Gao, Guo-Lin; Song, Jinzhu","Visible-Light Promoted C2 Selective Arylation of Quinoline and Pyridine N-Oxides with Diaryliodonium Tetrafluoroborate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02933","","x-ray","0.71073","MoKα","","0.0686","0.0475","","","0.0963","0.1113","","","","","","1.05","","","","has coordinates","246887","2020-10-21","18:00:00",""
"4037819","10.392","0.002","13.142","0.004","11.663","0.003","90","","114.467","0.015","90","","1449.8","0.7","173","","172.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Phelan, Zaki K.; Weiss, Philip S.; He, Yiqun; Guan, Ziyang; Thamattoor, Dasan M.; Griffith, Daniel R.","Synthetic Entry to the 2-azatricyclo[4.3.2.04,9]undecane Ring System via Tropone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02921","","x-ray","0.71076","MoKα","","0.0988","0.0504","","","0.0955","0.1112","","","","","","1.041","","","","has coordinates","246922","2020-10-21","18:00:00",""
"4037820","13.5796","0.0003","9.3714","0.0002","15.1038","0.0004","90","","115.716","0.002","90","","1731.73","0.08","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 N2 O4 -","- C19 H13 F3 N2 O4 -","- C76 H52 F12 N8 O16 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.1183","0.0644","","","0.1667","0.2024","","","","","","1.019","","","","has coordinates","246923","2020-10-21","18:00:00",""
"4037821","12.8854","0.0002","16.3596","0.0003","7.595","0.0001","90","","91.524","0.001","90","","1600.46","0.04","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.0823","0.0492","","","0.122","0.1388","","","","","","1.044","","","","has coordinates","246924","2020-10-21","18:00:00",""
"4037822","10.4236","0.0007","9.8837","0.0006","21.6288","0.0014","90","","102.082","0.003","90","","2178.9","0.2","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl N2 O2 Ru -","- C24 H23 Cl N2 O2 Ru -","- C96 H92 Cl4 N8 O8 Ru4 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.0559","0.0395","","","0.0886","0.096","","","","","","1.043","","","","has coordinates","246925","2020-10-21","18:00:00",""
"4037823","13.267","0.002","11.839","0.0019","16.549","0.003","90","","110.301","0.005","90","","2437.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl N4 O2 S -","- C28 H21 Cl N4 O2 S -","- C112 H84 Cl4 N16 O8 S4 -","4","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.0688","0.0501","","","0.1473","0.1747","","","","","","1.162","","","","has coordinates","246979","2020-10-21","18:00:00",""
"4037824","11.0736","0.0009","14.0744","0.0011","17.649","0.0013","90","","90","","90","","2750.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 Br N4 O2 S -","- C32 H21 Br N4 O2 S -","- C128 H84 Br4 N16 O8 S4 -","4","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.1132","0.0416","","","0.0828","0.0984","","","","","","0.835","","","","has coordinates","287943","2023-12-01","18:00:39",""
"4037825","8.314","0.002","10.671","0.003","11.777","0.003","94.821","0.006","91.645","0.006","106.762","0.005","995.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl N3 Rh -","- C22 H25 Cl N3 Rh -","- C44 H50 Cl2 N6 Rh2 -","2","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.0423","0.0367","","","0.097","0.1084","","","","","","0.872","","","","has coordinates","246981","2020-10-21","18:00:00",""
"4037826","23.621","0.006","10.647","0.003","16.385","0.004","90","","93.303","0.013","90","","4113.9","1.9","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl O4 -","- C24 H21 Cl O4 -","- C192 H168 Cl8 O32 -","8","1","","Zhang, Jianfang; Yang, Qin; Zhu, Yang; Wang, Jianbo; Deng, Guisheng","Synthesis and Rhodium(II)-Mediated Cascade Cyclopropanation/Rearrangement/Isomerization of Diazo 2,3,5-Trisubstituted Furans: the Construction of Pentasubstituted Aromatic Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03093","","","0.71073","MoKα","","0.0609","0.0483","","","0.1282","0.14","","","","","","1.035","","","","has coordinates,has disorder","246982","2020-10-21","18:00:00",""
"4037827","7.8165","0.0011","8.0726","0.0015","11.719","0.0015","97.711","0.013","101.614","0.012","116.715","0.016","625.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sahu, Archana Kumari; Unnava, Ramanjaneyulu; Shit, Sudip; Saikia, Anil K.","In(OTf)3 Catalyzed One-Pot Tandem Mannich and Conia-Ene Cyclization Reaction of N-Propargyl Amido Alcohols with 1,3-Dicarbonyl Compounds: An Approach to Construct the Tetrahydro-1H-pyrrolo[2,1-a]isoindolone-1,1-dicarboxylate and its Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02686","","","0.71073","MoKα","","0.0911","0.0567","","","0.1184","0.1467","","","","","","1.099","","","","has coordinates","246983","2020-10-21","18:00:00",""
"4037828","8.4181","0.0008","10.0355","0.0009","10.2655","0.001","90","","107.956","0.002","90","","824.99","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Sahu, Archana Kumari; Unnava, Ramanjaneyulu; Shit, Sudip; Saikia, Anil K.","In(OTf)3 Catalyzed One-Pot Tandem Mannich and Conia-Ene Cyclization Reaction of N-Propargyl Amido Alcohols with 1,3-Dicarbonyl Compounds: An Approach to Construct the Tetrahydro-1H-pyrrolo[2,1-a]isoindolone-1,1-dicarboxylate and its Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02686","","","0.71073","MoKα","","0.0404","0.0369","","","0.0911","0.0941","","","","","","1.073","","","","has coordinates","246984","2020-10-21","18:00:00",""
"4037829","7.6568","0.0017","15.768","0.003","22.082","0.005","90","","96.89","0.004","90","","2646.8","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 N2 O2 -","- C31 H26 Cl2 N2 O2 -","- C124 H104 Cl8 N8 O8 -","4","1","","Urushibara, Ko; Yamada, Tatsunori; Yokoyama, Akihiro; Mori, Hirotoshi; Masu, Hyuma; Azumaya, Isao; Kagechika, Hiroyuki; Yokozawa, Tsutomu; Tanatani, Aya","Development of Helical Aromatic Amide Foldamers with a Diphenylacetylene Backbone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02758","","","0.71073","MoKα","","0.1725","0.0775","","","0.1851","0.2316","","","","","","0.987","","","","has coordinates","246985","2020-10-21","18:00:00",""
"4037830","7.7894","0.0013","9.2514","0.0015","23.546","0.004","79.555","0.003","88.839","0.003","69.208","0.002","1558.2","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","KU-2-127","","","- C40 H30 N2 O4 -","- C40 H30 N2 O4 -","- C80 H60 N4 O8 -","2","1","","Urushibara, Ko; Yamada, Tatsunori; Yokoyama, Akihiro; Mori, Hirotoshi; Masu, Hyuma; Azumaya, Isao; Kagechika, Hiroyuki; Yokozawa, Tsutomu; Tanatani, Aya","Development of Helical Aromatic Amide Foldamers with a Diphenylacetylene Backbone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02758","","","0.71073","MoKα","","0.0931","0.0504","","","0.1153","0.1317","","","","","","1.022","","","","has coordinates","246986","2020-10-21","18:00:00",""
"4037831","8.9602","0.0018","16.318","0.003","12.487","0.003","90","","103.42","0.03","90","","1775.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F2 N -","- C23 H21 F2 N -","- C92 H84 F8 N4 -","4","1","","Zhao, Yu-Quan; Tian, Jun-Jie; Ai, Chong-Ren; Wang, Xiao-Chen","Diiodomethane-Mediated Generation of <i>N</i>-Aryliminium Ions and Subsequent [4 + 2] Cycloadditions with Olefins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03148","","","0.71073","MoKα","","0.0583","0.0481","","","0.1359","0.1465","","","","","","1.037","","","","has coordinates","247159","2020-10-21","18:00:00",""
"4037832","8.3094","0.0003","10.6542","0.0003","16.6643","0.0003","102.728","0.0019","90.133","0.002","102.615","0.003","1402.33","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","N-Phenyl-2-(pyridin-2-yl)benzamide","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","2","","McKay, Alasdair I.; Altalhi, Weam A. O.; McInnes, Lachlan E.; Czyz, Milena L.; Canty, Allan J.; Donnelly, Paul S.; O’Hair, Richard A. J.","Identification of the Side Products That Diminish the Yields of the Monoamidated Product in Metal-Catalyzed C‒H Amidation of 2-Phenylpyridine with Arylisocyanates","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02831","","x-ray","1.54184","CuKα","","0.0539","0.0463","","","0.1249","0.1303","","","","","","1.071","","","","has coordinates","247160","2020-10-21","18:00:00",""
"4037833","7.7093","0.0005","9.5441","0.0005","12.4195","0.0004","94.235","0.003","93.075","0.004","113.306","0.005","833.52","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","1,3,5-tri(4-fluorophenyl)biuret","","","- C20 H14 F3 N3 O2 -","- C20 H14 F3 N3 O2 -","- C40 H28 F6 N6 O4 -","2","1","","McKay, Alasdair I.; Altalhi, Weam A. O.; McInnes, Lachlan E.; Czyz, Milena L.; Canty, Allan J.; Donnelly, Paul S.; O’Hair, Richard A. J.","Identification of the Side Products That Diminish the Yields of the Monoamidated Product in Metal-Catalyzed C‒H Amidation of 2-Phenylpyridine with Arylisocyanates","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02831","","x-ray","1.54184","CuKα","","0.0501","0.0465","","","0.1284","0.1308","","","","","","1.113","","","","has coordinates","247160","2020-10-21","18:00:00",""
"4037834","11.447","0.0002","6.2048","0.0002","20.0037","0.0005","90","","94.868","0.002","90","","1415.66","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H13 N O -","- C21 H13 N O -","- C84 H52 N4 O4 -","4","2","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0718","0.0547","","","0.0991","0.1052","","","","","","1.067","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037835","10.7953","0.0004","5.0922","0.0002","25.8426","0.0009","90","","94.918","0.003","90","","1415.38","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O -","- C21 H13 N O -","- C84 H52 N4 O4 -","4","1","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0808","0.0634","","","0.1404","0.1508","","","","","","1.098","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037836","5.6018","0.0002","10.0673","0.0005","16.0613","0.0008","106.886","0.004","91.313","0.004","99.947","0.004","851.12","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.1071","0.0953","","","0.165","0.1697","","","","","","1.314","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037837","19.9231","0.0003","10.1765","0.0002","15.8477","0.0004","90","","93.433","0.002","90","","3207.31","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28.67 Br2 N2 O7.33 Pd -","- C34 H28.6666 Br2 N2 O7.3333 Pd -","- C136 H114.666 Br8 N8 O29.3332 Pd4 -","4","0.5","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0512","0.0413","","","0.0924","0.0963","","","","","","1.127","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037838","18.3076","0.0003","7.827","0.0001","22.6989","0.0004","90","","90","","90","","3252.61","0.09","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H28 N2 O6 Pd -","- C34 H28 N2 O6 Pd -","- C136 H112 N8 O24 Pd4 -","4","0.5","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0586","0.0561","","","0.0984","0.0996","","","","","","1.251","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037839","12.4962","0.0006","12.937","0.0005","13.6763","0.0006","86.435","0.004","77.596","0.004","77.317","0.004","2106.4","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O6 -","- C19 H16 Br N O6 -","- C76 H64 Br4 N4 O24 -","4","2","","Zhang, Minli; Li, Tong; Cui, Chaoxing; Song, Xixi; Chang, Junbiao","Stereoselective Sequential Spirocyclopropanation/Cloke-Wilson Rearrangement Reactions for Synthesis of <i>trans</i>-β,γ-Disubstituted γ-Butyrolactones Using Alkylidene Meldrum's Acid and Benzyl Halides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02978","","x-ray","1.54184","CuKα","","0.0773","0.0593","","","0.1621","0.18","","","","","","1.054","","","","has coordinates,has disorder","247162","2020-10-21","18:00:00",""
"4037840","7.8723","0.0007","11.7079","0.0008","12.5625","0.0009","96.684","0.006","91.881","0.007","101.786","0.007","1123.84","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O4 S2 -","- C26 H22 O4 S2 -","- C52 H44 O8 S4 -","2","1","","Tang, Ling; Yang, Qin; Zhang, Jianfang; Deng, Guisheng","Regioselective Reversal Cyclization To Access either Eight-Membered Sulfur-Containing Heterocycle-Fused γ-Pyrones or 2-(1,4-Dithianyl)-4-pyrones from the Same Precursors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03303","","x-ray","1.54184","CuKα","","0.0822","0.055","","","0.1658","0.1788","","","","","","1.151","","","","has coordinates","247163","2020-10-21","18:00:00",""
"4037841","6.3222","0.0002","13.4523","0.0004","16.5443","0.0004","102.351","0.003","100.885","0.003","94.385","0.003","1339.72","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 O4 S3 -","- C24 H19 O4 S3 -","- C48 H38 O8 S6 -","2","1","","Tang, Ling; Yang, Qin; Zhang, Jianfang; Deng, Guisheng","Regioselective Reversal Cyclization To Access either Eight-Membered Sulfur-Containing Heterocycle-Fused γ-Pyrones or 2-(1,4-Dithianyl)-4-pyrones from the Same Precursors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03303","","x-ray","1.54184","CuKα","","0.0923","0.0811","","","0.2376","0.249","","","","","","1.061","","","","has coordinates","247164","2020-10-21","18:00:00",""
"4037842","6.0928","0.0003","6.9436","0.0004","21.7386","0.0008","90","","90","","90","","919.67","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H7 Br N4 -","- C8 H7 Br N4 -","- C32 H28 Br4 N16 -","4","1","","Rajamanickam, Suresh; Sah, Chitranjan; Mir, Bilal Ahmad; Ghosh, Subhendu; Sethi, Garima; Yadav, Vinita; Venkataramani, Sugumar; Patel, Bhisma K.","Bu<sub>4</sub>NI-Catalyzed, Radical-Induced Regioselective <i>N</i>-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02875","","","0.71073","MoKα","","0.0576","0.0418","","","0.0883","0.0984","","","","","","1.001","","","","has coordinates","247165","2020-10-21","18:00:00",""
"4037843","11.253","0.003","11.145","0.003","10.015","0.002","90","","96.67","0.005","90","","1247.5","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Rajamanickam, Suresh; Sah, Chitranjan; Mir, Bilal Ahmad; Ghosh, Subhendu; Sethi, Garima; Yadav, Vinita; Venkataramani, Sugumar; Patel, Bhisma K.","Bu<sub>4</sub>NI-Catalyzed, Radical-Induced Regioselective <i>N</i>-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02875","","","0.71073","MoKα","","0.047","0.0376","","","0.0782","0.0798","","","","","","1.997","","","","has coordinates","247166","2020-10-21","18:00:00",""
"4037844","10.1498","0.0015","11.446","0.0016","12.8648","0.0018","110.09","0.002","102.591","0.002","95.859","0.002","1344.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","12i","","- C27 H29 Cl4 N3 O3 -","- C27 H29 Cl4 N3 O3 -","- C54 H58 Cl8 N6 O6 -","2","1","","Pertejo, Pablo; Carreira-Barral, Israel; Peña-Calleja, Pablo; Quesada, Roberto; García-Valverde, María","Post-Ugi Transformations for the Access to Pyrrolobenzodiazepine Scaffolds with Different Degrees of Unsaturation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02995","","","0.71073","MoKα","","0.0687","0.0466","","","0.1105","0.1181","","","","","","0.954","","","","has coordinates","247167","2020-10-21","18:00:00",""
"4037845","9.9494","0.0007","9.2406","0.0006","21.1428","0.0013","90","","90","","90","","1943.8","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H21 B N2 O -","- C22 H21 B N2 O -","- C88 H84 B4 N8 O4 -","4","1","","Mao, Lujia; Li, Chunlei; Xiang, Libo; Fu, Dejun; Ma, Wangyang; Ye, Qing","Synthesis of Allenyl-Bdan via the Cu(I)-Catalyzed Borylation of Propargylic Alcohols with the Unsymmetric Diboron Reagent (Bpin-Bdan).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03319","","","0.71073","MoKα","","0.0478","0.0374","","","0.0894","0.0966","","","","","","1.083","","","","has coordinates","247168","2020-10-21","18:00:00",""
"4037846","14.7636","0.0014","5.5546","0.0005","22.076","0.002","90","","101.332","0.003","90","","1775.1","0.3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B Cl N2 -","- C19 H22 B Cl N2 -","- C76 H88 B4 Cl4 N8 -","4","1","","Mao, Lujia; Li, Chunlei; Xiang, Libo; Fu, Dejun; Ma, Wangyang; Ye, Qing","Synthesis of Allenyl-Bdan via the Cu(I)-Catalyzed Borylation of Propargylic Alcohols with the Unsymmetric Diboron Reagent (Bpin-Bdan).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03319","","","0.71073","MoKα","","0.0556","0.0415","","","0.1046","0.1177","","","","","","1.072","","","","has coordinates","247168","2020-10-21","18:00:00",""
"4037847","9.8831","0.0013","10.2552","0.0013","10.8546","0.0013","102.129","0.008","99.415","0.009","118.029","0.008","904.5","0.2","111","2","111.08","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 F3 N O3 -","- C22 H16 F3 N O3 -","- C44 H32 F6 N2 O6 -","2","1","","Zhang, Lei; Duan, Jindian; Xu, Gaochen; Ding, Xiaojuan; Mao, Yiyang; Rong, Binsen; Zhu, Ning; Fang, Zheng; Li, Zhenjiang; Guo, Kai","Copper-Catalyzed N-O Cleavage of α,β-Unsaturated Ketoxime Acetates toward Structurally Diverse Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03238","","","1.34139","GaKα","","0.1004","0.0759","","","0.2165","0.2401","","","","","","1.102","","","","has coordinates","247169","2020-10-21","18:00:00",""
"4037848","11.9806","0.001","28.9942","0.0017","7.2032","0.0007","90","","106.024","0.01","90","","2404.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","2","","You, Changming; Zhang, Zhenming; Tu, Yongliang; Tang, Hong; Wang, Yuanfeng; Long, Da; Zhao, Junfeng","Transition-Metal-Free Approach to Polysubstituted Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03006","","x-ray","0.71073","MoKα","","0.0921","0.0629","","","0.1485","0.1639","","","","","","1.109","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037849","11.0843","0.0003","9.0065","0.0002","18.6072","0.0005","90","","92.364","0.001","90","","1855.99","0.08","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N O P -","- C24 H18 N O P -","- C96 H72 N4 O4 P4 -","4","1","","Ye, Wenqiang; Li, Xiaobin; Ding, Bingbing; Wang, Chenchen; Shrestha, Mohini; Ma, Xiang; Chen, Yifeng; Tian, He","Facile Synthesis of Nitrogen-Containing Six-Membered Benzofuzed Phenophosphazinine Oxides and Studies of the Photophysical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02847","","","0.71073","MoKα","","0.0396","0.0338","","","0.0841","0.0886","","","","","","1.051","","","","has coordinates","247229","2020-10-21","18:00:00",""
"4037850","9.4685","0.0002","18.8225","0.0004","21.6751","0.0004","90","","94.809","0.001","90","","3849.36","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 B N P -","- C24 H21 B N P -","- C192 H168 B8 N8 P8 -","8","2","","Ye, Wenqiang; Li, Xiaobin; Ding, Bingbing; Wang, Chenchen; Shrestha, Mohini; Ma, Xiang; Chen, Yifeng; Tian, He","Facile Synthesis of Nitrogen-Containing Six-Membered Benzofuzed Phenophosphazinine Oxides and Studies of the Photophysical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02847","","","0.71073","MoKα","","0.0654","0.0456","","","0.1055","0.1208","","","","","","1.021","","","","has coordinates","247230","2020-10-21","18:00:00",""
"4037851","19.065","0.0005","8.0448","0.0002","21.6927","0.0005","90","","105.039","0.003","90","","3213.14","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 O11 -","- C34 H28 N6 O11 -","- C136 H112 N24 O44 -","4","0.5","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","0.71073","MoKα","","0.0505","0.0417","","","0.0999","0.1068","","","","","","1.053","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037852","6.7593","0.0002","13.8328","0.0003","12.7123","0.0003","90","","92.793","0.002","90","","1187.19","0.05","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0508","0.0494","","","0.1361","0.137","","","","","","1.103","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037853","13.35","0.001","8.1964","0.0005","11.5379","0.0007","90","","109.66","0.007","90","","1188.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0646","0.046","","","0.1127","0.1267","","","","","","1.05","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037854","5.29","0.00009","16.4483","0.0002","12.6312","0.0002","90","","93.837","0.002","90","","1096.6","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C40 H36 N4 O12 S4 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0465","0.0422","","","0.1305","0.1363","","","","","","1.101","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037855","9.6285","0.0002","11.3962","0.0002","9.9019","0.0003","90","","115.8","0.003","90","","978.21","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0441","0.0417","","","0.1249","0.1295","","","","","","1.084","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037856","25.037","0.005","8.0888","0.0015","19.202","0.003","90","","118.618","0.005","90","","3413.7","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 O2 -","- C24 H17 O2 -","- C192 H136 O16 -","8","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0536","0.043","","","0.1219","0.1327","","","","","","1.038","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037857","16.3545","0.0007","11.9821","0.0005","7.3657","0.0003","90","","100.21","0.001","90","","1420.54","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0284","0.0231","","","0.0592","0.0632","","","","","","1.077","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037858","8.128","0.0004","10.6123","0.0006","14.7375","0.0008","84.715","0.002","79.253","0.002","75.963","0.002","1210.15","0.11","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 O6 -","- C32 H22 O6 -","- C64 H44 O12 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0577","0.0438","","","0.0998","0.1079","","","","","","1.041","","","","has coordinates,has disorder","247232","2020-10-21","18:00:00",""
"4037859","7.9733","0.001","10.7024","0.0014","14.7112","0.0019","84.455","0.007","80.196","0.006","74.507","0.006","1190.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 O6 S -","- C30 H20 O6 S -","- C60 H40 O12 S2 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0953","0.0715","","","0.1944","0.2046","","","","","","1.115","","","","has coordinates,has disorder","247232","2020-10-21","18:00:00",""
"4037860","7.9744","0.0003","20.0084","0.0006","7.1794","0.0002","90","","103.779","0.002","90","","1112.54","0.06","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F2 O2 -","- C14 H10 F2 O2 -","- C56 H40 F8 O8 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0356","0.0323","","","0.08","0.0822","","","","","","1.052","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037861","11.4374","0.0005","25.6538","0.0009","7.4152","0.0003","90","","90","","90","","2175.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C48 H104 Cl8 F24 N8 O24 -","8","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.109","0.0623","","","0.1733","0.1978","","","","","","0.993","","","","has coordinates","247268","2020-10-21","18:00:00",""
"4037862","12.5754","0.0018","7.6962","0.0009","10.3772","0.0015","90","","99.556","0.014","90","","990.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N O2 -","- C6 H11 Cl F3 N O2 -","- C24 H44 Cl4 F12 N4 O8 -","4","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.126","0.084","","","0.224","0.2528","","","","","","1.013","","","","has coordinates","247269","2020-10-21","18:00:00",""
"4037863","25.7809","0.0017","6.5384","0.0007","25.2124","0.0018","90","","90","","90","","4249.9","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C96 H208 Cl16 F48 N16 O48 -","16","2","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.0972","0.046","","","0.1097","0.1272","","","","","","0.922","","","","has coordinates","247270","2020-10-21","18:00:00",""
"4037864","11.8335","0.0011","9.7817","0.0006","8.4036","0.0007","90","","109.386","0.009","90","","917.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N O2 -","- C6 H11 Cl F3 N O2 -","- C24 H44 Cl4 F12 N4 O8 -","4","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.0569","0.0467","","","0.1265","0.1313","","","","","","1.041","","","","has coordinates","247271","2020-10-21","18:00:00",""
"4037865","5.731","0.0003","9.8325","0.0006","21.1541","0.0011","90","","97.167","0.004","90","","1182.72","0.11","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O Se -","- C10 H14 N2 O Se -","- C40 H56 N8 O4 Se4 -","4","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.0825","0.0646","","","0.1859","0.217","","","","","","1.143","","","","has coordinates","247319","2020-10-21","18:00:00",""
"4037866","8.4289","0.0003","8.5315","0.0003","21.5452","0.0008","84.363","0.004","82.348","0.003","64.495","0.003","1384.45","0.09","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 I N2 O4 Se -","- C32 H23 I N2 O4 Se -","- C64 H46 I2 N4 O8 Se2 -","2","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1098","0.0683","","","0.2008","0.2205","","","","","","1.006","","","","has coordinates","247320","2020-10-21","18:00:00",""
"4037867","5.2768","0.0006","20.0266","0.0009","15.2838","0.0007","90","","92.826","0.003","90","","1613.2","0.2","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O Se -","- C16 H17 F N2 O Se -","- C64 H68 F4 N8 O4 Se4 -","4","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1886","0.073","","","0.1576","0.2099","","","","","","0.801","","","","has coordinates","247321","2020-10-21","18:00:00",""
"4037868","6.8326","0.0003","11.2722","0.0004","17.3205","0.0008","79.43","0.003","82.686","0.004","73.523","0.003","1253.49","0.09","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 F3 N3 O3 Se -","- C27 H20 F3 N3 O3 Se -","- C54 H40 F6 N6 O6 Se2 -","2","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1179","0.039","","","0.0721","0.0864","","","","","","0.736","","","","has coordinates,has disorder","247322","2020-10-21","18:00:00",""
"4037869","15.7459","0.0008","10.4802","0.0004","20.5472","0.0007","90","","105.505","0.004","90","","3267.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Br Cl N4 O5 -","- C37 H30 Br Cl N4 O5 -","- C148 H120 Br4 Cl4 N16 O20 -","4","1","","Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Tian, Fang; Wang, Li-Xin","Base Catalyzed Abnormal [3 + 2]-Cycloaddition between Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and 3-Methyleneoxindole for the One-step Construction of Tetracyclic Bispirooxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03050","","x-ray","1.54184","CuKα","","0.0573","0.0414","","","0.0992","0.1096","","","","","","1.011","","","","has coordinates","247323","2020-10-21","18:00:00",""
"4037870","9.8347","0.0005","22.0058","0.0012","10.1652","0.0006","90","","94.998","0.002","90","","2191.6","0.2","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 Br F3 N O3 -","- C25 H17 Br F3 N O3 -","- C100 H68 Br4 F12 N4 O12 -","4","2","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","","0.71073","MoKα","","0.0329","0.0293","","","0.0685","0.0701","","","","","","1.013","","","","has coordinates","247324","2020-10-21","18:00:00",""
"4037871","10.6343","0.0005","11.7382","0.0005","20.6645","0.001","90","","90","","90","","2579.5","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br F3 N2 O3 -","- C29 H26 Br F3 N2 O3 -","- C116 H104 Br4 F12 N8 O12 -","4","1","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","x-ray","0.71073","MoKα","","0.0375","0.0292","","","0.0636","0.0688","","","","","","1.064","","","","has coordinates","247325","2020-10-21","18:00:00",""
"4037872","11.4939","0.0005","25.4522","0.001","19.9319","0.0009","90","","95.614","0.004","90","","5803","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl N3 O4 S -","- C31 H34 Cl N3 O4 S -","- C248 H272 Cl8 N24 O32 S8 -","8","2","","Liang, Guoduan; Pang, Yadong; Ji, Yanjun; Zhuang, Kaitong; Li, Linji; Xie, Fukai; Yang, Lu; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang","Diastereoselective Syntheses of Spiro[indoline-3,4'-pyridin]-2-yl)carbamates via AgOTf/Ph3P-Catalyzed Tandem Cyclizations of Tryptamine-Ynesulfonamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02839","","x-ray","0.71073","MoKα","","0.0626","0.0451","","","0.0972","0.1069","","","","","","1.038","","","","has coordinates","247326","2020-10-21","18:00:00",""
"4037873","4.2243","0.0008","10.511","0.002","34.796","0.007","90","","93.12","0.03","90","","1542.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Zhang, Jin; Wang, Xiaogang; Chen, Di; Kang, Yifan; Ma, Yangmin; Szostak, Michal","Synthesis of C6-Substituted Isoquinolino[1,2-b]quinazolines via Rh(III)-Catalyzed C-H Annulation with Sulfoxonium Ylides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03065","","","0.71073","MoKα","","0.2948","0.1001","","","0.1626","0.2176","","","","","","0.982","","","","has coordinates","247388","2020-10-21","18:00:00",""
"4037874","27.769","0.002","5.4256","0.0004","11.013","0.0008","90","","109.947","0.003","90","","1559.7","0.2","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H15 F O -","- C21 H15 F O -","- C84 H60 F4 O4 -","4","1","","Gu, Chang-Xue; Chen, Wen-Wen; Xu, Ming-Hua","Pd(II)-Catalyzed Asymmetric Annulation towards the Synthesis of 2,3-Disubstituted Chiral Indenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02958","","","1.54178","CuKα","","0.0336","0.0326","","","0.0883","0.0896","","","","","","1.028","","","","has coordinates","247389","2020-10-21","18:00:00",""
"4037875","11.8432","0.0011","7.9837","0.0009","18.2139","0.0018","90","","103.536","0.01","90","","1674.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 Se -","- C17 H20 N2 O2 Se -","- C68 H80 N8 O8 Se4 -","4","1","","Liu, Hua-Wei; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun","Base-promoted Multicomponent Reactions: A Synthesis of 2-Amino-1,3-Selenazole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03234","","","0.71073","MoKα","","0.1402","0.0605","","","0.1183","0.1574","","","","","","1.015","","","","has coordinates","247390","2020-10-21","18:00:00",""
"4037876","15.8429","0.0016","15.1141","0.0015","9.6013","0.001","90","","95.301","0.003","90","","2289.2","0.4","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C52 H74 O6 -","- C51 H71 O6 -","- C102 H142 O12 -","2","1","","Cornelissen, Milo D.; Pilon, Simone; Steemers, Luuk; Wanner, Martin J.; Frölke, Steven; Zuidinga, Ed; Jorgensen, Steen Ingemann; van der Vlugt, Jarl Ivar; van Maarseveen, Jan H.","A covalent and modular synthesis of homo and hetero [n]rotaxanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03030","","","0.71073","MoKα","","0.2594","0.1643","","","0.2888","0.3261","","","","","","1.639","","","","has coordinates","247391","2020-10-21","18:00:00",""
"4037877","8.7409","0.0019","12.748","0.003","13.057","0.003","105.542","0.006","94.855","0.006","96.174","0.006","1383.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 N3 O3 -","- C31 H38 N3 O3 -","- C62 H76 N6 O6 -","2","1","","Cornelissen, Milo D.; Pilon, Simone; Steemers, Luuk; Wanner, Martin J.; Frölke, Steven; Zuidinga, Ed; Jorgensen, Steen Ingemann; van der Vlugt, Jarl Ivar; van Maarseveen, Jan H.","A covalent and modular synthesis of homo and hetero [n]rotaxanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03030","","","0.71073","MoKα","","0.1835","0.1547","","","0.3741","0.4082","","","","","","3.084","","","","has coordinates","247392","2020-10-21","18:00:00",""
"4037878","9.6913","0.0003","16.8368","0.0003","11.7014","0.0003","90","","108.615","0.003","90","","1809.44","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0773","0.0476","","","0.1099","0.1265","","","","","","1.04","","","","has coordinates","247856","2020-10-21","18:00:00",""
"4037879","14.541","0.005","9.003","0.003","15.044","0.005","90","","99.262","0.006","90","","1943.8","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","","0.71073","MoKα","","0.0598","0.046","","","0.1255","0.1356","","","","","","1.04","","","","has coordinates","247857","2020-10-21","18:00:00",""
"4037880","10.6946","0.0004","9.1589","0.0004","18.4833","0.0009","90","","99.212","0.004","90","","1787.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0996","0.061","","","0.1444","0.1756","","","","","","1.032","","","","has coordinates","247858","2020-10-21","18:00:00",""
"4037881","8.35","0.004","11.844","0.005","27.87","0.013","90","","92.594","0.007","90","","2753","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl N2 O4 S2 -","- C28 H27 Cl N2 O4 S2 -","- C112 H108 Cl4 N8 O16 S8 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","","0.71073","MoKα","","0.0828","0.0667","","","0.1944","0.2095","","","","","","1.036","","","","has coordinates","247859","2020-10-21","18:00:00",""
"4037882","9.9394","0.0009","11.9322","0.001","13.6398","0.0006","70.892","0.006","77.159","0.007","86.585","0.007","1490.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O5 S2 -","- C33 H32 N2 O5 S2 -","- C66 H64 N4 O10 S4 -","2","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.1327","0.0634","","","0.1207","0.1688","","","","","","1.039","","","","has coordinates","247860","2020-10-21","18:00:00",""
"4037883","13.9899","0.0005","8.3035","0.0003","15.1181","0.0006","90","","104.696","0.004","90","","1698.74","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0853","0.0512","","","0.1142","0.1335","","","","","","1.061","","","","has coordinates","247861","2020-10-21","18:00:00",""
"4037884","12.1509","0.0003","23.4957","0.0005","20.3383","0.0005","90","","106.84","0.001","90","","5557.5","0.2","170","2","169.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 Cl2 F4 N4 Pd2 -","- C56 H78 Cl2 F4 N4 Pd2 -","- C224 H312 Cl8 F16 N16 Pd8 -","4","1","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","1.34139","GaKα","","0.0829","0.0774","","","0.2103","0.2178","","","","","","1.044","","","","has coordinates","247862","2020-10-21","18:00:00",""
"4037885","16.8572","0.0006","12.4408","0.0004","34.1009","0.0013","90","","103.498","0.001","90","","6954","0.4","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 F2 N2 O2 Pd -","- C33 H48 F2 N2 O2 Pd -","- C264 H384 F16 N16 O16 Pd8 -","8","2","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","0.71073","MoKα","","0.0465","0.0342","","","0.0858","0.0949","","","","","","1.041","","","","has coordinates,has disorder","247863","2020-10-21","18:00:00",""
"4037886","12.505","0.0006","17.9473","0.0007","13.6621","0.0006","90","","94.227","0.002","90","","3057.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F2 N2 O2 Pd -","- C30 H42 F2 N2 O2 Pd -","- C120 H168 F8 N8 O8 Pd4 -","4","1","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","0.71073","MoKα","","0.1006","0.0679","","","0.1832","0.2226","","","","","","1.025","","","","has coordinates","247864","2020-10-21","18:00:00",""
"4037887","11.3777","0.0017","9.7451","0.0015","19.06","0.003","90","","95.769","0.006","90","","2102.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0594","0.0486","","","0.131","0.1392","","","","","","1.052","","","","has coordinates","247865","2020-10-21","18:00:00",""
"4037888","21.3859","0.0014","9.954","0.0008","20.1133","0.0014","90","","90.644","0.002","90","","4281.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C200 H200 N24 O16 -","8","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0522","0.0478","","","0.1226","0.1263","","","","","","1.072","","","","has coordinates","247866","2020-10-21","18:00:00",""
"4037889","9.852","0.005","10.061","0.005","21.49","0.005","90","0.005","98.006","0.005","90","0.005","2109.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0802","0.061","","","0.1397","0.1507","","","","","","1.091","","","","has coordinates","247867","2020-10-21","18:00:00",""
"4037890","9.501","0.0001","10.4714","0.0001","13.6454","0.0003","72.685","0.001","72.133","0.001","85.192","0.001","1233.49","0.03","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 N3 O3 S Se -","- C27 H23 N3 O3 S Se -","- C54 H46 N6 O6 S2 Se2 -","2","1","","Obah Kosso, Anne Roly; Kabri, Youssef; Broggi, Julie; Redon, Sébastien; Vanelle, Patrice","Sequential Regioselective Di-organochalcogenations of Imidazo[1,2-<i>a</i>]pyrimidines using I<sub>2</sub>/H<sub>3</sub>PO<sub>4</sub> in DMSO.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02963","","x-ray","1.54184","CuKα","","0.0393","0.0375","","","0.1013","0.1034","","","","","","1.043","","","","has coordinates,has disorder","247868","2020-10-21","18:00:00",""
"4037891","9.7","0.003","6.943","0.002","15.369","0.005","90","","103.485","0.004","90","","1006.5","0.5","89.95","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O6 P -","- C22 H20 N O6 P -","- C44 H40 N2 O12 P2 -","2","1","","Arai, Ryoga; Hirashima, Shin-Ichi; Nakano, Tatsuki; Kawada, Masahiro; Akutsu, Hiroshi; Nakashima, Kosuke; Miura, Tsuyoshi","Asymmetric Conjugate Addition of Phosphonates to Enones Using Cinchona-Diaminomethylenemalononitrile Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02553","","x-ray","0.71073","MoKα","K-L~3~","0.0341","0.0322","","","0.0779","0.0796","","","","","","1.036","","","","has coordinates,has disorder","247869","2020-10-21","18:00:00",""
"4037892","15.549","0.008","11.015","0.006","17.36","0.009","90","","95.236","0.008","90","","2961","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Pirovano, Valentina; Brambilla, Elisa; Moretti, Andrea; Rizzato, Silvia; Abbiati, Giorgio; Nava, Donatella; Rossi, Elisabetta","Synthesis of cyclohepta[b]indoles by (4+3) cycloaddition of 2-vinylindoles or 4H-furo[3,2-b]indoles with oxyallyl cations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03117","","x-ray","0.71073","MoKα","","0.0643","0.0469","","","0.1252","0.1399","","","","","","1.056","","","","has coordinates","247920","2020-10-21","18:00:00",""
"4037896","5.3666","0.0002","9.7979","0.0005","12.3394","0.0006","112.818","0.005","94.908","0.004","92.972","0.004","593.29","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Kumar, Anil; Prabhu, Kandikere Ramaiah","Rhodium(III)-Catalyzed C-H Activation: A Cascade Approach for the Regioselective Synthesis of Fused Heterocyclic Lactone Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03266","","x-ray","0.71073","MoKα","","0.053","0.0412","","","0.1131","0.121","","","","","","1.095","","","","has coordinates","248006","2020-10-21","18:00:00",""
"4037897","7.6463","0.0011","11.753","0.002","12.203","0.003","117.17","0.02","100.016","0.017","90.347","0.015","956.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","2","","Kumar, Anil; Prabhu, Kandikere Ramaiah","Rhodium(III)-Catalyzed C-H Activation: A Cascade Approach for the Regioselective Synthesis of Fused Heterocyclic Lactone Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03266","","x-ray","0.71073","MoKα","","0.1158","0.0826","","","0.2479","0.2708","","","","","","1.06","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037898","19.0731","0.0005","42.4808","0.0013","7.1555","0.0002","90","","90","","90","","5797.7","0.3","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C63 H74 Cl2 O12 -","- C63 H74 Cl2 O12 -","- C252 H296 Cl8 O48 -","4","1","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0743","0.0473","","","0.0988","0.1111","","","","","","1.037","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037899","11.2613","0.0002","11.2613","0.0002","24.166","0.0009","90","","90","","120","","2654.07","0.12","200","2","200","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Cl3 D I3 O3 -","- C33 H32.9997 Cl3 D I3 O3 -","- C99 H98.9991 Cl9 D3 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0644","0.0587","","","0.1411","0.1463","","","","","","1.094","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037900","16.4649","0.0009","16.4724","0.0009","16.8345","0.0009","85.833","0.004","65.957","0.004","65.08","0.004","3754.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 F9 O9 S3 -","- C35 H33 F9 O9 S3 -","- C140 H132 F36 O36 S12 -","4","2","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.1671","0.0758","","","0.1635","0.2061","","","","","","1.03","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037901","10.0964","0.0009","11.2035","0.001","15.5435","0.0014","81.8372","0.0015","83.712","0.0015","64.6173","0.0013","1570.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 Br6 O3 -","- C32 H30 Br6 O3 -","- C64 H60 Br12 O6 -","2","1","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","0.71073","MoKα","","0.0642","0.0377","","","0.0897","0.0999","","","","","","1.02","","","","has coordinates","248009","2020-10-21","18:00:00",""
"4037902","11.2774","0.0005","11.2774","0.0005","24.1597","0.0016","90","","90","","120","","2661","0.2","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H34 Cl3 I3 O3 -","- C33 H33.9997 Cl3 I3 O3 -","- C99 H101.999 Cl9 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","0.71073","MoKα","","0.0242","0.0224","","","0.0463","0.0472","","","","","","1.069","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037903","7.6901","0.0006","8.959","0.0006","15.0201","0.0011","82.501","0.006","89.134","0.006","82.478","0.006","1017.14","0.13","293","2","293","2","","","","","","","Synthesize","3","P -1","-P 1","2","","","","- C25 H28 O -","- C25 H28 O -","- C50 H56 O2 -","2","1","","Jesin, Irfana; Mercy, A. Antony Haritha; S, Ravindra; Kataria, Ramesh; Nandi, Ganesh Chandra","A mild and metal-free protocol towards the synthesis of triarylmethanes by reactions of (hetero)arylboronic acids and ortho-hydroxyarylaldehydes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02807","","x-ray","0.71073","MoKα","","0.1358","0.0685","","","0.172","0.21","","","","","","1","","","","has coordinates","248010","2020-10-21","18:00:00",""
"4037904","20.0913","0.0009","5.7683","0.0003","8.6111","0.0003","90","","100.739","0.001","90","","980.49","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dibenzyl (2,5-dioxopiperazine-1,4-diyl)dicarbamate","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C40 H40 N8 O12 -","2","0.5","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.0502","0.0414","","","0.1259","0.1391","","","","","","0.836","","","","has coordinates","248053","2020-10-21","18:00:00",""
"4037905","5.8031","0.0006","11.3443","0.0009","22.168","0.003","90","","90","","90","","1459.4","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-methoxy-N-(3-methyl-2,5-dioxopiperazin-1-yl)benzamide","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.0933","0.0548","","","0.1391","0.1728","","","","","","0.885","","","","has coordinates","248054","2020-10-21","18:00:00",""
"4037906","5.9113","0.0004","8.836","0.0005","30.1022","0.0019","90","","91.803","0.002","90","","1571.53","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-isobutyl-2,5-dioxopiperazin-1-yl)benzamide","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.1427","0.0548","","","0.1444","0.2031","","","","","","1.008","","","","has coordinates","248055","2020-10-21","18:00:00",""
"4037907","9.6068","0.0006","6.5971","0.0004","20.956","0.0014","90","","99.521","0.003","90","","1309.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Vázquez-Amaya, Laura Y; Quintero, Leticia; Rodríguez-Molina, Braulio; Sartillo-Piscil, Fernando","Transition-Metal-Free Total Synthesis and Revision of the Absolute Configuration of Pipermethystine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03218","","","1.54178","CuKα","","0.045","0.0394","","","0.0874","0.0914","","","","","","1.081","","","","has coordinates","248093","2020-10-21","18:00:00",""
"4037908","9.411","0.0005","13.234","0.0006","14.8269","0.0007","87.531","0.003","74.064","0.003","87.739","0.003","1773.27","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H16 O2 -","- C25 H16 O2 -","- C100 H64 O8 -","4","2","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.71073","MoKα","","0.0635","0.0392","","","0.086","0.0963","","","","","","1.013","","","","has coordinates","248094","2020-10-21","18:00:00",""
"4037909","13.208","0.004","14.175","0.004","16.004","0.005","92.418","0.003","106.431","0.003","112.587","0.003","2614.7","1.4","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H26 -","- C38 H26 -","- C152 H104 -","4","2","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.71073","MoKα","","0.1422","0.0678","","","0.1481","0.1971","","","","","","1.057","","","","has coordinates,has disorder","248095","2020-10-21","18:00:00",""
"4037910","13.916","0.003","13.548","0.003","18.394","0.004","90","","92.99","0.03","90","","3463.2","1.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 Cl2 N O4 S -","- C41 H31 Cl2 N O4 S -","- C164 H124 Cl8 N4 O16 S4 -","4","1","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.73","synchrotron","","0.1227","0.0967","","","0.2819","0.3061","","","","","","1.106","","","","has coordinates,has disorder","248096","2020-10-21","18:00:00",""
"4037911","4.947","0.006","21.64","0.03","11.754","0.014","90","","100.195","0.018","90","","1238","3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Bian, Qilong; Wu, Cunluo; Yuan, Jiangpei; Shi, Zuodong; Ding, Tao; Huang, Yongwei; Xu, Yuanqing; Xu, Hao","Iron Nitrate-Mediated Selective Synthesis of 3-Acyl-1,2,4-Oxadiazoles from Alkynes and Nitriles: The Dual Roles of Iron Nitrate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03070","","","0.71073","MoKα","","0.1252","0.0509","","","0.1173","0.1462","","","","","","1.015","","","","has coordinates","248097","2020-10-21","18:00:00",""
"4037912","29.091","0.009","8.713","0.003","17.546","0.006","90","","102.525","0.012","90","","4342","3","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N3 O -","- C28 H25 N3 O -","- C224 H200 N24 O8 -","8","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.1131","0.0588","","","0.1141","0.1305","","","","","","1.013","","","","has coordinates,has disorder","248098","2020-10-21","18:00:00",""
"4037913","9.7253","0.0006","7.5932","0.0005","21.9133","0.0011","90","","92.088","0.002","90","","1617.14","0.17","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 S -","- C20 H13 N5 S -","- C80 H52 N20 S4 -","4","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.0623","0.0391","","","0.0915","0.0975","","","","","","1.05","","","","has coordinates","248099","2020-10-21","18:00:00",""
"4037914","14.502","0.005","11.158","0.004","15.629","0.006","90","","116.616","0.009","90","","2261","1.4","250","1","250","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 S -","- C28 H25 N3 S -","- C112 H100 N12 S4 -","4","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.1904","0.0534","","","0.0991","0.118","","","","","","0.897","","","","has coordinates","248100","2020-10-21","18:00:00",""
"4037915","7.8191","0.0007","8.211","0.0008","13.3817","0.0013","80.524","0.003","73.188","0.003","67.372","0.003","757.73","0.13","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 N5 O -","- C20 H13 N5 O -","- C40 H26 N10 O2 -","2","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.0493","0.0423","","","0.1187","0.1234","","","","","","1.083","","","","has coordinates","248101","2020-10-21","18:00:00",""
"4037916","4.6446","0.0008","8.456","0.002","10.71","0.0016","89.422","0.018","86.974","0.013","80.489","0.018","414.27","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.103","0.0872","","","0.2302","0.2656","","","","","","1.061","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037917","18.5157","0.001","9.4421","0.0005","7.9012","0.0004","90","","101.918","0.005","90","","1351.57","0.13","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0572","0.0473","","","0.1089","0.1168","","","","","","1.061","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037918","6.9199","0.0004","7.5328","0.0005","7.9552","0.0005","96.283","0.006","97.67","0.005","109.017","0.006","383.32","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","","1.54184","CuKα","","0.0551","0.0541","","0.1519","0.1504","0.1519","","","","","","1.0043","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037919","5.6345","0.0004","6.4841","0.0005","25.9775","0.0017","90","","95.661","0.007","90","","944.45","0.12","150","0.1","150","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","0.5","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0445","0.0394","","","0.1005","0.1044","","","","","","1.06","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037920","6.816","0.0004","11.4782","0.0005","11.3108","0.0005","90","","102.768","0.005","90","","863.02","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0941","0.0604","","","0.1245","0.148","","","","","","1.08","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037921","3.8928","0.001","9.3628","0.0016","10.7006","0.0014","81.053","0.012","83.731","0.016","79.026","0.018","376.94","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0813","0.0649","","","0.1636","0.176","","","","","","1.029","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037922","3.7878","0.0003","9.6277","0.0008","10.3407","0.0008","63.995","0.008","84.352","0.007","80.203","0.007","333.86","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C14 H14 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0407","0.0362","","","0.0947","0.0985","","","","","","1.051","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037923","6.225","0.0014","7.862","0.003","8.7433","0.0018","103.85","0.02","94.753","0.018","95.55","0.02","411","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 F3 N O3 -","- C7 H6 F3 N O3 -","- C14 H12 F6 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.1294","0.0856","","","0.2063","0.2456","","","","","","1.024","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037924","6.5474","0.0007","7.2418","0.0007","7.6043","0.0007","77.401","0.008","85.073","0.008","78.699","0.009","344.7","0.06","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C16 H14 N2 O4 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0564","0.045","","","0.1118","0.1211","","","","","","1.051","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037925","9.652","0.0004","9.3307","0.0005","13.2182","0.0006","90","","90","","90","","1190.43","0.1","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C48 H56 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0504","0.0464","","","0.1286","0.133","","","","","","1.082","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037926","7.9702","0.0003","9.4474","0.0003","12.8774","0.0004","90","","99.231","0.003","90","","957.08","0.06","109.85","0.1","109.85","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 -","- C24 H25 N3 -","- C48 H50 N6 -","2","1","","Chen, Yang; Li, Siqi; Hou, Shili; Xu, Jiaxi; Yang, Zhanhui","Chiral Synthesis of McGeachin-Type Bisaminals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03362","","x-ray","1.54184","CuKα","","0.0329","0.0323","","","0.0857","0.0863","","","","","","1.033","","","","has coordinates","248141","2020-10-21","18:00:00",""
"4037927","5.449","0.005","13.428","0.012","18.08","0.017","89.11","0.02","89.82","0.03","89.99","0.03","1323","2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy","Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03160","","","0.71073","MoKα","","0.2965","0.0828","","","0.1505","0.2277","","","","","","0.91","","","","has coordinates","248180","2020-10-21","18:00:00",""
"4037928","5.518","0.009","12.69","0.02","15.56","0.03","73.19","0.05","90","","90","","1043","3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","2","","Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy","Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03160","","","0.71073","MoKα","","0.2583","0.1451","","","0.3266","0.4302","","","","","","0.919","","","","has coordinates","248181","2020-10-21","18:00:00",""
"4037929","17.669","0.002","10.1689","0.0013","18.228","0.002","90","","90","","90","","3275.1","0.7","297.15","","297.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,1,3-triphenylprop-2-en-1-imine","","- C21 H17 N -","- C21 H17 N -","- C168 H136 N8 -","8","1","","Schmidt, Elena Yu; Bidusenko, Ivan A.; Protsuk, Nadezhda I.; Demyanov, Yan; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Transition Metal-Free Superbase-Catalyzed C-H Vinylation of Aldimines with Acetylenes to 1-Azadienes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03192","","x-ray","0.71073","MoKα","","0.1288","0.0602","","","0.1205","0.1433","","","","","","1.102","","","","has coordinates","248182","2020-10-21","18:00:00",""
"4037930","7.2002","0.0013","12.128","0.003","14.45","0.003","83.283","0.014","85.532","0.008","84.093","0.013","1243.7","0.5","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 N6 -","- C34 H22 N6 -","- C68 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54187","CuKα","","0.0507","0.0355","","","0.0855","0.0929","","","","","","1.003","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037931","16.563","0.005","9.251","0.002","19.834","0.005","90","","93.794","0.009","90","","3032.4","1.4","93","2","93","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H30 N6 O2 Zn -","- C38 H30 N6 O2 Zn -","- C152 H120 N24 O8 Zn4 -","4","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54187","CuKα","","0.0985","0.0543","","","0.1293","0.1556","","","","","","1.007","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037932","11.8237","0.0003","7.5942","0.0001","31.358","0.0007","90","","98.836","0.002","90","","2782.27","0.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N6 S2 -","- C34 H28 N6 S2 -","- C136 H112 N24 S8 -","4","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0748","0.0656","","","0.1804","0.1892","","","","","","1.02","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037933","7.1722","0.0001","12.1545","0.0002","12.7903","0.0002","88.7385","0.0015","88.2632","0.0014","85.3929","0.0014","1110.66","0.03","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 N6 -","- C30 H20 N6 -","- C60 H40 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0425","0.0375","","","0.1012","0.1048","","","","","","1.056","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037934","6.9194","0.0002","20.1673","0.0005","20.3722","0.0007","62.739","0.003","85.551","0.002","87.33","0.002","2519.28","0.15","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 N12 O2.5 Zn2 -","- C62 H44 N12 O2.5 Zn2 -","- C124 H88 N24 O5 Zn4 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0519","0.0403","","","0.1046","0.1115","","","","","","1.039","","","","has coordinates,has disorder","248183","2020-10-21","18:00:00",""
"4037935","7.084","0.0003","12.3593","0.0006","12.9315","0.0007","89.408","0.004","89.035","0.004","83.887","0.004","1125.56","0.1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0533","0.0418","","","0.1095","0.1171","","","","","","1.026","","","","has coordinates,has disorder","248183","2020-10-21","18:00:00",""
"4037936","7.1923","0.0002","12.3366","0.0004","12.7515","0.0003","89.057","0.002","88.165","0.002","83.635","0.002","1123.78","0.05","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0563","0.0466","","","0.1257","0.1327","","","","","","1.033","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037937","5.9601","0.0002","17.5009","0.0006","29.1554","0.0008","90","","90","","90","","3041.12","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 F2 N O6 S -","- C31 H43 F2 N O6 S -","- C124 H172 F8 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0624","0.0594","","","0.1648","0.169","","","","","","1.072","","","","has coordinates","248241","2020-10-21","18:00:00",""
"4037938","5.8864","0.0002","17.578","0.0004","29.0647","0.0007","90","","90","","90","","3007.36","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 F5 N O6 S -","- C28 H40 F5 N O6 S -","- C112 H160 F20 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0277","0.0267","","","0.0669","0.0675","","","","","","1.063","","","","has coordinates","248242","2020-10-21","18:00:00",""
"4037939","14.7777","0.0003","6.0257","0.0001","15.3581","0.0003","90","","99.641","0.001","90","","1348.26","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H43 N O5 S -","- C28 H43 N O5 S -","- C56 H86 N2 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","","1.54178","CuKα","","0.0257","0.0251","","","0.0646","0.0649","","","","","","1.049","","","","has coordinates","248243","2020-10-21","18:00:00",""
"4037940","6.742","0.0001","21.9829","0.0003","9.798","0.0002","90","","94.208","0.001","90","","1448.23","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H46 N2 O5 S -","- C29 H46 N2 O5 S -","- C58 H92 N4 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0234","0.0233","","","0.0603","0.0604","","","","","","1.032","","","","has coordinates","248244","2020-10-21","18:00:00",""
"4037941","9.0479","0.0002","17.6034","0.0005","19.2922","0.0005","90","","90","","90","","3072.74","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 N3 O5 S -","- C30 H47 N3 O5 S -","- C120 H188 N12 O20 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0748","0.0759","","","","","","1.034","","","","has coordinates","248245","2020-10-21","18:00:00",""
"4037942","10.066","0.0007","13.5727","0.0011","25.2821","0.0017","90","","90","","90","","3454.1","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C168 H144 N32 -","8","1","","Sar, Saibal; Tripathi, Ankita; Dubey, Kshatresh Dutta; Sen, Subhabrata","Iodine-Catalyzed Aerobic Diazenylation-Amination of Indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03392","","","0.71073","MoKα","","0.115","0.0542","","","0.1156","0.1459","","","","","","1.013","","","","has coordinates","248263","2020-10-21","18:00:00",""
"4037943","9.885","0.005","13.354","0.007","21.226","0.01","90","","96.21","0.006","90","","2785","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N Se -","- C18 H13 N Se -","- C144 H104 N8 Se8 -","8","2","","Chen, Wenqi; Zhu, Xiaoming; Wang, Fei; Yang, Yuan; Deng, Guobo; Liang, Yun","Iodine-Catalyzed Three-Component Cascade Reaction for the Synthesis of Substituted 2-Phenylnaphtho[1,3]selenazoles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03154","","","0.71073","MoKα","","0.0553","0.0414","","","0.1038","0.1082","","","","","","1.051","","","","has coordinates","248296","2020-10-21","18:00:00",""
"4037944","12.0249","0.0011","7.4099","0.0006","13.555","0.0012","90","","113.483","0.003","90","","1107.76","0.17","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","JA-TFG-1","","","- C23 H29 N3 O5 -","- C23 H29 N3 O5 -","- C46 H58 N6 O10 -","2","1","","Navo, Claudio D.; Mazo, Nuria; Oroz, Paula; Gutiérrez-Jiménez, Marta I; Marín, Javier; Asenjo, Juan; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Zurbano, María M; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","Synthesis of <i>N</i><i> <sub>β</sub> </i>-Substituted α,β-Diamino Acids via Stereoselective <i>N</i>-Michael Additions to a Chiral Bicyclic Dehydroalanine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03020","","x-ray","0.71076","MoKα","","0.0522","0.0389","","","0.1007","0.1055","","","","","","1.062","","","","has coordinates","248297","2020-10-21","18:00:00",""
"4037945","10.60302","0.00019","10.85734","0.00019","24.9687","0.0004","90","","90","","90","","2874.41","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 F N3 O5 -","- C28 H32 F N3 O5 -","- C112 H128 F4 N12 O20 -","4","1","","Li, Zhanhuan; Peng, Jingyi; He, Chonglong; Xu, Jianfeng; Ren, Hongjun","Squaramide-Catalyzed Asymmetric Mannich Reactions of Azlactones with Isatin-Derived Ketimines: Access to α,β-Diamino Acid Derivatives Bearing Vicinal Quaternary Stereocenters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03000","","","1.54184","CuKα","","0.0398","0.039","","","0.1089","0.1102","","","","","","1.022","","","","has coordinates","248298","2020-10-21","18:00:00",""
"4037946","11.7641","0.0012","15.9708","0.0017","9.3316","0.001","90","","101.481","0.001","90","","1718.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br N2 -","- C20 H17 Br N2 -","- C80 H68 Br4 N8 -","4","1","","Shen, Xuanyu; Shatskiy, Andrey; Chen, Yan; Kärkäs, Markus D; Wang, Xiang-Shan; Liu, Jian-Quan","Silver-Assisted [3 + 2] Annulation of Nitrones with Isocyanides: Synthesis of 2,3,4-Trisubstituted 1,2,4-Oxadiazolidin-5-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03279","","","0.71073","MoKα","","0.0436","0.0336","","","0.0858","0.0905","","","","","","1.032","","","","has coordinates","248348","2020-10-21","18:00:00",""
"4037947","17.9016","0.0014","6.3035","0.0005","17.9016","0.0014","90","","119.03","","90","","1766.3","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Shen, Xuanyu; Shatskiy, Andrey; Chen, Yan; Kärkäs, Markus D; Wang, Xiang-Shan; Liu, Jian-Quan","Silver-Assisted [3 + 2] Annulation of Nitrones with Isocyanides: Synthesis of 2,3,4-Trisubstituted 1,2,4-Oxadiazolidin-5-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03279","","","0.71073","MoKα","","0.047","0.0364","","","0.0902","0.0965","","","","","","1.052","","","","has coordinates","248349","2020-10-21","18:00:00",""
"4037948","7.797","0.0004","8.5423","0.0004","9.3211","0.0004","96.609","0.004","93.905","0.004","91.966","0.004","614.71","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C24 H26 N6 O8 -","2","1","","Pan, Zhengbing; Mao, Kaimin; Zhu, Guangzhou; Wang, Chang; Zhang, Jinpeng; Rong, Liangce","Copper-catalyzed Annulation Reaction of Alkenes and N-alkyl(aryl)-1- (methylthio)-2-nitroethenamine: an Approach for the Synthesis of Isoxazole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03157","","x-ray","0.71073","MoKα","","0.045","0.0384","","","0.0978","0.1026","","","","","","1.048","","","","has coordinates","248350","2020-10-21","18:00:00",""
"4037949","10.7452","0.0001","8.6766","0.0001","34.0401","0.0003","90","","90","","90","","3173.62","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0321","0.0314","","","0.0769","0.0775","","","","","","1.07","","","","has coordinates","248383","2020-10-21","18:00:00",""
"4037950","9.3967","0.0002","14.1104","0.0002","18.2896","0.0004","90","","94.481","0.002","90","","2417.63","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N O6 S -","- C26 H29 N O6 S -","- C104 H116 N4 O24 S4 -","4","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0373","0.0339","","","0.0923","0.094","","","","","","1.061","","","","has coordinates","248384","2020-10-21","18:00:00",""
"4037951","22.723","0.0004","9.998","0.0002","15.819","0.0005","90","","90","","90","","3593.83","0.15","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0554","0.0518","","","0.1388","0.1425","","","","","","1.106","","","","has coordinates","248385","2020-10-21","18:00:00",""
"4037952","19.1173","0.0004","20.3155","0.0005","13.0813","0.0003","90","","126.62","0.03","90","","4077.6","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl F N2 O4 S -","- C24 H16 Cl F N2 O4 S -","- C192 H128 Cl8 F8 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.54178","CuKα","","0.0364","0.0357","","","0.0938","0.0944","","","","","","1.064","","","","has coordinates","248386","2020-10-21","18:00:00",""
"4037953","9.0783","0.0002","10.2205","0.0002","25.0955","0.0004","90","","90","","90","","2328.48","0.08","170","2","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br2 N2 O4 S -","- C24 H18 Br2 N2 O4 S -","- C96 H72 Br8 N8 O16 S4 -","4","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0361","0.0331","","","0.0758","0.0778","","","","","","1.062","","","","has coordinates","248387","2020-10-21","18:00:00",""
"4037954","12.45","0.0013","17.1118","0.0019","20.259","0.002","90","","90","","90","","4316","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C216 H176 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","0.71073","MoKα","","0.0596","0.049","","","0.1171","0.1239","","","","","","1.095","","","","has coordinates","248388","2020-10-21","18:00:00",""
"4037955","8.7367","0.0004","8.7367","0.0004","56.083","0.004","90","","90","","90","","4280.8","0.4","170","2","170","","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H17 Br N2 O4 S -","- C24 H17 Br N2 O4 S -","- C192 H136 Br8 N16 O32 S8 -","8","2","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0891","0.0839","","","0.2309","0.2347","","","","","","1.08","","","","has coordinates","248389","2020-10-21","18:00:00",""
"4037956","17.7095","0.001","9.6147","0.0004","18.3936","0.001","90","","104.458","0.005","90","","3032.7","0.3","293.01","0.1","293.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","1","","Shi, Zhaojiang; Wang, Lianhui; Yang, Zi; Jie, Lianghua; Liu, Xiao; Cui, Xiuling","Tandem Construction of Indole-Fused Phthalazines from (2-Alkynylbenzylidene)hydrazines under Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02937","","x-ray","0.71073","MoKα","","0.0812","0.0538","","","0.1244","0.14","","","","","","1.03","","","","has coordinates","248390","2020-10-21","18:00:00",""
"4037957","9.682","0.002","6.4255","0.0014","26.074","0.006","90","","100.179","0.008","90","","1596.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 Cl2 O5 -","- C13 H18 Cl2 O5 -","- C52 H72 Cl8 O20 -","4","2","","Sunnapu, Ranganayakulu; Banoth, Saikumar Naik; R S, Reyno; Thomas, Aleena; Venugopal, Navyasree; Rajendar, Goreti","Stereoselective Total Synthesis of (-)-(2S,4R)-3'-Methoxyl Citreochlorol: Preparation and Use of New Proline Based Auxiliary for Asymmetric Acetate Aldol Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03227","","","0.71073","MoKα","","0.1381","0.0805","","","0.2178","0.267","","","","","","1.04","","","","has coordinates,has disorder","248423","2020-10-21","18:00:00",""
"4037958","3.999","0.002","18.448","0.01","18.493","0.011","90","","90.662","0.019","90","","1364.2","1.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Han, Xu; Gao, Feng; Li, Chunpu; Fang, Daqing; Xie, Xiong; Zhou, Yu; Liu, Hong","Synthesis of Highly Fused Pyrano[2,3-b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03102","","","0.71073","MoKα","","0.0986","0.059","","","0.1253","0.1434","","","","","","1.074","","","","has coordinates","248439","2020-10-21","18:00:00",""
"4037959","14.42","0.0017","19.703","0.002","10.3796","0.0012","90","","90.12","0.05","90","","2949","0.6","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Han, Xu; Gao, Feng; Li, Chunpu; Fang, Daqing; Xie, Xiong; Zhou, Yu; Liu, Hong","Synthesis of Highly Fused Pyrano[2,3-b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03102","","","1.54178","CuKα","","0.0377","0.0368","","","0.1027","0.1035","","","","","","0.97","","","","has coordinates","248440","2020-10-21","18:00:00",""
"4037960","10.75286","0.00007","10.8363","0.00007","41.113","0.0003","90","","90","","90","","4790.54","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C216 H208 N16 O56 -","8","2","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0242","0.0238","","","0.0603","0.0605","","","","","","1.021","","","","has coordinates","248464","2020-10-21","18:00:00",""
"4037961","8.35326","0.00014","5.76025","0.00011","11.5435","0.0002","90","","95.1416","0.0016","90","","553.202","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C20 H28 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0222","0.0221","","","0.0578","0.0579","","","","","","1.065","","","","has coordinates","248465","2020-10-21","18:00:00",""
"4037962","5.99677","0.00007","7.61343","0.00008","20.4686","0.0002","90","","92.4786","0.001","90","","933.64","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.034","0.0338","","","0.088","0.0882","","","","","","1.028","","","","has coordinates","248466","2020-10-21","18:00:00",""
"4037963","5.9124","0.00008","6.26542","0.00006","40.767","0.0004","90","","90","","90","","1510.16","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0254","0.0248","","","0.0626","0.063","","","","","","1.042","","","","has coordinates","248467","2020-10-21","18:00:00",""
"4037964","10.8256","0.0014","12.8053","0.0016","19.32","0.003","90","","90","","90","","2678.2","0.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 O5 P W -","- C25 H31 O5 P W -","- C100 H124 O20 P4 W4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0422","0.031","","","0.0581","0.0609","","","","","","1.01","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037965","12.2859","0.0005","14.0636","0.0006","17.5304","0.0007","90","","101.191","0.001","90","","2971.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O5 P W -","- C31 H37 O5 P W -","- C124 H148 O20 P4 W4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0395","0.0279","","","0.061","0.0647","","","","","","1.036","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037966","10.2896","0.0008","19.8717","0.0015","12.6613","0.0009","90","","94.523","0.002","90","","2580.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl P -","- C28 H36 Cl P -","- C112 H144 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0741","0.0546","","","0.146","0.1577","","","","","","1.029","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037967","11.417","0.0004","18.186","0.0006","12.9321","0.0004","90","","107.046","0.002","90","","2567.13","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 O P -","- C29 H39 O P -","- C116 H156 O4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0686","0.0481","","","0.1152","0.1259","","","","","","1.044","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037968","11.0637","0.0008","11.4975","0.0008","12.0726","0.0009","85.785","0.002","66.306","0.002","69.68","0.003","1314.82","0.17","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H39 P -","- C29 H39 P -","- C58 H78 P2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.082","0.056","","","0.1567","0.1701","","","","","","1.06","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037969","10.921","0.002","11.391","0.002","13.516","0.003","68.762","0.007","77.919","0.007","67.038","0.007","1438.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H45 P -","- C35 H45 P -","- C70 H90 P2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0804","0.0541","","","0.1162","0.1284","","","","","","1.028","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037970","40.065","0.002","9.2931","0.0004","21.2408","0.0008","90","","100.23","0.001","90","","7782.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H51 Cl3 Ir P -","- C38 H51 Cl3 Ir P -","- C304 H408 Cl24 Ir8 P8 -","8","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0595","0.0423","","","0.0978","0.1018","","","","","","1.043","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037971","20.082","0.003","9.348","0.002","21.825","0.003","90","","106.02","0.007","90","","3938","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl2 F Ir P -","- C42 H56 Cl2 F Ir P -","- C168 H224 Cl8 F4 Ir4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0935","0.0458","","","0.0709","0.0811","","","","","","1.013","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037972","12.2693","0.0006","14.6797","0.0007","18.2478","0.0009","90","","94.529","0.002","90","","3276.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Cl2 O3 P Ru -","- C32 H51 Cl2 O3 P Ru -","- C128 H204 Cl8 O12 P4 Ru4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0369","0.0283","","","0.0661","0.0691","","","","","","1.025","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037973","9.9339","0.0004","12.1511","0.0005","23.8401","0.001","90","","98.4975","0.0013","90","","2846.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Au Cl P -","- C29 H39 Au Cl P -","- C116 H156 Au4 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0559","0.0229","","","0.0465","0.0492","","","","","","0.998","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037974","10.7538","0.0005","12.6165","0.0006","14.2361","0.0007","64.557","0.002","71.226","0.002","85.048","0.002","1648.31","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H39 Cl2 Cu F3 O3 P S -","- C30 H39 Cl2 Cu F3 O3 P S -","- C60 H78 Cl4 Cu2 F6 O6 P2 S2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0893","0.0448","","","0.087","0.0985","","","","","","1.028","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037975","13.8708","0.0008","15.6985","0.0009","21.0466","0.0012","99.032","0.002","101.061","0.002","114.982","0.002","3928.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H92 Cu2 F13 O6 P2 S2 -","- C81 H92 Cu2 F13 O6 P2 S2 -","- C162 H184 Cu4 F26 O12 P4 S4 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0624","0.053","","","0.1535","0.1597","","","","","","1.038","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037976","10.021","0.0005","18.3007","0.0008","24.1448","0.0011","88.021","0.002","86.219","0.002","76.184","0.002","4289.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 Cr O5 P -","- C28 H37.6667 Cr O5 P -","- C168 H226 Cr6 O30 P6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0858","0.0551","","","0.1429","0.1572","","","","","","1.116","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037977","10.1218","0.0005","18.1986","0.0009","24.5216","0.0012","88.051","0.002","86.135","0.002","75.778","0.002","4367.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 Mo O5 P -","- C28 H37.6667 Mo O5 P -","- C168 H226 Mo6 O30 P6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.1092","0.0566","","","0.1","0.1137","","","","","","1.018","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037978","10.1196","0.0007","18.2382","0.0014","24.5842","0.0018","88.238","0.003","86.321","0.002","75.864","0.002","4390.3","0.6","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 O5 P W -","- C28 H37.6667 O5 P W -","- C168 H226 O30 P6 W6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0656","0.0379","","","0.0645","0.0711","","","","","","1.016","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037979","12.2004","0.0005","10.6944","0.0004","17.4086","0.0007","90","","107.563","0.001","90","","2165.52","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Au Cl P -","- C21 H33 Au Cl P -","- C84 H132 Au4 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0402","0.0286","","","0.0559","0.0587","","","","","","1.047","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037980","16.1468","0.0008","16.1269","0.0008","16.4389","0.0008","90","","100.437","0.002","90","","4209.8","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H32 Cl O P -","- C21 H32 Cl O P -","- C168 H256 Cl8 O8 P8 -","8","2","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.047","0.0422","","","0.1041","0.1066","","","","","","1.038","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037981","12.209","0.0017","6.6997","0.001","29.003","0.004","90","","90","","90","","2372.3","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0812","0.0767","","","0.2476","0.2514","","","","","","1.093","","","","has coordinates","248503","2020-10-21","18:00:00",""
"4037982","13.891","0.009","10.032","0.007","15.905","0.011","90","","101.772","0.01","90","","2170","3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0931","0.0615","","","0.1886","0.2068","","","","","","1.14","","","","has coordinates","248504","2020-10-21","18:00:00",""
"4037983","8.4148","0.0006","10.2824","0.0008","14.178","0.0011","90","","95.0523","0.0011","90","","1221.98","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0391","0.0381","","","0.0976","0.0982","","","","","","1.07","","","","has coordinates","248505","2020-10-21","18:00:00",""
"4037984","9.2","","17.273","","23.09","","90","","90","","90","","3669.27","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Zheng, Guangfan; Duan, Xujing; Chen, Lu; Sun, Jiaqiong; Zhai, Shuailei; Li, Xiaojiao; Jing, Jierui; Li, Xingwei","Access to [4,3,1]-Bridged Carbocycles via Rhodium(III)-Catalyzed C-H Activation of 2-Arylindols and Annulation with Quinone Monoacetals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00018","","","0.71073","MoKα","","0.0517","0.0512","","","0.1594","0.1601","","","","","","0.656","","","","has coordinates","248506","2020-10-21","18:00:00",""
"4037985","9.6805","0.0018","23.196","0.004","10.671","0.002","90","","101.345","0.004","90","","2349.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C104 H104 N8 O8 S8 -","8","2","","Huang, Fei; Wu, Ping; Yu, Zhengkun","Copper(II)-Mediated Intramolecular Cyclopropanation of Ketene N,X-Acetals (X = S, O, N) under Mild Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00093","","","0.71073","MoKα","","0.0599","0.0461","","","0.1151","0.124","","","","","","1.027","","","","has coordinates","248507","2020-10-21","18:00:00",""
"4037986","8.4335","0.001","17.4528","0.0018","17.6982","0.0013","90","","90","","90","","2605","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C120 H128 N16 O8 -","8","2","","Huang, Fei; Wu, Ping; Yu, Zhengkun","Copper(II)-Mediated Intramolecular Cyclopropanation of Ketene N,X-Acetals (X = S, O, N) under Mild Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00093","","","0.71073","MoKα","","0.0675","0.0468","","","0.0976","0.1095","","","","","","1.059","","","","has coordinates,has disorder","248507","2020-10-21","18:00:00",""
"4037987","6.0269","0.0005","7.438","0.0006","42.688","0.004","90","","90.915","0.004","90","","1913.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Br2 N2 -","- C23 H20 Br2 N2 -","- C92 H80 Br8 N8 -","4","1","","Alajarin, Mateo; Ballester, Francisco-Jose; Vivancos, Juan-Antonio; Orenes, Raul-Angel; Vidal, Ángel; Sanchez-Andrada, Pilar; Marin-Luna, Marta","Lewis Acid-mediated Formation of 1,3-Disubstituted Spiro[cyclopropane-1,2'-indanes]: The Activating Effect of the Cyclopropane Walsh Orbital.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00090","","","0.71073","MoKα","","0.1464","0.1358","","","0.3388","0.3436","","","","","","1.311","","","","has coordinates","248508","2020-10-21","18:00:00",""
"4037988","22.887","0.0008","5.21437","0.00015","29.1121","0.0008","90","","98.91","0.003","90","","3432.35","0.18","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0997","0.0592","","","0.1591","0.1916","","","","","","1.07","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037989","14.7401","0.0006","7.7423","0.0003","17.8057","0.0007","90","","101.233","0.0016","90","","1993.1","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0858","0.07","","","0.2002","0.214","","","","","","1.062","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037990","9.7166","0.0005","22.6956","0.0008","9.8622","0.0005","90","","117.361","0.006","90","","1931.55","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 S2 -","- C19 H17 N O5 S2 -","- C76 H68 N4 O20 S8 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0664","0.0488","","","0.1251","0.1362","","","","","","1.07","","","","has coordinates,has disorder","248550","2020-10-21","18:00:00",""
"4037991","11.4566","0.00018","13.1897","0.0002","14.5799","0.0002","91.9477","0.0014","105.499","0.0014","97.6309","0.0014","2098.67","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br N O5 S -","- C21 H18 Br N O5 S -","- C84 H72 Br4 N4 O20 S4 -","4","2","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0846","0.0507","","","0.0997","0.1143","","","","","","1.03","","","","has coordinates,has disorder","248550","2020-10-21","18:00:00",""
"4037992","10.445","0.002","13.422","0.003","11.971","0.003","90","","90.181","0.008","90","","1678.2","0.6","301","2","301","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.1118","0.1072","","","0.3414","0.3498","","","","","","1.78","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037993","11.2221","0.0004","10.3384","0.0004","16.5378","0.0006","90","","90.805","0.003","90","","1918.5","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0807","0.0498","","","0.1356","0.1532","","","","","","1.118","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037994","25.6923","0.0019","15.3296","0.0009","5.3503","0.0005","90","","90","","90","","2107.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.1357","0.0665","","","0.1378","0.1684","","","","","","0.983","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037995","15.3107","0.0007","7.6551","0.0003","33.1427","0.0013","90","","90","","90","","3884.5","0.3","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0499","0.0441","","","0.1133","0.1167","","","","","","1.098","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037996","9.2857","0.0002","9.7065","0.0003","16.1028","0.0004","72.507","0.002","76.823","0.002","87.285","0.002","1347.45","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 I N2 O2 -","- C11 H15 I N2 O2 -","- C44 H60 I4 N8 O8 -","4","2","","Dwadnia, Nejib; Lingua, Hugo; Mouysset, Dominique; Mimoun, Liliane; Siri, Didier; Bertrand, Michèle P; Feray, Laurence","Intermolecular addition of carbon-centered radicals to ynamides - A regio- and stereoselective route to persubstituted α-iodo-enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03255","","x-ray","0.71073","MoKα","","0.0675","0.0481","","","0.1143","0.1259","","","","","","1.047","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037997","9.5993","0.0011","10.1443","0.0011","22.025","0.004","90","","90","","90","","2144.8","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 I N O4 S -","- C23 H22 I N O4 S -","- C92 H88 I4 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.0555","0.0488","","","0.0853","0.0887","","","","","","1.082","","","","has coordinates","248670","2020-10-21","18:00:00",""
"4037998","9.4393","0.0012","10.9809","0.0017","12.203","0.0012","64.618","0.012","82.621","0.009","67.246","0.013","1052.8","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C48 H50 N2 O8 S2 -","2","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.0573","0.0441","","","0.0961","0.1046","","","","","","1.041","","","","has coordinates","248671","2020-10-21","18:00:00",""
"4037999","14.5776","0.0019","11.6775","0.001","15.46","0.002","90","","114.996","0.016","90","","2385.3","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N O4 S -","- C27 H29 N O4 S -","- C108 H116 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.1268","0.0804","","","0.1953","0.2267","","","","","","1.042","","","","has coordinates","248672","2020-10-21","18:00:00",""
"4038000","12.7601","0.0015","10.8088","0.0013","17.5412","0.0018","90","","90.12","0.004","90","","2419.3","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O4 S -","- C29 H27 N O4 S -","- C116 H108 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","","0.71073","MoKα","","0.0924","0.0509","","","0.1041","0.1251","","","","","","1.044","","","","has coordinates","248674","2020-10-21","18:00:00",""
"4038001","10.7361","0.0003","9.4099","0.0003","12.0507","0.0004","90","","114.088","0.004","90","","1111.42","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C50 H42 Br2 N4 O6 -","2","1","","Guo, Ya-Jun; Guo, Xin; Kong, De-Zhi; Lu, Huijie; Liu, Lantao; Hua, Yuan-Zhao; Wang, Min-Can","Catalytic Asymmetric Synthesis of Tetrahydrofuran Spirooxindoles via Dinuclear Zinc Catalyst.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03378","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.123","0.1326","","","","","","1.051","","","","has coordinates","248675","2020-10-21","18:00:00",""
"4038002","7.1359","0.0011","29.591","0.005","31.636","0.005","90","","90","","90","","6680.2","1.9","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H33 N -","- C47 H33 N -","- C376 H264 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0719","0.0657","","","0.155","0.1559","","","","","","1.011","","","","has coordinates","248676","2020-10-21","18:00:00",""
"4038003","14.6049","0.0008","15.0018","0.0008","19.0646","0.0011","90","","94.308","0.003","90","","4165.2","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","- C208 H152 B4 F16 N8 Pd2 -","2","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.067","0.0457","","","0.1134","0.1273","","","","","","1.047","","","","has coordinates","248677","2020-10-21","18:00:00",""
"4038004","15.0812","0.0002","34.7282","0.0006","7.2597","0.0001","90","","90","","90","","3802.22","0.1","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0508","0.0499","","","0.1169","0.1171","","","","","","1.041","","","","has coordinates,has disorder","248678","2020-10-21","18:00:00",""
"4038005","15.5055","0.0002","34.3595","0.0004","7.165","0.0001","90","","90","","90","","3817.23","0.09","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0402","0.0335","","","0.0897","0.0935","","","","","","1.054","","","","has coordinates","248679","2020-10-21","18:00:00",""
"4038006","9.1474","0.0011","21.215","0.002","26.637","0.003","106.603","0.004","96.033","0.004","100.512","0.004","4802.3","0.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C116 H104 B2 F8 N4 Pd -","- C116 H104 B2 F8 N4 Pd -","- C232 H208 B4 F16 N8 Pd2 -","2","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0952","0.0676","","","0.1343","0.1371","","","","","","0.91","","","","has coordinates,has disorder","248680","2020-10-21","18:00:00",""
"4038007","8.6005","0.0001","17.6009","0.0003","12.3829","0.0002","90","","102.32","0.001","90","","1831.31","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.047","0.0458","","","0.1092","0.1104","","","","","","1.087","","","","has coordinates","248681","2020-10-21","18:00:00",""
"4038008","9.039","0.003","15.343","0.006","22.08","0.008","72.242","0.007","81.57","0.01","81.354","0.011","2866.6","1.8","151","","150.95","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0808","0.0572","","","0.1023","0.1043","","","","","","0.905","","","","has coordinates","248682","2020-10-21","18:00:00",""
"4038009","13.0587","0.0006","15.6881","0.0008","21.3941","0.0009","108.741","0.002","106.946","0.002","99.339","0.002","3808.6","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C188 H132 B2 F8 N4 Pd -","- C188 H132 B2 F8 N4 Pd -","- C188 H132 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0668","0.0659","","","0.1584","0.1588","","","","","","0.988","","","","has coordinates","248683","2020-10-21","18:00:00",""
"4038010","8.8451","0.0003","14.3073","0.0005","19.328","0.0006","89.035","0.002","83.191","0.002","87.639","0.002","2426.46","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C122 H100 B2 F8 N4 Pd -","- C122 H100 B2 F8 N4 Pd -","- C122 H100 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.043","0.0374","","","0.0945","0.0979","","","","","","1.058","","","","has coordinates","248684","2020-10-21","18:00:00",""
"4038011","10.0957","0.0006","16.5247","0.0007","16.6164","0.0007","73.814","0.004","74.718","0.004","89.583","0.004","2561.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(isobutyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C51 H68 Cl3 N O8 -","- C51 H68 Cl3 N O8 -","- C102 H136 Cl6 N2 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0568","0.0515","","","0.1416","0.148","","","","","","1.066","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038012","15.8596","0.0007","18.1191","0.0008","20.983","0.0009","101.411","0.004","95.612","0.004","107.98","0.004","5539.7","0.5","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2,4,6,8-Tetra(n-heptyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C60.5 H90 O8.5 -","- C60.5 H90 O8.5 -","- C242 H360 O34 -","4","2","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.1169","0.0795","","","0.2143","0.2547","","","","","","1.028","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038013","11.605","0.0002","17.8076","0.0005","20.157","0.0005","83.974","0.002","77.65","0.002","75.603","0.002","3935.5","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(n-undecyl)-1^5^,5^5^-dibromo-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C78 H121 Br2 Cl5 O8 -","- C78 H121 Br2 Cl5 O8 -","- C156 H242 Br4 Cl10 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0781","0.0731","","","0.2174","0.2264","","","","","","1.046","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038014","12.5156","0.0004","18.1763","0.0005","13.11","0.0003","90","","94.555","0.003","90","","2972.94","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2,4,6,8-Tetra(cyclohexyl)-5^4^,5^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,3^4^,3^6^-tetrol","","- C56 H72 O8 -","- C56 H72 O8 -","- C112 H144 O16 -","2","0.5","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0671","0.0587","","","0.17","0.1784","","","","","","1.038","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038015","8.7462","0.0003","11.3434","0.0005","14.7196","0.0005","74.989","0.003","74.857","0.003","69.55","0.004","1297.9","0.09","296.4","0.6","296.4","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl2 N O4 -","- C28 H25 Cl2 N O4 -","- C56 H50 Cl4 N2 O8 -","2","1","","Paria, Suva; Carletti, Edoardo; Marcon, Michela; Cherubini-Celli, Alessio; Mazzanti, Andrea; Rancan, Marzio; Dell'Amico, Luca; Bonchio, Marcella; Companyó, Xavier","Light-triggered Catalytic Asymmetric Allylic Benzylation with Photogenerated C-Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00175","","x-ray","0.71073","MoKα","","0.1113","0.0747","","","0.1993","0.2285","","","","","","1.039","","","","has coordinates,has disorder","248686","2020-10-21","18:00:00",""
"4038016","13.265","0.004","14.877","0.004","17.814","0.004","90","","107.651","0.008","90","","3350","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 F5 N3 O2 -","- C34 H43 F5 N3 O2 -","- C136 H172 F20 N12 O8 -","4","1","","Khan, Mehebub Ali; Ghosh, Soumen; Bera, Sachinath; Hoque, Anamika; Sk, Ismail; Ansari, Shagufi Naz; Mobin, Shaikh M.; Alam, Md Akhtarul","A Crystallographic Elucidation of Stimuli Controlled Molecular Rotation for Reversible Sol-Gel Transformation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02944","","","0.71073","MoKα","","0.1006","0.0916","","","0.309","0.3267","","","","","","1.208","","","","has coordinates","248687","2020-10-21","18:00:00",""
"4038017","6.9689","0.0004","24.8459","0.0012","12.2965","0.0006","90","","102.347","0.005","90","","2079.88","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F5 N3 O3 -","- C21 H16 F5 N3 O3 -","- C84 H64 F20 N12 O12 -","4","1","","Khan, Mehebub Ali; Ghosh, Soumen; Bera, Sachinath; Hoque, Anamika; Sk, Ismail; Ansari, Shagufi Naz; Mobin, Shaikh M.; Alam, Md Akhtarul","A Crystallographic Elucidation of Stimuli Controlled Molecular Rotation for Reversible Sol-Gel Transformation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02944","","","0.71073","MoKα","","0.0835","0.064","","","0.1778","0.195","","","","","","1.111","","","","has coordinates","248688","2020-10-21","18:00:00",""
"4038018","12.2331","0.0003","8.2123","0.0002","14.7327","0.0003","90","","105.743","0.001","90","","1424.55","0.06","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0691","0.0466","","","0.123","0.1417","","","","","","1.041","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038019","13.1743","0.001","8.2226","0.0006","13.5","0.001","90","","111.313","0.003","90","","1362.4","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0581","0.0406","","","0.1004","0.1115","","","","","","1.016","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038020","13.194","0.003","8.3516","0.0017","13.506","0.003","90","","110.722","0.013","90","","1392","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.1033","0.052","","","0.1333","0.1647","","","","","","1.014","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038021","4.623","0.005","22.358","0.005","13.545","0.005","90","0.005","96.486","0.005","90","0.005","1391.1","1.6","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.1083","0.0532","","","0.1479","0.1866","","","","","","1.026","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038022","17.0774","0.0015","3.9635","0.0004","59.803","0.006","90","","90.802","0.007","90","","4047.4","0.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C252 H156 N12 -","12","3","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.2123","0.0833","","","0.204","0.2702","","","","","","1.37","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038023","9.3677","0.0002","8.1391","0.0002","11.6155","0.0003","90","","99.766","0.001","90","","872.79","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0553","0.0463","","","0.1304","0.1405","","","","","","1.107","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038024","11.0286","0.0006","5.467","0.0003","13.9855","0.0008","90","","91.742","0.003","90","","842.84","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0928","0.0773","","","0.2027","0.2241","","","","","","1.049","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038025","10.979","0.003","5.4664","0.001","13.966","0.002","90","","91.652","0.008","90","","837.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0628","0.0404","","","0.1031","0.1164","","","","","","1.037","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038026","3.7918","0.0012","9.006","0.003","24.601","0.011","90","","90.484","0.019","90","","840.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0679","0.0425","","","0.0793","0.086","","","","","","0.867","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038027","5.589","0.005","20.882","0.005","7.697","0.005","90","0.005","103.696","0.005","90","0.005","872.8","1","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.0552","0.0427","","","0.1191","0.1309","","","","","","1.032","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038028","12.53","0.003","10.289","0.002","13.803","0.003","90","","104.918","0.014","90","","1719.5","0.7","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N -","- C13 H8 N -","- C104 H64 N8 -","8","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.1348","0.1154","","","0.3096","0.3471","","","","","","1.496","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038029","12.2463","0.0003","30.2305","0.0009","9.5734","0.0002","90","","95.933","0.002","90","","3525.2","0.16","172.99","0.1","172.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0649","0.0415","","","0.0987","0.1166","","","","","","0.988","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038030","12.305","0.0004","30.386","0.0013","9.6833","0.0003","90","","96.608","0.003","90","","3596.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0876","0.0511","","","0.1249","0.1539","","","","","","1.004","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038031","9.6837","0.001","12.097","0.0012","12.2653","0.0012","89.133","0.006","66.936","0.005","75.404","0.005","1273.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C68 H64 N4 -","2","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0931","0.069","","","0.193","0.2196","","","","","","1.025","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038032","6.869","0.0003","18.7339","0.0008","19.4363","0.0009","69.1744","0.0014","87.7497","0.0015","81.4656","0.0015","2311.59","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C16.9987 H20.9977 N O3.99987 -","- C101.992 H125.986 N6 O23.9992 -","6","3","","Saito, Fumito; Becker, Jonathan; Schreiner, Peter R.","Synthesis and Conformational Analysis of Parent Perhydroazulenes Reveals an Energetically Preferred cis Ring Fusion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00167","","","0.71073","MoKα","","0.0776","0.0486","","","0.1075","0.1218","","","","","","1.02","","","","has coordinates,has disorder","248987","2020-10-21","18:00:00",""
"4038033","5.9709","0.0003","10.3213","0.0005","11.0614","0.0006","112.027","0.0017","103.994","0.0019","99.262","0.002","588.69","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 S2 -","- C12 H20 S2 -","- C24 H40 S4 -","2","1","","Saito, Fumito; Becker, Jonathan; Schreiner, Peter R.","Synthesis and Conformational Analysis of Parent Perhydroazulenes Reveals an Energetically Preferred cis Ring Fusion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00167","","","0.71073","MoKα","","0.0437","0.0333","","","0.0777","0.0815","","","","","","1.047","","","","has coordinates","248988","2020-10-21","18:00:00",""
"4038034","5.712","0.0012","11.113","0.002","11.571","0.002","104.605","0.003","100.4","0.003","103.087","0.003","669.9","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Feng, Yangyang; Yang, Chenglin; Deng, Qingfu; Xiong, Ruimei; Zhang, Xiaohui; Xiong, Yan","Synthesis of anti Tricyclic Morpholine Derivatives through Iodine(III)-Mediated Intramolecular Umpolung Cycloaddition of Olefins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00286","","","0.71073","MoKα","","0.0714","0.0559","","","0.1483","0.1614","","","","","","1.053","","","","has coordinates","249091","2020-10-21","18:00:00",""
"4038035","5.312","0.002","11.535","0.005","13.242","0.006","90","","90","","90","","811.4","0.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Hocine, Sofiane; Berger, Gilles; Hanessian, Stephen","Design and Synthesis of Backbone-Fused, Conformationally Constrained Morpholine-Proline Chimeras.","The Journal of organic chemistry","2020","85","6","4237","4247","10.1021/acs.joc.9b03413","","x-ray","1.54178","CuKα","","0.1054","0.0649","","","0.1316","0.1579","","","","","","0.911","","","","has coordinates","250094","2020-10-21","18:00:00",""
"4038036","5.1388","0.0003","19.7529","0.0012","11.7294","0.0008","90","","100.519","0.002","90","","1170.6","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Yin, Jinya; Landward, Michael B.; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Amidonaphthoquinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03417","","","0.71073","MoKα","","0.0594","0.0415","","","0.1037","0.113","","","","","","1.031","","","","has coordinates","249093","2020-10-21","18:00:00",""
"4038037","10.6981","0.0013","5.3875","0.0006","22.901","0.003","90","","100.847","0.003","90","","1296.3","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Yin, Jinya; Landward, Michael B.; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Amidonaphthoquinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03417","","","0.71073","MoKα","","0.0536","0.0416","","","0.1122","0.121","","","","","","1.031","","","","has coordinates","249094","2020-10-21","18:00:00",""
"4038038","4.8245","0.0005","13.1695","0.0012","26.813","0.003","90","","90.043","0.01","90","","1703.6","0.3","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Igawa, Kazunobu; Kawasaki, Yuuya; Nozaki, Sora; Kokan, Naoto; Tomooka, Katsuhiko","Ozone Oxidation of Silylalkene: Mechanistic Study and Application for the Synthesis of Silacarboxylic Acid Derivatives.","The Journal of organic chemistry","2020","85","6","4165","4171","10.1021/acs.joc.9b03350","","x-ray","0.71073","MoKα","","0.1219","0.0715","","","0.17","0.193","","","","","","1.032","","","","has coordinates,has disorder","250089","2020-10-21","18:00:00",""
"4038039","14.7524","0.0005","5.3118","0.0001","12.5363","0.0003","90","","101.064","0.003","90","","964.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Br N4 O -","- C9 H5 Br N4 O -","- C36 H20 Br4 N16 O4 -","4","1","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0586","0.0576","","","0.1528","0.1559","","","","","","1.073","","","","has coordinates","249155","2020-10-21","18:00:00",""
"4038040","8.3641","0.0003","20.06","0.0007","24.723","0.0007","90","","93.043","0.003","90","","4142.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N2 O3.5 S0.5 -","- C25 H21 N2 O3.5 S0.5 -","- C200 H168 N16 O28 S4 -","8","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0728","0.0592","","","0.1672","0.1872","","","","","","1.052","","","","has coordinates","249156","2020-10-21","18:00:00",""
"4038041","7.4324","0.0003","14.3291","0.0005","15.9268","0.0007","108.01","0.004","94.612","0.003","103.904","0.003","1543.68","0.12","100","3","100","3","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F3 N2 O4 S -","- C15 H11 F3 N2 O4 S -","- C60 H44 F12 N8 O16 S4 -","4","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0552","0.0478","","","0.1318","0.1385","","","","","","1.029","","","","has coordinates","249157","2020-10-21","18:00:00",""
"4038042","7.6228","0.0001","13.7609","0.0001","13.7806","0.0001","85.032","0.001","82.433","0.001","80.693","0.001","1410.93","0.02","100","3","100","3","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Br N4 O2 -","- C14 H11 Br N4 O2 -","- C56 H44 Br4 N16 O8 -","4","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0347","0.0344","","","0.0893","0.0896","","","","","","1.052","","","","has coordinates","249158","2020-10-21","18:00:00",""
"4038043","11.1583","0.0016","25.873","0.003","20.17","0.002","90","","105.729","0.013","90","","5605","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Br N O7 Si -","- C25 H33 Br N O7 Si -","- C200 H264 Br8 N8 O56 Si8 -","8","2","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","1.54184","CuKα","","0.2187","0.1066","","","0.3096","0.4058","","","","","","1.075","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038044","24.66","0.002","32.376","0.003","14.076","0.0013","90","","90","","90","","11238.2","1.7","298","2","298.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C100 H142 Br4 Cl2 N4 O28 Si4 -","- C101 H142 Br4 Cl2 N4 O28 Si4 -","- C404 H568 Br16 Cl8 N16 O112 Si16 -","4","0.5","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","0.71073","MoKα","","0.1942","0.0565","","","0.1287","0.1563","","","","","","0.764","","","","has coordinates","249182","2020-10-21","18:00:00",""
"4038045","9.087","0.0008","11.7793","0.0011","9.6187","0.0009","90","","111.942","0.004","90","","954.99","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N O6 -","- C20 H24 N O6 -","- C40 H48 N2 O12 -","2","1","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","1.54178","CuKα","","0.1794","0.1157","","","0.2918","0.3854","","","","","","0.992","","","","has coordinates","249183","2020-10-21","18:00:00",""
"4038046","10.122","0.013","5.827","0.005","8.812","0.011","90","","106.72","0.06","90","","497.8","1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H2 F2 N4 -","- C12 H2 F2 N4 -","- C24 H4 F4 N8 -","2","0.25","","Liu, En-Chih; Topczewski, Joseph J.","Gram-Scale Synthesis of 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F<sub>2</sub>-TCNQ).","The Journal of organic chemistry","2020","85","6","4560","4564","10.1021/acs.joc.0c00053","","","0.71073","MoKα","","0.0414","0.0339","","","0.0956","0.101","","","","","","1.102","","","","has coordinates","250095","2020-10-21","18:00:00",""
"4038047","5.8237","0.0003","8.8525","0.0004","19.1618","0.001","90","","92.943","0.003","90","","986.57","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 F N O2 S -","- C9 H12 F N O2 S -","- C36 H48 F4 N4 O8 S4 -","4","1","","Emenike, Bright U.; Dhami, Simran S.","Determining the Ionization Constants of Organic Acids Using Fluorine Gauche Effects.","The Journal of organic chemistry","2020","85","7","4896","4900","10.1021/acs.joc.0c00062","","","0.71073","MoKα","","0.0292","0.0283","","","0.0808","0.0817","","","","","","1.049","","","","has coordinates","250110","2020-10-21","18:00:00",""
"4038048","12.2123","0.0005","24.8626","0.001","4.7975","0.0002","90","","90","","90","","1456.66","0.1","100","2","100.03","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0563","0.043","","","0.0959","0.1021","","","","","","1.056","","","","has coordinates","249211","2020-10-21","18:00:00",""
"4038049","4.8637","0.0001","11.1251","0.0003","15.4131","0.0004","90","","90","","90","","833.99","0.04","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0286","0.0274","","","0.0634","0.0641","","","","","","1.079","","","","has coordinates","249212","2020-10-21","18:00:00",""
"4038050","6.2002","0.0002","8.7727","0.0003","19.3378","0.0007","101.692","0.001","93.848","0.001","90.292","0.001","1027.5","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Na2 O10 -","- C18 H26 Na2 O10 -","- C36 H52 Na4 O20 -","2","1","","Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo","Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03320","","","1.54178","CuKα","","0.0297","0.0288","","","0.0747","0.0753","","","","","","1.058","","","","has coordinates","249241","2020-10-21","18:00:00",""
"4038051","6.2535","0.0002","38.0761","0.0013","9.2033","0.0003","90","","109.594","0.001","90","","2064.49","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N Na2 O8 -","- C20 H23 N Na2 O8 -","- C80 H92 N4 Na8 O32 -","4","1","","Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo","Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03320","","","1.54178","CuKα","","0.0325","0.0317","","","0.0799","0.0806","","","","","","1.089","","","","has coordinates","249241","2020-10-21","18:00:00",""
"4038052","9.2518","0.0009","13.2729","0.0013","20.695","0.002","90","","90.325","0.002","90","","2541.3","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N3 -","- C20 H15 Cl N3 -","- C120 H90 Cl6 N18 -","6","3","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Synthesis of 4-Azaindolines Using Phase-Transfer Catalysis via an Intramolecular Mannich Reaction.","The Journal of organic chemistry","2020","85","6","4047","4057","10.1021/acs.joc.9b03025","","","0.71073","MoKα","","0.0966","0.0591","","","0.1325","0.1538","","","","","","1.019","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4038053","7.532","0.007","9.197","0.009","22.1","0.02","90","","90","","90","","1531","2","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F3 N2 O2 S -","- C17 H13 F3 N2 O2 S -","- C68 H52 F12 N8 O8 S4 -","4","1","","Wang, Wei; Xiong, Wenhui; Wang, Jinping; Wang, Qiu-An; Yang, Wen","Brønsted Acid-Catalyzed Asymmetric Friedel-Crafts Alkylation of Indoles with Benzothiazole-Bearing Trifluoromethyl Ketone Hydrates.","The Journal of organic chemistry","2020","85","6","4398","4407","10.1021/acs.joc.0c00116","","","0.71073","MoKα","","0.0535","0.0414","","","0.0873","0.0929","","","","","","1.082","","","","has coordinates","250093","2020-10-21","18:00:00",""
"4038054","12.4242","0.0007","7.1204","0.0004","14.6853","0.0007","90","","94.29","0.007","90","","1295.5","0.12","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Niki, Misaki; Hirata, Yushi; Nakazaki, Atsuo; Wu, Jing; Kawagishi, Hirokazu; Nishikawa, Toshio","Biomimetic Synthesis of Chaxine and its Related Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03482","","","1.54187","CuKα","","0.1041","0.0655","","","0.1583","0.1798","","","","","","1.036","","","","has coordinates","249337","2020-10-21","18:00:00",""
"4038055","16.003","0.003","7.6071","0.0015","11.779","0.002","90","","108.82","0.03","90","","1357.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F0 N2 O0 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Jia, Chunqi; Wu, Nini; Cai, Xiaofeng; Li, Gang; Zhong, Lei; Zou, Lei; Cui, Xiuling","Ruthenium-Catalyzed <i>meta</i>-Selective C<sub>Ar</sub>-H Bond Formylation of Arenes.","The Journal of organic chemistry","2020","85","6","4536","4542","10.1021/acs.joc.0c00007","","","0.71073","MoKα","","0.108","0.081","","","0.2426","0.2565","","","","","","1.087","","","","has coordinates","250091","2020-10-21","18:00:00",""
"4038056","7.789","0.004","10.907","0.006","20.566","0.013","90","","90","","90","","1747.2","1.7","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","oxa[5]helicene 1a","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]furan","","- C26 H15 F O -","- C26 H15 F O -","- C104 H60 F4 O4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","","0.71073","MoKα","","0.0416","0.0372","","","0.1107","0.1164","","","","","","0.95","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038057","12.8863","0.0005","18.6245","0.0007","7.636","0.0003","90","","97.048","0.002","90","","1818.8","0.12","173","2","173.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]thiophene","","- C26 H15 F S -","- C26 H15 F S -","- C104 H60 F4 S4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","x-ray","0.71073","MoKα","","0.0434","0.0376","","","0.1244","0.1323","","","","","","0.985","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038058","8.068","0.0003","8.1779","0.0003","9.016","0.0004","74.336","0.003","74.502","0.004","87.802","0.003","551.58","0.04","140","0.8","140","1","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","1","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0352","0.0329","","","0.0814","0.0823","","","","","","1.126","","","","has coordinates","249371","2020-10-21","18:00:00",""
"4038059","8.22498","0.00012","8.22498","0.00012","36.194","0.0007","90","","90","","90","","2448.53","0.07","140","0.6","140","1","","","","","","","","6","P 41","P 4w","76","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0385","0.0329","","","0.0647","0.0662","","","","","","1.077","","","","has coordinates","249372","2020-10-21","18:00:00",""
"4038060","9.2848","0.0001","10.9249","0.0002","23.5739","0.0004","90","","90","","90","","2391.23","0.07","140","0.5","140","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0267","0.0255","","","0.0638","0.0643","","","","","","1.105","","","","has coordinates","249373","2020-10-21","18:00:00",""
"4038061","16.5513","0.0001","9.6657","0.0001","25.6444","0.0002","90","","90","","90","","4102.59","0.06","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C152 H184 N56 O16 S8 -","8","2","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0378","0.037","","","0.0979","0.0987","","","","","","1.031","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038062","6.2963","0.0002","12.2014","0.0003","12.3922","0.0004","89.249","0.002","79.699","0.003","81.512","0.003","926.32","0.05","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Cl N4 O2 S -","- C18 H21 Cl N4 O2 S -","- C36 H42 Cl2 N8 O4 S2 -","2","1","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0336","0.0326","","","0.0898","0.0905","","","","","","1.059","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038063","17.907","0.003","9.0483","0.0014","25.336","0.005","90","","109.74","0.02","90","","3863.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 F6 N7 O12 -","- C34 H35 F6 N7 O12 -","- C136 H140 F24 N28 O48 -","4","1","","Niedbała, Patryk; Majdecki, Maciej; Dąbrowa, Kajetan; Jurczak, Janusz","Selective Carboxylate Recognition Using Urea-Functionalized Unclosed Cryptands: Mild Synthesis and Complexation Studies.","The Journal of organic chemistry","2020","85","7","5058","5064","10.1021/acs.joc.9b03082","","","1.54184","CuKα","","0.2292","0.1375","","","0.3305","0.4233","","","","","","1.068","","","","has coordinates,has disorder","250113","2020-10-21","18:00:00",""
"4038064","5.7052","0.0002","48.2715","0.0012","7.5578","0.0002","90","","106.145","0.003","90","","1999.32","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Br N5 -","- C22 H22 Br N5 -","- C88 H88 Br4 N20 -","4","1","","Kour, Jaspreet; Venkateswarlu, Vunnam; Verma, Praveen K.; Hussain, Yaseen; Dubey, Gurudutt; Bharatam, Prasad V.; Sahoo, Subash C.; Sawant, Sanghapal D.","Oxone-DMSO Triggered Methylene Insertion and C(sp<sup>2</sup>)-C(sp<sup>3</sup>)-H-C(sp<sup>2</sup>) Bond Formation to Access Functional Bis-Heterocycles.","The Journal of organic chemistry","2020","85","7","4951","4962","10.1021/acs.joc.9b03477","","x-ray","0.71073","MoKα","","0.0696","0.0457","","","0.0878","0.0949","","","","","","1.037","","","","has coordinates,has disorder","250115","2020-10-21","18:00:00",""
"4038065","19.9143","0.0008","19.9143","0.0008","19.9143","0.0008","90","","90","","90","","7897.6","0.5","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C88 H108 B6 O12 -","- C87.999 H107.998 B6 O12 -","- C351.996 H431.99 B24 O48 -","4","0.166667","","Nagase, Mai; Kato, Kenta; Yagi, Akiko; Segawa, Yasutomo; Itami, Kenichiro","Six-fold C‒H borylation of hexa-peri-hexabenzocoronene","Beilstein Journal of Organic Chemistry","2020","16","","391","397","10.3762/bjoc.16.37","","x-ray","0.71073","MoKα","","0.1252","0.0733","","","0.2041","0.2378","","","","","","1.093","","","","has coordinates,has disorder","258194","2020-10-21","18:00:00",""
"4038066","8.26368","0.00003","7.69518","0.00004","12.43341","0.00005","90","","95.7545","0.0004","90","","786.662","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","x-ray","1.54184","CuKα","","0.0265","0.0265","","","0.0705","0.0706","","","","","","1.112","","","","has coordinates","250114","2020-10-21","18:00:00",""
"4038067","31.4966","0.0006","12.8222","0.0003","12.3149","0.0003","90","","109.069","0.001","90","","4700.53","0.18","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 O13 -","- C20 H23 O13 -","- C160 H184 O104 -","8","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","","1.54178","CuKα","","0.0636","0.0604","","","0.1796","0.1857","","","","","","1.044","","","","has coordinates,has disorder","250114","2020-10-21","18:00:00",""
"4038068","12.4645","0.0005","12.9987","0.0005","16.7305","0.0005","83.723","0.003","73.112","0.003","86.634","0.003","2577.23","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O Si -","- C22.4 H22.4 N1.6 O0.8 Si0.8 -","- C112 H112 N8 O4 Si4 -","5","2.5","","Dong, Yafang; Sakai, Masahiko; Fuji, Kazuto; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis of six-membered silacycles by borane-catalyzed double sila-Friedel‒Crafts reaction","Beilstein Journal of Organic Chemistry","2020","16","","409","414","10.3762/bjoc.16.39","","x-ray","0.71073","MoKα","","0.1067","0.087","","","0.2284","0.2555","","","","","","1.058","","","","has coordinates","258190","2020-10-21","18:00:00",""
"4038069","13.2254","0.0003","7.5242","0.0002","30.3701","0.0008","90","","90","","90","","3022.15","0.13","190","2","190","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","1","","Bhujanga Rao, Chitturi; Zhang, Ning; Hu, Jiana; Wang, Yu; Liang, Yongjiu; Zhang, Rui; Yuan, Jingwen; Dong, Dewen","Tf<sub>2</sub>O-Mediated Cyclization of α-Acyl-β-(2-aminopyridinyl)acrylamides: Access to N-Substituted 4<i>H</i>-Pyrido[1,2-<i>a</i>]pyrimidin-4-imines.","The Journal of organic chemistry","2020","85","7","4695","4705","10.1021/acs.joc.9b03495","","","1.54178","CuKα","","0.0403","0.0372","","","0.0965","0.0998","","","","","","1.089","","","","has coordinates","250099","2020-10-21","18:00:00",""
"4038070","15.9019","0.0011","15.189","0.001","9.7547","0.0004","90","","95.855","0.006","90","","2343.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N4 O2 S -","- C27 H25 F N4 O2 S -","- C108 H100 F4 N16 O8 S4 -","4","1","","De, Pinaki Bhusan; Atta, Sayan; Pradhan, Sourav; Banerjee, Sonbidya; Shah, Tariq A.; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed C-7 C-C Coupling of Indolines with Aziridines: Merging C-H Activation and Ring Opening.","The Journal of organic chemistry","2020","85","7","4785","4794","10.1021/acs.joc.0c00010","","","0.71073","MoKα","","0.1295","0.0745","","","0.1685","0.2036","","","","","","0.956","","","","has coordinates","250100","2020-10-21","18:00:00",""
"4038071","7.742","0.0019","6.4525","0.0013","11.1204","0.0018","90","","92.759","0.01","90","","554.9","0.2","566","2","566","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N8 O8 -","- C4 H10 N8 O8 -","- C8 H20 N16 O16 -","2","0.5","","Lease, Nicholas; Kay, Lisa M.; Brown, Geoffrey W.; Chavez, David E.; Robbins, David; Byrd, Edward F. C.; Imler, Gregory H.; Parrish, Damon A.; Manner, Virginia W.","Synthesis of Erythritol Tetranitrate (ETN) Derivatives: Functional Group Tuning of Explosive Sensitivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03344","","","1.54178","CuKα","","0.0397","0.0389","","","0.1017","0.1024","","","","","","1.087","","","","has coordinates","249510","2020-10-21","18:00:00",""
"4038072","9.6553","0.0002","11.4","0.0003","11.05","0.0003","90","","109.035","0.001","90","","1149.77","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C52 H72 N8 O4 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0685","0.0503","","","0.1331","0.1491","","","","","","1.012","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038073","30.3546","0.0018","5.078","0.0003","20.1975","0.0012","90","","113.604","0.001","90","","2852.8","0.3","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0384","0.0362","","","0.093","0.0949","","","","","","1.043","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038074","12.9004","0.0002","7.7842","0.0001","13.685","0.0003","90","","104.82","0.001","90","","1328.52","0.04","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.058","0.048","","","0.1295","0.1367","","","","","","1.04","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038075","9.1272","0.0002","9.8101","0.0002","19.409","0.0005","81.582","0.001","82.675","0.001","85.338","0.001","1701.63","0.07","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","2","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0562","0.0473","","","0.1343","0.1431","","","","","","1.003","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038076","5.4537","0.0001","10.2807","0.0003","14.458","0.0004","71.75","0.001","81.119","0.001","85.2","0.001","760.08","0.03","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0528","0.0396","","","0.1026","0.1097","","","","","","1.066","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038077","5.7211","0.0004","8.2943","0.0006","11.0522","0.0007","92.866","0.004","91.401","0.004","99.979","0.004","515.58","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","1","0.5","","Das, Tamal Kanti; Madica, Krishnaprasad; Krishnan, Jagadeesh; Marelli, Udaya Kiran; Biju, Akkattu T.","N-Heterocyclic Carbene Catalysis Exploiting Oxidative Imine Umpolung for the Generation of Imidoyl Azoliums.","The Journal of organic chemistry","2020","85","7","5114","5121","10.1021/acs.joc.0c00360","","","0.71073","MoKα","","0.0706","0.041","","","0.1031","0.1193","","","","","","1.03","","","","has coordinates","250104","2020-10-21","18:00:00",""
"4038078","11.4534","0.0006","27.6502","0.0015","9.7523","0.0005","90","","90","","90","","3088.4","0.3","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C176 H120 N24 -","8","1","","Yee, Nathan; Dadvand, Afshin; Perepichka, Dmitrii F.","Serendipitous Formation of Semiconducting Semi-Nindigo Indigoid by the Degradation of Diindolopyrrole.","The Journal of organic chemistry","2020","85","7","5073","5077","10.1021/acs.joc.0c00054","","x-ray","1.34139","GaKα","","0.0663","0.0551","","","0.1256","0.1328","","","","","","1.107","","","","has coordinates","250111","2020-10-21","18:00:00",""
"4038079","12.0036","0.0003","24.1961","0.0006","15.6222","0.0004","90","","107.779","0.003","90","","4320.6","0.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 B2 N O4 -","- C20 H33 B2 N O4 -","- C160 H264 B16 N8 O32 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","1.54184","CuKα","","0.0652","0.0607","","","0.162","0.1688","","","","","","1.058","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038080","15.7533","0.0006","20.3581","0.0009","28.1812","0.0012","90","","90","","90","","9037.9","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Al N5 -","- C42 H55 Al N5 -","- C336 H440 Al8 N40 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","0.71073","MoKα","","0.1481","0.0917","","","0.2864","0.345","","","","","","1.055","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038081","10.0988","0.0002","9.9019","0.0002","13.2271","0.0003","90","","97.768","0.001","90","","1310.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","0.71073","MoKα","","0.0372","0.0318","","","0.0758","0.0794","","","","","","1.052","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038082","8.3713","0.001","12.9078","0.0015","13.4996","0.0015","73.9","0.004","73.965","0.004","79.977","0.004","1339.4","0.3","274","2","274","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br N2 O5 S -","- C28 H29 Br N2 O5 S -","- C56 H58 Br2 N4 O10 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","1.54178","cukα","","0.0486","0.0472","","","0.1154","0.1178","","","","","","1.061","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038083","12.1056","0.0003","18.4895","0.0005","27.4703","0.0007","90","","96.269","0.002","90","","6111.8","0.3","220","0.1","220","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C224 H352.8 Cl12 F3.6 N32 O36.4 -","4","1","","Delecluse, Magalie; Colomban, Cédric; Chatelet, Bastien; Chevallier-Michaud, Sabine; Moraleda, Delphine; Dutasta, Jean-Pierre; Martinez, Alexandre","Highly Selective Fluoride Recognition by a Small Tris-Urea Covalent Cage.","The Journal of organic chemistry","2020","85","7","4706","4711","10.1021/acs.joc.9b03429","","x-ray","1.54184","CuKα","","0.1206","0.0894","","","0.2549","0.287","","","","","","1.021","","","","has coordinates,has disorder","250105","2020-10-21","18:00:00",""
"4038084","7.3636","0.001","27.079","0.004","11.2689","0.0015","90","","95.314","0.002","90","","2237.3","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C92 H144 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0665","0.0428","","","0.0891","0.0989","","","","","","1.02","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038085","10.142","0.003","11.29","0.003","13.629","0.003","83.009","0.003","73.442","0.003","70.541","0.003","1409.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H46 O5 Si -","- C27 H46 O5 Si -","- C54 H92 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0461","0.0407","","","0.1144","0.1197","","","","","","1.01","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038086","13.152","0.002","16.857","0.003","12.706","0.002","90","","107.727","0.003","90","","2683.2","0.8","296","2","296.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H42 O7 -","- C27 H42 O7 -","- C108 H168 O28 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1257","0.0773","","","0.1928","0.231","","","","","","1.026","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038087","9.5936","0.0012","11.1608","0.0015","14.6705","0.0018","69.414","0.007","79.03","0.007","68.15","0.007","1361.7","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H42 O5 Si -","- C25 H42 O5 Si -","- C50 H84 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0658","0.0475","","","0.1211","0.1335","","","","","","1.028","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038088","13.878","0.007","17.626","0.008","20.717","0.01","90","","97.877","0.009","90","","5020","4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C200 H304 O40 -","8","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1122","0.0566","","","0.1289","0.1567","","","","","","1.003","","","","has coordinates,has disorder","250108","2020-10-21","18:00:00",""
"4038089","11.6702","0.0002","18.6897","0.0003","21.5803","0.0004","90","","90","","90","","4706.93","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C200 H320 O40 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","1.54178","CuKα","","0.0421","0.0391","","","0.1089","0.1113","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4038090","8.674","0.001","11.5004","0.0013","23.904","0.003","90","","90","","90","","2384.5","0.5","150","2","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O6 -","- C25 H40 O6 -","- C100 H160 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0617","0.0383","","","0.0977","0.1138","","","","","","0.676","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038091","8.2593","0.0009","28.326","0.003","10.769","0.0012","90","","90.695","0.001","90","","2519.3","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O5 Si -","- C24 H42 O5 Si -","- C96 H168 O20 Si4 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0443","0.0372","","","0.0925","0.0964","","","","","","1.043","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038092","8.5906","0.001","7.0884","0.0008","20.553","0.002","90","","90","","90","","1251.5","0.2","100","2","100.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C56 H64 O24 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0546","0.0425","","","0.0991","0.1043","","","","","","1.075","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4038093","7.8382","0.0005","16.7731","0.0011","9.7678","0.0006","90","","101.18","0.001","90","","1259.81","0.14","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0394","0.0363","","","0.0947","0.0975","","","","","","1.039","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038094","13.1931","0.0007","9.645","0.0005","15.711","0.0008","90","","98.127","0.001","90","","1979.11","0.18","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0422","0.0363","","","0.0929","0.0966","","","","","","1.045","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038095","32.983","0.005","19.298","0.003","31.32","0.004","90","","98.677","0.002","90","","19707","5","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N2 O4 -","- C27 H38 N2 O4 -","- C864 H1216 N64 O128 -","32","4","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1303","0.0688","","","0.1778","0.2284","","","","","","1.014","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038096","5.9092","0.0007","7.1583","0.0009","9.1902","0.0011","92.766","0.001","105.442","0.001","108.026","0.001","352.68","0.07","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H12 O3 -","- C7 H12 O3 -","- C14 H24 O6 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0346","0.0339","","","0.0902","0.0908","","","","","","1.079","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038097","13.0633","0.0008","7.8253","0.0005","13.0916","0.0008","90","","106.413","0.001","90","","1283.74","0.14","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0242","0.0231","","","0.0565","0.0572","","","","","","1.041","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038098","13.1127","0.0007","7.7038","0.0004","14.0568","0.0007","90","","97.859","0.004","90","","1406.65","0.13","170","0.1","170","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H35 F3 O6 Si -","- C25 H35 F3 O6 Si -","- C50 H70 F6 O12 Si2 -","2","1","","Kim, Jae Hyun; Song, Yeonghun; Kim, Min Jung; Kim, Sanghee","Asymmetric Total Synthesis of Inthomycins A, B, and C.","The Journal of organic chemistry","2020","85","7","4795","4806","10.1021/acs.joc.0c00017","","x-ray","0.71073","MoKα","","0.0658","0.0484","","","0.0953","0.1043","","","","","","1.06","","","","has coordinates","250117","2020-10-21","18:00:00",""
"4038099","9.7717","0.0016","8.6052","0.0011","6.3132","0.0009","90","","90","","90","","530.86","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 N O2 S -","- C4 H7 N O2 S -","- C16 H28 N4 O8 S4 -","4","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0447","0.036","","","0.09","0.0949","","","","","","1.057","","","","has coordinates","249676","2020-10-21","18:00:00",""
"4038100","6.4204","0.0011","11.0682","0.0019","8.9552","0.0011","90","","96.211","0.005","90","","632.64","0.17","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 N O2 S -","- C5 H9 N O2 S -","- C20 H36 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0339","0.0304","","","0.086","0.0885","","","","","","1.018","","","","has coordinates","249678","2020-10-21","18:00:00",""
"4038101","5.4761","0.0002","8.8259","0.0003","6.3408","0.0002","90","","101.156","0.002","90","","300.67","0.018","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0311","0.0295","","","0.0787","0.0807","","","","","","1.006","","","","has coordinates","249679","2020-10-21","18:00:00",""
"4038102","6.6488","0.0003","9.8314","0.0005","11.561","0.0006","90","","90","","90","","755.71","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C24 H44 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0803","0.0451","","","0.089","0.1014","","","","","","0.923","","","","has coordinates,has disorder","249680","2020-10-21","18:00:00",""
"4038103","20.487","0.0009","7.8317","0.0003","10.8348","0.0004","90","","121.185","0.004","90","","1487.22","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C48 H88 N8 O16 S8 -","8","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0547","0.0402","","","0.0934","0.0976","","","","","","0.971","","","","has coordinates","249681","2020-10-21","18:00:00",""
"4038104","8.0536","0.0003","6.891","0.0003","11.5341","0.0004","90","","98.817","0.002","90","","632.55","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N O2 S -","- C5 H9 N O2 S -","- C20 H36 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0512","0.0408","","","0.0942","0.0994","","","","","","1.042","","","","has coordinates","249682","2020-10-21","18:00:00",""
"4038105","14.58","0.006","21.854","0.01","15.012","0.007","90","","94.439","0.008","90","","4769","4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 B Cu F4 N6 -","- C50 H66 B Cu F4 N6 -","- C200 H264 B4 Cu4 F16 N24 -","4","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.1081","0.0939","","","0.2495","0.2634","","","","","","0.973","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038106","12.7795","0.0014","14.5381","0.0015","16.8715","0.0019","88.893","0.006","76.742","0.005","67.949","0.005","2820.1","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H79 B Cl2 Cu F4 N5 -","- C55.5 H73 B Cl2 Cu F4 N5 -","- C111 H146 B2 Cl4 Cu2 F8 N10 -","2","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.1323","0.0757","","","0.1864","0.2153","","","","","","1.044","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038107","11.568","0.002","14.868","0.002","20.299","0.003","90","","103.248","0.003","90","","3398.4","0.9","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cu F3 N3 O3 S -","- C33 H41 Cu F3 N3 O3 S -","- C132 H164 Cu4 F12 N12 O12 S4 -","4","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.0495","0.0422","","","0.114","0.1176","","","","","","1.058","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038108","6.1955","0.0002","13.6351","0.0005","17.2061","0.0006","90","","90","","90","","1453.51","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 O6 P -","- C14 H17 O6 P -","- C56 H68 O24 P4 -","4","1","","Hernández-Guerra, Daniel; Kennedy, Alan R.; León, Elisa I; Martín, Ángeles; Pérez-Martín, Inés; Rodríguez, María S; Suárez, Ernesto","Synthetic Approaches to Phosphasugars (2-oxo-1,2-oxaphosphacyclanes) Using the Anomeric Alkoxyl Radical β-Fragmentation Reaction as the Key Step.","The Journal of organic chemistry","2020","85","7","4861","4880","10.1021/acs.joc.0c00059","","","0.71073","MoKα","","0.0637","0.046","","","0.0826","0.0897","","","","","","1.019","","","","has coordinates","250102","2020-10-21","18:00:00",""
"4038109","12.5295","0.001","6.114","0.0004","24.4215","0.0018","90","","104.339","0.003","90","","1812.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0891","0.0433","","","0.0976","0.1191","","","","","","1.005","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038110","20.5819","0.0009","12.8776","0.0005","13.9465","0.0006","90","","102.536","0.0017","90","","3608.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0757","0.0464","","","0.1206","0.1414","","","","","","1.03","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038111","14.253","0.0006","8.2293","0.0003","16.3693","0.0008","90","","98.613","0.002","90","","1898.34","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0529","0.039","","","0.093","0.1049","","","","","","1.052","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038112","9.7179","0.0009","12.4696","0.0012","7.5883","0.0008","90","","106.874","0.005","90","","879.95","0.15","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 Cl O2 -","- C23 H15 Cl O2 -","- C46 H30 Cl2 O4 -","2","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0662","0.0426","","","0.1006","0.1142","","","","","","1.041","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038113","8.1334","0.0003","31.8582","0.0016","9.231","0.0005","90","","110.33","0.002","90","","2242.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0808","0.0472","","","0.1025","0.122","","","","","","1.029","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038114","9.424","0.009","9.68","0.009","13.829","0.01","90","","94.214","0.006","90","","1258.1","1.9","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0371","0.0339","","","0.0919","0.0947","","","","","","1.064","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038115","15.3775","0.0011","7.2583","0.0006","11.0501","0.0009","90","","90","","90","","1233.35","0.17","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.056","0.0475","","","0.1193","0.1243","","","","","","1.131","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038116","9.559","0.013","5.316","0.005","17.355","0.016","90","","92.38","0.12","90","","881.1","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","1.54184","CuKα","","0.1021","0.0779","","","0.1968","0.2149","","","","","","1.455","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038117","13.357","0.01","12.364","0.009","7.308","0.005","90","","118.676","0.016","90","","1058.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C13 H6 Cl2 O2 -","- C13 H6 Cl2 O2 -","- C52 H24 Cl8 O8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0292","0.026","","","0.0992","0.104","","","","","","0.865","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038118","9.217","0.011","12.573","0.009","9.542","0.008","90","","99.09","0.05","90","","1091.9","1.8","100","","99.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O4 -","- C15 H8 O4 -","- C60 H32 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0409","0.0363","","","0.087","0.0901","","","","","","1.045","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038119","9.457","0.003","9.423","0.004","13.368","0.005","90","","90.586","0.016","90","","1191.2","0.8","109","2","109.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O3 S -","- C15 H8 O3 S -","- C60 H32 O12 S4 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0716","0.0562","","","0.1179","0.1227","","","","","","1.128","","","","has coordinates,has disorder","250097","2020-10-21","18:00:00",""
"4038120","11.825","0.015","17.04","0.03","16.23","0.02","90","","109.86","0.03","90","","3076","8","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 O4 -","- C21 H12 O4 -","- C168 H96 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0914","0.0684","","","0.1686","0.183","","","","","","1.09","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038121","17.395","0.008","9.112","0.004","10.203","0.003","90","","90","","90","","1617.2","1.1","100.01","","100.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H12 O4 -","- C23 H12 O4 -","- C92 H48 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0364","0.0342","","","0.0925","0.0944","","","","","","1.085","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038122","13.845","0.005","13.921","0.005","18.938","0.007","90","","90","","90","","3650","2","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 O4 -","- C25 H14 O4 -","- C200 H112 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.0794","0.0839","","","","","","1.074","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038123","8.351","0.004","21.414","0.006","13.48","0.004","90","","90","","90","","2410.6","1.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C33 H18 O4 -","- C33 H18 O4 -","- C132 H72 O16 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0375","0.0362","","","0.1175","0.1194","","","","","","1.071","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038124","5.3479","0.0008","17.257","0.003","28.107","0.004","90","","90","","90","","2594","0.7","100","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 Cl2 O4 -","- C34 H20 Cl2 O4 -","- C136 H80 Cl8 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0612","0.0496","","","0.1251","0.1312","","","","","","1.039","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038125","26.405","0.003","29.054","0.003","13.1898","0.0011","90","","105.232","0.003","90","","9763.4","1.7","100","2","99.89","","","","","","","","","6","C 1 2/m 1","-C 2y","12","none","","","- C132 H204 Cl36 Cu12 N48 O49.66 -","- C132 H204 Cl36 Cu12 N48 O49.664 -","- C264 H408 Cl72 Cu24 N96 O99.328 -","2","0.25","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0851","0.0617","","","0.119","0.1309","","","","","","1.059","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038126","11.471","0.001","7.8357","0.0007","24.225","0.003","90","","90.475","0.003","90","","2177.3","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Fe(L8)","","","- C13 H20 Cl2 F6 N4 O6 S2 -","- C13 H20 Cl2 F6 N4 O6 S2 -","- C52 H80 Cl8 F24 N16 O24 S8 -","4","1","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0437","0.0306","","","0.071","0.0778","","","","","","1.0641","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038127","8.3484","0.0009","8.596","0.0008","10.5662","0.0008","94.799","0.007","97.856","0.007","97.882","0.008","739.98","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Rinaldi, Antonia; Langé, Vittoria; Scarpi, Dina; Occhiato, Ernesto G.","One-Pot Access to 1,7a-Dihydro-1,3a-ethano-indene and 1,8a-Dihydro-1,3a-ethano-azulene Skeletons by a Sequential Gold(I)-Catalyzed Propargyl Claisen Rearrangement/Nazarov Cyclization/[4+2] Cycloaddition Reaction.","The Journal of organic chemistry","2020","85","7","5078","5086","10.1021/acs.joc.0c00088","","x-ray","1.54184","CuKα","","0.1385","0.0928","","","0.2293","0.3109","","","","","","1.071","","","","has coordinates","250103","2020-10-21","18:00:00",""
"4038128","7.7659","0.0004","24.493","0.0011","11.05","0.0005","90","","102.439","0.005","90","","2052.48","0.17","100","0.1","100","0","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1624","0.1103","","","0.2986","0.3674","","","","","","1.099","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038129","7.63396","0.00009","24.8669","0.0002","11.3736","0.0001","90","","102.352","0.001","90","","2109.1","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 S2 -","- C29 H22 S2 -","- C116 H88 S8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.037","0.0367","","","0.0983","0.0986","","","","","","1.078","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038130","30.826","0.003","30.826","0.003","10.4869","0.0012","90","","90","","90","","9965.1","1.8","100","0.1","100","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C33 H32 N2 -","- C33 H32 N2 -","- C528 H512 N32 -","16","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1888","0.0896","","","0.1662","0.2107","","","","","","0.897","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038131","25.198","0.002","8.1409","0.0003","17.1786","0.0008","90","","105.547","0.005","90","","3395","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H12 O S2 -","- C25 H12 O S2 -","- C200 H96 O8 S16 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","x-ray","1.54184","CuKα","","0.1119","0.0936","","","0.2509","0.2654","","","","","","1.038","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038132","4.8822","0.0002","24.2724","0.0011","18.1588","0.0008","90","","111.851","0.005","90","","1997.27","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","0.71073","MoKα","","0.0833","0.0541","","","0.1149","0.1275","","","","","","1.022","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038133","28.0545","0.0005","28.0545","0.0005","5.2665","0.0002","90","","90","","90","","4145.03","0.19","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C59 H52 N4 O -","- C59 H48 N4 O -","- C236 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0422","0.0392","","","0.1013","0.1034","","","","","","1.045","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038134","28.056","0.0004","28.056","0.0004","5.2757","0.0002","90","","90","","90","","4152.71","0.18","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C118 H99 N9 -","- C118 H96 N9 -","- C236 H192 N18 -","2","0.25","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0437","0.0398","","","0.0974","0.0992","","","","","","1.072","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038135","28.0572","0.0004","28.0572","0.0004","5.2734","0.0001","90","","90","","90","","4151.25","0.11","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C61 H54 N4 O -","- C61 H48 N4 O -","- C244 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0449","0.0441","","","0.1332","0.134","","","","","","1.087","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038136","16.6762","0.0008","15.5082","0.0006","6.1829","0.0001","90","","90","","90","","1599.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","1.54184","CuKα","","0.1039","0.0795","","","0.1977","0.2221","","","","","","1.02","","","","has coordinates","249800","2020-10-21","18:00:00",""
"4038137","15.8646","0.001","5.3549","0.0003","10.5519","0.0006","90","","90","","90","","896.42","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H10 F N O -","- C11 H10 F N O -","- C44 H40 F4 N4 O4 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","0.71073","MoKα","","0.0692","0.059","","","0.161","0.171","","","","","","1.033","","","","has coordinates","249801","2020-10-21","18:00:00",""
"4038138","15.8628","0.0009","10.9634","0.0006","16.5749","0.0009","90","","117.617","0.0019","90","","2554.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C96 H120 N8 O32 S8 -","8","2","","Yuan, Yang; Chen, Bo; Zhang, Youcan; Wu, Xiao-Feng","Pd/C-Catalyzed Carbonylative Synthesis of α-Carbonyl-α'-Amide Sulfoxonium Ylides from Azides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00273","","","0.71073","MoKα","","0.0428","0.0351","","","0.0912","0.0986","","","","","","1.068","","","","has coordinates","249802","2020-10-21","18:00:00",""
"4038139","6.2091","0.0007","11.431","0.0014","31.863","0.004","90","","94.557","0.004","90","","2254.4","0.5","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C29 H27 N3 -","- C29 H27 N3 -","- C116 H108 N12 -","4","2","","Chang, Meng-Yang; Tsai, Yu-Lin","One-Pot Amberlyst 15-Controlled Cyclocondensation of Piperidines and Arylaldehydes. Synthesis of 3,5-Diarylmethyl Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03315","","","0.71073","MoKα","","0.0691","0.0471","","","0.107","0.1236","","","","","","1.079","","","","has coordinates","249803","2020-10-21","18:00:00",""
"4038140","7.5972","0.0002","23.8844","0.0006","15.6911","0.0003","90","","90.8293","0.001","90","","2846.92","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 O3 P -","- C36 H37 O3 P -","- C144 H148 O12 P4 -","4","1","","Rahman, Md Shafiqur; Yoshikai, Naohiko","Synthesis of triphenylene-fused phosphole oxides via C‒H functionalizations","Beilstein Journal of Organic Chemistry","2020","16","","524","529","10.3762/bjoc.16.48","","","0.71073","MoKα","","0.0788","0.0521","","","0.1011","0.1137","","","","","","1.075","","","","has coordinates","258199","2020-10-21","18:00:00",""
"4038141","8.2025","0.0004","8.57","0.0004","12.1558","0.0006","99.418","0.002","99.192","0.002","116.633","0.002","726.73","0.06","170","2","169.98","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0692","0.0477","","","0.106","0.1214","","","","","","1.047","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038142","8.1535","0.0003","23.0669","0.0009","11.4261","0.0006","90","","96.471","0.004","90","","2135.28","0.16","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0693","0.0487","","","0.1199","0.1349","","","","","","1.054","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038143","16.8351","0.0005","25.1745","0.0008","7.294","0.0002","90","","90","","90","","3091.31","0.16","170","2","170","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H13 F2 N O -","- C22 H13 F2 N O -","- C176 H104 F16 N8 O8 -","8","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0571","0.044","","","0.1174","0.1298","","","","","","1.049","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038144","9.1814","0.0009","11.0147","0.0012","12.5984","0.0014","80.885","0.004","84.454","0.004","65.767","0.004","1146.4","0.2","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C50 H48 N4 O8 S2 -","2","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0405","0.0374","","","0.0979","0.1008","","","","","","1.038","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038145","14.297","0.005","5.3712","0.0019","14.656","0.006","90","","89.839","0.015","90","","1125.5","0.7","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0405","0.0366","","","0.0965","0.1002","","","","","","1.062","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038146","10.2162","0.0016","14.533","0.003","16.867","0.003","90","","97.256","0.007","90","","2484.2","0.8","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(4-methoxyphenyl)-2,3-diphenylpentaleno[1,2-a]biphenylene","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Mayer, Péter J; El Bakouri, Ouissam; Holczbauer, Tamás; Samu, Gergely F.; Janáky, Csaba; Ottosson, Henrik; London, Gábor","Structure-property relationships in unsymmetric bis(antiaromatics): Who wins the battle between pentalene and benzocyclobutadiene?","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03119","","","0.71075","MoKα","","0.111","0.0688","","","0.114","0.1272","","","","","","1.137","","","","has coordinates","249841","2020-10-21","18:00:00",""
"4038147","10.5804","0.0005","17.897","0.0006","12.255","0.0005","90","","115.276","0.005","90","","2098.41","0.17","293.1","0.1","293.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C49 H50 O8 -","- C49 H50 O8 -","- C98 H100 O16 -","2","1","","Li, Yulong; Xu, Zhezhe; Xie, Zhipeng; Guan, Xingchao; Xie, Zhixiang","Total Synthesis of Nominal <i>ent</i>-Chlorabietol B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00233","","x-ray","1.54184","CuKα","","0.0512","0.0464","","","0.1148","0.1205","","","","","","1.061","","","","has coordinates","249882","2020-10-21","18:00:00",""
"4038148","18.904","0.0008","7.2383","0.0003","25.7728","0.0011","90","","96.279","0.002","90","","3505.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","19070z","","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C168 H120 N8 O48 -","8","1","","Noland, Wayland E.; Kumar, Honnaiah Vijay; Reddi, Yernaidu; Cramer, Christopher J.; Novikov, Alexei V.; Kim, Hyejin; Zhu, Yumeng; Chin, Yoke Ching; Zhou, Yuqi; Radakovic, Predrag; Uprety, Anjola; Xie, Jun; Flick, Grant C.","Diels-Alder/Ene Reactivities of 2-(1´-Cycloalkenyl)thiophenes and 2-(1´-Cycloalkenyl)benzo[b]thiophenes with N-Phenylmaleimides: Role of Cycloalkene Ring Size on Benzothiophene and Dibenzothiophene Product Distributions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03363","","","0.71073","MoKα","","0.0499","0.0406","","","0.1031","0.1094","","","","","","1.039","","","","has coordinates","249883","2020-10-21","18:00:00",""
"4038149","7.6871","0.0017","13.649","0.003","25.234","0.005","90","","90","","90","","2647.6","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","19091z","","","- C30 H24 Br2 N2 O4 S -","- C30 H24 Br2 N2 O4 S -","- C120 H96 Br8 N8 O16 S4 -","4","1","","Noland, Wayland E.; Kumar, Honnaiah Vijay; Reddi, Yernaidu; Cramer, Christopher J.; Novikov, Alexei V.; Kim, Hyejin; Zhu, Yumeng; Chin, Yoke Ching; Zhou, Yuqi; Radakovic, Predrag; Uprety, Anjola; Xie, Jun; Flick, Grant C.","Diels-Alder/Ene Reactivities of 2-(1´-Cycloalkenyl)thiophenes and 2-(1´-Cycloalkenyl)benzo[b]thiophenes with N-Phenylmaleimides: Role of Cycloalkene Ring Size on Benzothiophene and Dibenzothiophene Product Distributions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03363","","","0.71073","MoKα","","0.0669","0.0566","","","0.1391","0.1459","","","","","","1.073","","","","has coordinates","249884","2020-10-21","18:00:00",""
"4038150","11.104","0.002","18.824","0.004","12.741","0.003","90","","90.46","0.03","90","","2663.1","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 F N O5 S -","- C30 H28 F N O5 S -","- C120 H112 F4 N4 O20 S4 -","4","1","","Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin","Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00087","","","0.71073","MoKα","","0.0799","0.0538","","","0.1226","0.1401","","","","","","1.019","","","","has coordinates","249885","2020-10-21","18:00:00",""
"4038151","56.287","0.011","11.896","0.002","16.142","0.003","90","","90","","90","","10809","3","113","2","113.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C29 H26 F N O5 S -","- C29 H26 F N O5 S -","- C464 H416 F16 N16 O80 S16 -","16","1","","Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin","Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00087","","","0.71073","MoKα","","0.0684","0.0627","","","0.1691","0.1757","","","","","","1.069","","","","has coordinates","249886","2020-10-21","18:00:00",""
"4038152","11.9373","0.0007","17.1695","0.0008","19.1617","0.0011","90","","106.874","0.006","90","","3758.2","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 N O8 -","- C45 H53 N O8 -","- C180 H212 N4 O32 -","4","1","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0844","0.0657","","","0.1842","0.2045","","","","","","1.057","","","","has coordinates","249887","2020-10-21","18:00:00",""
"4038153","12.4816","0.0008","13.6012","0.0015","14.6525","0.0012","64.281","0.009","77.984","0.006","77.832","0.007","2171.4","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92.6 H116.6 F4.8 N O23.6 -","- C92.6 H116.6 F4.8 N O23.6 -","- C92.6 H116.6 F4.8 N O23.6 -","1","0.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0881","0.073","","","0.2094","0.2282","","","","","","1.032","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038154","12.3935","0.0009","12.7003","0.001","31.989","0.002","79.2","0.007","80.931","0.006","81.646","0.007","4849.2","0.6","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C300.75 H72 N O13.75 -","- C49 H65 N O12 -","- C196 H260 N4 O48 -","4","2","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","","0.71073","MoKα","","0.1969","0.1213","","","0.2857","0.338","","","","","","1.07","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038155","12.5897","0.0013","12.7023","0.0013","15.9641","0.0015","77.76","0.009","75.988","0.009","73.191","0.009","2343.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C102 H126 N2 O23 -","- C102 H126 N2 O23 -","- C102 H126 N2 O23 -","1","0.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0645","0.0494","","","0.1249","0.1353","","","","","","1.029","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038156","50.063","0.002","16.205","0.0008","16.6954","0.0006","90","","90","","90","","13544.5","1","133","19","133","19","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C51 H63 N O10 -","- C51 H63 N O10 -","- C612 H756 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1171","0.0996","","","0.2118","0.2222","","","","","","1.096","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038157","50.2896","0.0007","16.4078","0.0003","16.6971","0.0004","90","","90","","90","","13777.5","0.5","120.01","0.1","120.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C52 H65 N O10 -","- C52 H65 N O10 -","- C624 H780 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1073","0.0672","","","0.1665","0.1917","","","","","","1.011","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038158","12.1038","0.0012","13.3562","0.0012","14.1984","0.0015","68.194","0.009","72.806","0.009","89.471","0.008","2022.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C47 H54 O10 -","- C47 H54 O10 -","- C94 H108 O20 -","2","1","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0462","0.0377","","","0.0989","0.1063","","","","","","1.027","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038159","14.511","0.002","14.511","0.002","10.2","0.002","90","","90","","120","","1860.1","0.5","170","0.1","170","0.1","","","","","","","","5","P 32","P 32","145","","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","","0.71073","MoKα","","0.0612","0.0451","","","0.0893","0.0969","","","","","","1.043","","","","has coordinates","249887","2020-10-21","18:00:00",""
"4038160","16.5911","0.0009","5.9508","0.0004","12.3528","0.0007","90","","93.863","0.002","90","","1216.82","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Zhang, Yuan; Lee, Jack Chang Hung; Reese, Matthew R.; Boscoe, Brian P.; Humphrey, John M.; Helal, Christopher J.","5-Aryl Tetrazoles from Direct C-H Arylation with Aryl Bromides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00085","","","1.54178","CuKα","","0.0424","0.0392","","","0.1115","0.1158","","","","","","1.022","","","","has coordinates","249888","2020-10-21","18:00:00",""
"4038161","13.1147","0.0005","22.827","0.0008","9.7575","0.0003","90","","98.306","0.002","90","","2890.46","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 O4 S2 -","- C33 H30 N2 O4 S2 -","- C132 H120 N8 O16 S8 -","4","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.0525","0.0394","","","0.0948","0.1014","","","","","","1.048","","","","has coordinates","249939","2020-10-21","18:00:00",""
"4038162","32.963","0.003","8.7052","0.0009","15.5575","0.0015","90","","114.78","0.003","90","","4053.2","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","u180316mor1","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C176 H160 N16 O32 S16 -","8","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.0352","0.0343","","","0.094","0.0951","","","","","","1.067","","","","has coordinates","249940","2020-10-21","18:00:00",""
"4038163","9.7296","0.0006","28.0212","0.0017","10.7123","0.0007","90","","106.789","0.0019","90","","2796.1","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 O4 S2 -","- C33 H30 N2 O4 S2 -","- C132 H120 N8 O16 S8 -","4","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.037","0.0368","","","0.0987","0.0989","","","","","","1.085","","","","has coordinates","249941","2020-10-21","18:00:00",""
"4038164","15.7467","0.0013","6.3268","0.0005","13.5922","0.0011","90","","101.674","0.002","90","","1326.13","0.19","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Zhao, Xuchen; Song, Changqing; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Conjugated Cycloalkenones. Scope and Reactivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00197","","","0.71073","MoKα","","0.0438","0.0366","","","0.1047","0.1108","","","","","","1.035","","","","has coordinates","249942","2020-10-21","18:00:00",""
"4038165","12.775","0.002","6.3219","0.001","15.637","0.003","90","","90.785","0.005","90","","1262.8","0.4","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zhao, Xuchen; Song, Changqing; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Conjugated Cycloalkenones. Scope and Reactivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00197","","","0.71073","MoKα","","0.1204","0.0688","","","0.1455","0.1679","","","","","","1.031","","","","has coordinates","249943","2020-10-21","18:00:00",""
"4038166","11.6186","0.0005","11.8426","0.0007","18.1021","0.001","90","","99.144","0.005","90","","2459.1","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Tang, Zhi; Peng, Lingteng; Yuan, Yu; Li, Tianjing; Qiu, Renhua; Kambe, Nobuaki","Synthesis of Triarylmethanes by Decarbonylation of 3, 3-Diaryl Benzofuranones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03433","","x-ray","0.71073","MoKα","","0.0618","0.0505","","","0.1258","0.1333","","","","","","1.049","","","","has coordinates","249944","2020-10-21","18:00:00",""
"4038167","33.9498","0.0008","21.4322","0.0005","12.1761","0.0003","90","","100.114","0.002","90","","8721.9","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H65 B F2 N2 Si2 -","- C44 H65 B F2 N2 Si2 -","- C352 H520 B8 F16 N16 Si16 -","8","2","","Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki","Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties.","Beilstein journal of organic chemistry","2020","16","","587","595","10.3762/bjoc.16.53","","","0.71073","MoKα","","0.0966","0.064","","","0.1419","0.1603","","","","","","1.002","","","","has coordinates","251799","2020-10-21","18:00:00",""
"4038168","19.9534","0.0004","8.04654","0.00017","25.0121","0.0005","90","","101.75","0.002","90","","3931.69","0.14","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H57 B F2 N2 Si2 -","- C40 H57 B F2 N2 Si2 -","- C160 H228 B4 F8 N8 Si8 -","4","1","","Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki","Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties.","Beilstein journal of organic chemistry","2020","16","","587","595","10.3762/bjoc.16.53","","","0.71073","MoKα","","0.0571","0.0462","","","0.1111","0.1174","","","","","","1.038","","","","has coordinates","251799","2020-10-21","18:00:00",""
"4038169","17.2491","0.001","7.725","0.0003","16.6517","0.001","90","","115.121","0.007","90","","2009","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0573","0.0457","","","0.1067","0.1131","","","","","","1.079","","","","has coordinates","249980","2020-10-21","18:00:00",""
"4038170","6.947","0.0003","14.4082","0.0007","15.4652","0.0007","90","","90","","90","","1547.97","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 S2 -","- C12 H18 N2 O4 S2 -","- C48 H72 N8 O16 S8 -","4","1","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0398","0.0353","","","0.0813","0.0836","","","","","","1.066","","","","has coordinates","249981","2020-10-21","18:00:00",""
"4038171","26.497","0.005","6.2682","0.0014","8.054","0.003","90","","94.61","0.03","90","","1333.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O0 -","- C18 H14 N2 -","- C72 H56 N8 -","4","0.5","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0944","0.0827","","","0.2138","0.2257","","","","","","1.131","","","","has coordinates","249982","2020-10-21","18:00:00",""
"4038172","12.8072","0.001","10.7432","0.0009","14.209","0.0011","90","","98.573","0.003","90","","1933.2","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B N O5 -","- C20 H26 B N O5 -","- C80 H104 B4 N4 O20 -","4","1","","François, Benjamin; Eberlin, Ludovic; Berrée, Fabienne; Whiting, Andrew; Carboni, Bertrand","Access to Fused Pyrroles from Cyclic 1,3-Dienyl Boronic Esters and Arylnitroso Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03214","","x-ray","0.71073","MoKα","","0.0543","0.0455","","","0.1184","0.1247","","","","","","1.038","","","","has coordinates,has disorder","249983","2020-10-21","18:00:00",""
"4038173","10.986","0.004","9.394","0.003","17.213","0.007","90","","103.123","0.013","90","","1730","1.1","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","François, Benjamin; Eberlin, Ludovic; Berrée, Fabienne; Whiting, Andrew; Carboni, Bertrand","Access to Fused Pyrroles from Cyclic 1,3-Dienyl Boronic Esters and Arylnitroso Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03214","","x-ray","0.71073","MoKα","","0.0852","0.0486","","","0.1071","0.1244","","","","","","1.003","","","","has coordinates","249984","2020-10-21","18:00:00",""
"4038174","6.1564","0.0014","11.762","0.003","16.182","0.004","90","","91.513","0.008","90","","1171.4","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-<i>seco</i>-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine <i>Gentianella turkestanorum</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.1088","0.1046","","","0.2668","0.2909","","","","","","1.346","","","","has coordinates","249985","2020-10-21","18:00:00",""
"4038175","6.3727","0.0004","11.1509","0.0007","16.5132","0.0011","90","","92.463","0.003","90","","1172.37","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-<i>seco</i>-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine <i>Gentianella turkestanorum</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.0381","0.0352","","","0.0831","0.0852","","","","","","1.059","","","","has coordinates","249986","2020-10-21","18:00:00",""
"4038176","14.4047","0.0003","15.9977","0.0003","19.8734","0.0004","90","","90","","90","","4579.67","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C232 H208 O32 -","8","2","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0284","0.0279","","","0.07","0.0703","","","","","","1.049","","","","has coordinates,has disorder","250016","2020-10-21","18:00:00",""
"4038177","9.3826","0.0005","10.2522","0.0005","24.9343","0.0013","90","","90","","90","","2398.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 O3 -","- C32 H26 O3 -","- C128 H104 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0404","0.0403","","","0.1326","0.1335","","","","","","1.222","","","","has coordinates","250017","2020-10-21","18:00:00",""
"4038178","9.8835","0.0005","10.0544","0.0005","23.4202","0.0012","90","","90","","90","","2327.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 F O3 -","- C32 H25 F O3 -","- C128 H100 F4 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0736","0.0633","","","0.1893","0.199","","","","","","1.846","","","","has coordinates","250018","2020-10-21","18:00:00",""
"4038179","8.9312","0.0005","9.4412","0.0005","10.9587","0.0006","112.013","0.003","90.901","0.003","96.228","0.002","850.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C46 H30 N2 O6 -","2","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0475","0.0397","","","0.1152","0.1259","","","","","","0.998","","","","has coordinates","250019","2020-10-21","18:00:00",""
"4038180","10.1968","0.0008","13.1506","0.0009","13.4564","0.0011","90","","105.042","0.004","90","","1742.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0719","0.0379","","","0.0943","0.1101","","","","","","0.962","","","","has coordinates","250020","2020-10-21","18:00:00",""
"4038181","15.586","0.0004","12.4441","0.0003","17.1047","0.0004","90","","104.516","0.001","90","","3211.62","0.14","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C176 H104 N8 O16 -","8","2","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0455","0.0343","","","0.0853","0.096","","","","","","1.058","","","","has coordinates","250021","2020-10-21","18:00:00",""
"4038182","9.8053","0.0006","13.7494","0.0008","23.7333","0.0014","90","","96.142","0.002","90","","3181.3","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","2","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0992","0.0464","","","0.1042","0.1393","","","","","","1.063","","","","has coordinates","250022","2020-10-21","18:00:00",""
"4038183","18.4511","0.0007","7.9564","0.0004","21.9786","0.0014","90","","90","","90","","3226.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl N O2 -","- C22 H12 Cl N O2 -","- C176 H96 Cl8 N8 O16 -","8","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0375","0.0311","","","0.0766","0.0829","","","","","","1.043","","","","has coordinates","250023","2020-10-21","18:00:00",""
"4038184","9.1791","0.0005","11.656","0.0005","16.4137","0.0009","90","","94.924","0.002","90","","1749.65","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0231","0.0214","","","0.0575","0.0584","","","","","","1.071","","","","has coordinates,has disorder","250024","2020-10-21","18:00:00",""
"4038185","7.2343","0.0002","23.7071","0.0005","11.3591","0.0003","90","","105.831","0.001","90","","1874.24","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C96 H68 N4 O16 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0514","0.0412","","","0.1086","0.1172","","","","","","1.021","","","","has coordinates","250025","2020-10-21","18:00:00",""
"4038186","8.0013","0.0014","28.045","0.008","11.6926","0.0019","90","","99.809","0.016","90","","2585.4","1","292.65","0.1","292.65","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C104 H104 Br8 N16 O16 -","8","2","","Chen, Lin; He, Jin","DABCO-Catalyzed Michael/Alkylation Cascade Reactions Involving α-Substituted Ammonium Ylides for the Construction of Spirocyclopropyl Oxindoles: Access to the Powerful Chemical Leads against HIV-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03164","","x-ray","1.54184","CuKα","","0.087","0.0664","","","0.1698","0.1998","","","","","","1.031","","","","has coordinates","250026","2020-10-21","18:00:00",""
"4038187","11.6638","0.0003","7.5007","0.0002","27.8059","0.0008","90","","90","","90","","2432.65","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N3 O S -","- C14 H9 N3 O S -","- C112 H72 N24 O8 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0521","0.0391","","","0.0845","0.0914","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038188","13.0311","0.0013","10.4176","0.001","30.827","0.003","90","","90","","90","","4184.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O3 S -","- C24 H20 N4 O3 S -","- C192 H160 N32 O24 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.1051","0.0521","","","0.09","0.1022","","","","","","0.964","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038189","10.0149","0.0005","15.6728","0.0008","8.2966","0.0004","90","","102.539","0.002","90","","1271.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O S2 -","- C12 H13 N3 O S2 -","- C48 H52 N12 O4 S8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0307","0.0284","","","0.0783","0.0805","","","","","","1.086","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038190","11.4655","0.0007","12.7451","0.0008","15.4702","0.0011","90","","100.414","0.003","90","","2223.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O3 Se -","- C24 H26 N4 O3 Se -","- C96 H104 N16 O12 Se4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.036","0.0297","","","0.0738","0.0769","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038191","15.4232","0.0008","6.0725","0.0004","24.6911","0.0015","90","","102.638","0.003","90","","2256.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N5 O2 -","- C25 H25 N5 O2 -","- C100 H100 N20 O8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0923","0.0628","","","0.1673","0.1978","","","","","","1.072","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038192","5.6027","0.0002","14.3253","0.0006","17.1845","0.0007","90","","98.536","0.002","90","","1363.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0418","0.0309","","","0.0725","0.0777","","","","","","1.036","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038193","9.4501","0.0003","9.7777","0.0003","23.5886","0.0008","90","","90","","90","","2179.59","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.046","0.043","","","0.1172","0.1202","","","","","","1.009","","","","has coordinates","250421","2020-10-21","18:00:00",""
"4038194","9.2465","0.0003","7.9689","0.0003","13.2794","0.0006","90","","99.416","0.004","90","","965.3","0.07","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O3 -","- C24 H20 Cl N O3 -","- C48 H40 Cl2 N2 O6 -","2","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","x-ray","0.71073","MoKα","","0.0565","0.0429","","","0.0877","0.0926","","","","","","1.057","","","","has coordinates","250422","2020-10-21","18:00:00",""
"4038195","8.6867","0.0002","15.1223","0.0003","16.0874","0.0003","90","","90","","90","","2113.29","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.0483","0.0432","","","0.0872","0.0907","","","","","","1.125","","","","has coordinates","250423","2020-10-21","18:00:00",""
"4038196","29.674","0.002","8.4545","0.0005","10.8501","0.0007","90","","98.249","0.007","90","","2693.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.1552","0.0723","","","0.2038","0.2456","","","","","","1.034","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038197","10.8446","0.0014","6.0594","0.0007","21.418","0.002","90","","97.942","0.01","90","","1393.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.151","0.0562","","","0.1405","0.1625","","","","","","0.821","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038198","10.7448","0.0007","6.3538","0.0004","22.0582","0.0013","90","","97.96","0.006","90","","1491.41","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.0949","0.058","","","0.17","0.1866","","","","","","1.05","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038199","8.4816","0.0007","8.7359","0.0011","20.784","0.002","90","","95.956","0.01","90","","1531.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N O3 -","- C18 H12 N O3 -","- C72 H48 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.17","0.0638","","","0.1705","0.2226","","","","","","0.936","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038200","7.2903","0.0005","9.2896","0.0005","11.4353","0.0007","77.524","0.005","79.007","0.006","69.24","0.006","701.52","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C38 H22 N2 O6 -","2","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.0619","0.0361","","","0.0816","0.087","","","","","","0.881","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038201","6.691","0.005","29.13","0.02","14.044","0.012","90","","97.183","0.017","90","","2716","4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 B4 Cl4 O8 -","- C56 H64 B4 Cl4 O8 -","- C112 H128 B8 Cl8 O16 -","2","0.5","","Kano, Haruka; Uehara, Keiji; Matsuo, Kyohei; Hayashi, Hironobu; Yamada, Hiroko; Aratani, Naoki","Direct borylation of terrylene and quaterrylene.","Beilstein journal of organic chemistry","2020","16","","621","627","10.3762/bjoc.16.58","","","0.71073","MoKα","","0.259","0.0847","","","0.1476","0.2254","","","","","","0.925","","","","has coordinates","251803","2020-10-21","18:00:00",""
"4038202","7.1061","0.0018","11.735","0.003","18.004","0.004","90","","96.144","0.005","90","","1492.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Chen, Yuepeng; Liu, Xinglei; Shi, Wei; Zheng, Shilong; Wang, Guangdi; He, Ling","One-Pot Synthesis of Seven-Membered Heterocyclic Derivatives of Diazepines Involving Copper-Catalyzed Rearrangement Cascade Allyl-Amination.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02710","","","0.71073","MoKα","","0.0664","0.0481","","","0.1135","0.1223","","","","","","1.048","","","","has coordinates","250459","2020-10-21","18:00:00",""
"4038203","9.7164","0.0018","10.1395","0.0015","13.851","0.003","71.337","0.005","88.764","0.006","77.117","0.01","1258.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jh96f","","","- C22 H40 F3 N3 O2 S -","- C22 H40 F3 N3 O2 S -","- C44 H80 F6 N6 O4 S2 -","2","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0422","0.0346","","","0.0845","0.0903","","","","","","1.053","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038204","10.2414","0.0004","17.5228","0.0006","14.1388","0.0005","90","","107.322","0.0012","90","","2422.25","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ta17","","","- C25 H22 F3 N2 O2 P S -","- C25 H22 F3 N2 O2 P S -","- C100 H88 F12 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0487","0.0371","","","0.0905","0.0993","","","","","","1.048","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038205","9.8521","0.0003","10.4233","0.0004","13.8342","0.0005","72.0296","0.0013","88.1523","0.0012","75.7263","0.0012","1308.15","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ta18","","","- C22 H40 F3 N2 O2 P S -","- C22 H40 F3 N2 O2 P S -","- C44 H80 F6 N4 O4 P2 S2 -","2","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0713","0.0473","","","0.1057","0.1164","","","","","","1.032","","","","has coordinates,has disorder","250460","2020-10-21","18:00:00",""
"4038206","9.6191","0.0004","24.8409","0.001","11.3597","0.0004","90","","97.164","0.001","90","","2693.18","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CG38","","","- C31 H29 N2 O2 P S -","- C31 H29 N2 O2 P S -","- C124 H116 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0449","0.0349","","","0.0811","0.0879","","","","","","1.048","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038207","13.744","0.0017","20.825","0.003","11.4009","0.0018","90","","109.349","0.004","90","","3078.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","401c","","","- C37 H33 N2 O2 P S -","- C37 H33 N2 O2 P S -","- C148 H132 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0817","0.0628","","","0.1354","0.1453","","","","","","1.08","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038208","8.6461","0.0008","15.4957","0.0014","16.3096","0.0013","90","","102.024","0.003","90","","2137.2","0.3","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","494B","","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C92 H104 N16 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0471","0.0376","","","0.0918","0.0993","","","","","","1.034","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038209","9.8948","0.0003","11.5408","0.0003","26.9578","0.0007","90","","94.769","0.001","90","","3067.76","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","449b","","","- C36 H31 N2 O3 P S -","- C36 H31 N2 O3 P S -","- C144 H124 N8 O12 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0653","0.0436","","","0.1044","0.1165","","","","","","1.03","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038210","11.9827","0.0009","9.639","0.0007","18.4664","0.0015","90","","90.582","0.003","90","","2132.8","0.3","107","2","107","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","458a","","","- C23 H26 N4 O3 S -","- C23 H26 N4 O3 S -","- C92 H104 N16 O12 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0522","0.0402","","","0.0973","0.105","","","","","","1.05","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038211","9.5001","0.0003","14.8911","0.0004","30.263","0.0009","90","","91.959","0.001","90","","4278.7","0.2","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","586a","","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C184 H208 N32 O16 S8 -","8","2","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0519","0.0385","","","0.0883","0.0949","","","","","","1.062","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038212","9.3732","0.0007","7.5696","0.0005","12.4533","0.0008","90","","106.212","0.002","90","","848.44","0.1","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","353","","","- C6 H5 F3 N2 O2 S -","- C6 H5 F3 N2 O2 S -","- C24 H20 F12 N8 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0391","0.0326","","","0.0841","0.0892","","","","","","1.07","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038213","13.7763","0.0006","7.4726","0.0003","12.2799","0.0006","90","","112.011","0.001","90","","1172.01","0.09","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolH","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0629","0.0455","","","0.1006","0.1168","","","","","","1.102","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038214","7.1584","0.0004","8.4697","0.0004","21.076","0.0011","90","","94.45","0.002","90","","1273.98","0.11","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ns04a","","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C48 H56 N8 O16 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0455","0.0353","","","0.0888","0.0975","","","","","","1.052","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038215","10.0606","0.0004","17.2822","0.0005","28.0572","0.0012","97.836","0.003","99.154","0.004","94.177","0.003","4748.8","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","389b","","","- C33 H50 N2 O P2 -","- C33 H50 N2 O P2 -","- C198 H300 N12 O6 P12 -","6","3","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.1607","0.0733","","","0.1418","0.1907","","","","","","1.009","","","","has coordinates,has disorder","250460","2020-10-21","18:00:00",""
"4038216","26.0481","0.0008","6.0009","0.0002","20.9637","0.0007","90","","113.989","0.001","90","","2993.83","0.17","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PPh2H","","","- C34 H32 N4 O3 P2 -","- C34 H32 N4 O3 P2 -","- C136 H128 N16 O12 P8 -","4","0.5","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0363","0.0321","","","0.0818","0.085","","","","","","1.057","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038217","22.0954","0.0014","8.0559","0.0006","16.8525","0.0011","90","","90.975","0.002","90","","2999.3","0.4","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","482saccH","","","- C14 H15 N3 O3 S2 -","- C14 H15 N3 O3 S2 -","- C112 H120 N24 O24 S16 -","8","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0319","0.029","","","0.0786","0.0812","","","","","","1.08","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038218","7.6885","0.0002","16.2545","0.0003","24.4389","0.0006","90","","96.585","0.001","90","","3034.05","0.12","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","500a","","","- C36 H28 N3 O2 P S -","- C36 H28 N3 O2 P S -","- C144 H112 N12 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0615","0.0451","","","0.1074","0.1156","","","","","","1.049","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038219","18.1807","0.0006","27.4981","0.0007","9.6395","0.0002","90","","102.021","0.001","90","","4713.4","0.2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","ta02","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C192 H272 N16 O32 -","16","4","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0818","0.0572","","","0.1288","0.141","","","","","","1.019","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038220","10.7237","0.0004","14.8564","0.0005","14.6583","0.0005","90","","103.02","0.001","90","","2275.26","0.14","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","127brecryst","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","2","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0495","0.0361","","","0.0867","0.0967","","","","","","1.073","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038221","15.5395","0.0016","7.0403","0.0007","16.2326","0.0018","90","","112.518","0.013","90","","1640.5","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.0982","0.0507","","","0.1088","0.1323","","","","","","1.022","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038222","8.7983","0.0006","15.2437","0.0008","18.2257","0.0011","90","","101.332","0.007","90","","2396.8","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1387","0.0731","","","0.166","0.2081","","","","","","0.992","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038223","6.6852","0.0007","15.879","0.0018","17.665","0.004","90","","90","","90","","1875.2","0.5","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br N O3 -","- C22 H16 Br N O3 -","- C88 H64 Br4 N4 O12 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1651","0.0701","","","0.1417","0.1905","","","","","","1.016","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038224","12.5491","0.0015","8.3129","0.0009","26.875","0.004","90","","102.001","0.012","90","","2742.3","0.6","298.15","","298.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H13 Br2 N O4 -","- C12 H13 Br2 N O4 -","- C96 H104 Br16 N8 O32 -","8","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.0842","0.0638","","","0.1576","0.1779","","","","","","1.034","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038225","14.974","0.003","6.769","0.0006","14.617","0.002","90","","117.79","0.02","90","","1310.7","0.4","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br2 N O4 -","- C11 H11 Br2 N O4 -","- C44 H44 Br8 N4 O16 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1513","0.0621","","","0.0885","0.114","","","","","","0.983","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038226","14.7062","0.0005","7.5665","0.0003","14.5836","0.0005","90","","113.948","0.001","90","","1483.08","0.09","173","2","172.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br2 O3 -","- C14 H16 Br2 O3 -","- C56 H64 Br8 O12 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","","1.34138","GaKα","","0.0214","0.0212","","","0.0516","0.0518","","","","","","1.134","","","","has coordinates","250462","2020-10-21","18:00:00",""
"4038227","7.7122","0.0003","6.9375","0.0002","20.1264","0.0008","90","","94.982","0.003","90","","1072.76","0.07","190","4","190","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O3 S -","- C11 H10 N O3 S -","- C44 H40 N4 O12 S4 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.057","0.0479","","","0.1319","0.138","","","","","","1.062","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038228","8.7488","0.0003","16.633","0.0008","22.2697","0.001","90.008","0.004","89.96","0.004","90.013","0.003","3240.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O5 S2 -","- C16 H14 N2 O5 S2 -","- C128 H112 N16 O40 S16 -","8","4","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1869","0.1571","","","0.3869","0.3994","","","","","","1.065","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038229","7.0032","0.0002","10.8265","0.0002","11.8966","0.0002","101.805","0.002","104.363","0.002","100.367","0.002","829.63","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N2 O2 S -","- C17 H21 N2 O2 S -","- C34 H42 N4 O4 S2 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0615","0.0556","","","0.1592","0.1654","","","","","","1.055","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038230","27.2818","0.0014","14.841","0.0008","6.2806","0.0003","90","","90","","90","","2542.9","0.2","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C26 H28 N4 O4 S2 -","- C26 H28 N4 O4 S2 -","- C104 H112 N16 O16 S8 -","4","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0495","0.0445","","","0.095","0.097","","","","","","1.008","","","","has coordinates,has disorder","251472","2020-10-21","18:00:00",""
"4038231","9.7299","0.0005","13.0223","0.0007","13.4524","0.0005","94.656","0.004","107.814","0.004","103.627","0.005","1555.31","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N4 O6 S2 -","- C32 H32 N4 O6 S2 -","- C64 H64 N8 O12 S4 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1449","0.0847","","","0.2986","0.3266","","","","","","1.193","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038232","8.0998","0.0005","11.0792","0.0006","30.7422","0.0009","95.055","0.004","95.992","0.004","100.265","0.005","2683.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O4 S2 -","- C28 H32 N4 O4 S2 -","- C112 H128 N16 O16 S8 -","4","2","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1447","0.115","","","0.3299","0.3434","","","","","","1.1","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038233","8.4938","0.0003","8.723","0.0003","11.1325","0.0004","68.036","0.003","75.071","0.004","81.671","0.003","738.05","0.05","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.1067","0.0851","","","0.2877","0.3348","","","","","","1.346","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038234","8.575","0.0005","8.8529","0.0004","10.6185","0.0008","72.078","0.006","67.668","0.006","75.284","0.004","700.79","0.08","295.8","0.2","295.8","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","MoKα","","0.1269","0.1131","","","0.404","0.4095","","","","","","1.103","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038235","22.7162","0.0006","14.2568","0.0004","30.6478","0.0009","90","","90","","90","","9925.6","0.5","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","1","0.125","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.0685","0.0519","","","0.1309","0.1402","","","","","","1.032","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038236","16.76","0.005","25.156","0.011","6.3059","0.0013","90","","90","","90","","2658.7","1.5","301.45","0.1","301.45","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H28 N2 O4 S4 -","- C27 H28 N2 O4 S4 -","- C108 H112 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","synchrotron","","0.1394","0.0788","","","0.2057","0.2595","","","","","","0.9728","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038237","11.2696","0.0002","11.1966","0.0002","16.4635","0.0003","90","","96.598","0.002","90","","2063.63","0.06","298.89","0.1","298.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 S4 -","- C19 H20 N2 O4 S4 -","- C76 H80 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.0442","0.0379","","","0.103","0.1071","","","","","","1.099","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038238","9.2898","0.0008","11.6784","0.0009","12.1295","0.001","92.062","0.003","112.04","0.003","110.021","0.003","1125.43","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C50 H48 N4 O10 -","2","1","","Pradhan, Sourav; Roy, Subhasish; Banerjee, Sonbidya; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Oxidative C-H/N-H Annulation of Aromatic Amides with Dialkyl Malonates: Access to Isoindolinones and Dihydrobenzoindoles.","The Journal of organic chemistry","2020","85","8","5741","5749","10.1021/acs.joc.0c00466","","","0.71073","MoKα","","0.0805","0.052","","","0.1222","0.1443","","","","","","1.024","","","","has coordinates","251474","2020-10-21","18:00:00",""
"4038239","11.187","0.006","9.038","0.005","20.928","0.011","90","","97.133","0.017","90","","2100","2","210","","210","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F2 N O4 S -","- C23 H19 F2 N O4 S -","- C92 H76 F8 N4 O16 S4 -","4","1","","Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An","Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis.","Beilstein journal of organic chemistry","2020","16","","638","644","10.3762/bjoc.16.60","","","0.71073","MoKα","","0.0967","0.0525","","","0.1142","0.1388","","","","","","0.98","","","","has coordinates","251800","2020-10-21","18:00:00",""
"4038240","5.5826","0.0008","16.132","0.002","11.8958","0.0013","90","","90.12","0.05","90","","1071.3","0.2","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl F2 N O4 S -","- C23 H20 Cl F2 N O4 S -","- C46 H40 Cl2 F4 N2 O8 S2 -","2","1","","Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An","Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis.","Beilstein journal of organic chemistry","2020","16","","638","644","10.3762/bjoc.16.60","","","0.71073","MoKα","","0.0685","0.0434","","","0.0836","0.0982","","","","","","1.035","","","","has coordinates","251800","2020-10-21","18:00:00",""
"4038241","13.7682","0.0002","8.6348","0.0001","22.2785","0.0003","90","","96.143","0.001","90","","2633.39","0.06","200","2","199.97","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl N O3 -","- C33 H26 Cl N O3 -","- C132 H104 Cl4 N4 O12 -","4","2","","Tu, Man-Su; Liu, Si-Jia; Zhong, Chen; Zhang, Shu; Zhang, Huiwen; Zheng, Yuan-Lin; Shi, Feng","Diastereo- and Enantioselective Construction of Biologically Important Chiral 1,3-Dioxolochroman Frameworks via Catalytic Asymmetric [4+2] Cycloadditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00119","","","1.34139","GaKα","","0.067","0.0591","","","0.1614","0.171","","","","","","1.023","","","","has coordinates","250512","2020-10-21","18:00:00",""
"4038242","7.7803","0.0005","10.9236","0.0008","18.3596","0.0014","90","","102.166","0.002","90","","1525.32","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F2 N O S -","- C17 H15 F2 N O S -","- C68 H60 F8 N4 O4 S4 -","4","1","","Ye, Zhi-Peng; Xia, Peng-Ju; Liu, Fang; Hu, Yuan-Zhuo; Song, Dan; Xiao, Jun-An; Huang, Ping; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Visible-Light-Induced, Catalyst-Free Radical Cross-Coupling Cyclization of <i>N</i>-Allylbromodifluoroacetamides with Disulfides or Diselenides.","The Journal of organic chemistry","2020","85","8","5670","5682","10.1021/acs.joc.9b03490","","","0.71073","MoKα","","0.1613","0.1262","","","0.4134","0.4429","","","","","","1.752","","","","has coordinates,has disorder","251471","2020-10-21","18:00:00",""
"4038243","7.2354","0.0019","10.971","0.003","15.02","0.005","90","","101.83","0.012","90","","1167","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","","Ramu, Gopathi; Tangella, Yellaiah; Ambala, Srinivas; Nagendra Babu, Bathini","Regioselective ring expansion of 3-ylideneoxindoles with tosyldiazomethane (TsDAM) : A metal-free and greener approach for the synthesis of pyrazolo-[1,5-c]quinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00078","","","0.71073","MoKα","","0.0623","0.0505","","","0.1671","0.1764","","","","","","1.39","","","","has coordinates","250574","2020-10-21","18:00:00",""
"4038244","23.768","0.001","7.7729","0.0003","12.6433","0.0006","90","","95.457","0.003","90","","2325.22","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 B N O6 S -","- C23 H30 B N O6 S -","- C92 H120 B4 N4 O24 S4 -","4","1","","Demchuk, Oleksandr P.; Hryshchuk, Oleksandr V.; Vashchenko, Bohdan V.; Kozytskiy, Andriy V.; Tymtsunik, Andriy V.; Komarov, Igor V.; Grygorenko, Oleksandr O.","Photochemical [2 + 2] Cycloaddition of Alkenyl Boronic Derivatives: An Entry into 3-Azabicyclo[3.2.0]heptane Scaffold.","The Journal of organic chemistry","2020","85","9","5927","5940","10.1021/acs.joc.0c00265","","","0.71073","MoKα","","0.1342","0.0754","","","0.1665","0.1995","","","","","","1.031","","","","has coordinates,has disorder","251477","2020-10-21","18:00:00",""
"4038245","9.2209","","6.6668","","9.3831","","90","","99.2121","","90","","569.376","","90","","90","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C24 H30 Br2 N4 O4 -","2","0.5","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0178","","","","0.0465","","","","","","1.077","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038246","7.5174","0.0006","10.8721","0.0009","7.6231","0.0006","90","","92.3519","0.001","90","","622.51","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C24 H26 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0227","","","","0.0612","","","","","","1.055","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038247","12.5251","0.0019","7.7888","0.0012","16.98","0.003","90","","90","","90","","1656.5","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","1","0.125","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0365","","","","0.0908","","","","","","1.012","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038248","6.849","0.006","6.272","0.005","7.042","0.006","90","","106.901","0.01","90","","289.4","0.4","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H3 Br N2 O3 -","- C3 H3 Br N2 O3 -","- C6 H6 Br2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0255","","","","0.0673","","","","","","1.117","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038249","6.667","0.0013","6.7899","0.0014","11.05","0.002","81.39","0.03","86.15","0.03","75.78","0.03","479.18","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","furoxan","","","- C10 H5 Cl N2 O2 -","- C10 H5 Cl N2 O2 -","- C20 H10 Cl2 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.2031","0.1618","","","0.3953","0.4356","","","","","","1.55","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038250","6.5586","0.0013","7.4628","0.0014","8.5758","0.0017","90","","92.046","0.003","90","","419.48","0.14","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","furoxan","","","- C8 H5 Cl N2 O3 -","- C8 H5 Cl N2 O3 -","- C16 H10 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.0345","0.0312","","","0.0734","0.076","","","","","","1.03","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038251","5.9208","0.001","7.7879","0.0013","12.68","0.002","90","","90","","90","","584.68","0.17","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 Br2 N2 O2 -","- C2 Br2 N2 O2 -","- C8 Br8 N8 O8 -","4","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0273","","","","0.0646","","","","","","0.477","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038252","5.36","0.007","9.166","0.014","18.17","0.03","94.47","0.03","94.802","0.014","101.15","0.016","869","2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","2","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.1346","","","","0.4165","","","","","","1.082","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038253","5.5643","0.0019","9.865","0.004","10.798","0.004","112.164","0.005","95.909","0.006","103.111","0.005","522.8","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O2 -","- C10 H6 Cl2 N2 O2 -","- C20 H12 Cl4 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0373","","","","0.0889","","","","","","1.042","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038254","8.652","0.0002","8.652","0.0002","19.0082","0.0006","90","","90","","120","","1232.27","0.06","149","2","149","2","","","","","","","","4","P 31","P 31","144","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C57 H57 N3 O12 -","3","1","","Maertens, Gaetan; Deruer, Elsa; Denis, Maxime; Canesi, Sylvain","Common Strategy for the Synthesis of Some Strychnos Indole Alkaloids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00572","","","1.54178","CuKα","","0.0332","0.0319","","","0.0797","0.0807","","","","","","1.049","","","","has coordinates","250736","2020-10-21","18:00:00",""
"4038255","5.95332","0.00014","10.881","0.0002","13.1778","0.0003","113.8","0.002","90.4964","0.0019","98.6123","0.0018","769.98","0.03","125","","125","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 F2 -","- C17 H28 F2 -","- C34 H56 F4 -","2","1","","Fang, Zeguo; Al-Maharik, Nawaf; Kirsch, Peer; Bremer, Matthias; Slawin, Alexandra M. Z.; O'Hagan, David","Synthesis of organic liquid crystals containing selectively fluorinated cyclopropanes.","Beilstein journal of organic chemistry","2020","16","","674","680","10.3762/bjoc.16.65","","","1.54184","CuKα","","0.0522","0.0488","","","0.2293","0.242","","","","","","1.162","","","","has coordinates","251798","2020-10-21","18:00:00",""
"4038256","17.274","0.004","7.4408","0.0015","27.913","0.006","90","","100.62","0.03","90","","3526.3","1.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H14 O2 -","- C29 H14 O2 -","- C232 H112 O16 -","8","2","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.3593","0.1217","","","0.1498","0.2096","","","","","","1","","","","has coordinates","251802","2020-10-21","18:00:00",""
"4038257","17.382","0.004","7.2895","0.0015","28.978","0.006","90","","90","","90","","3671.7","1.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.424","0.1319","","","0.2925","0.4008","","","","","","0.903","","","","has coordinates","251802","2020-10-21","18:00:00",""
"4038258","9.5224","0.0002","16.8906","0.0004","19.2805","0.0004","90","","97.05","0.002","90","","3077.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 P2 S2 -","- C36 H34 P2 S2 -","- C144 H136 P8 S8 -","4","1","","Kato, Yugo; Otomura, Nobutaka; Hirano, Koji; Miura, Masahiro","Synthesis of DPPP- and DPPPEN-Type Bidentate Ligands by Ring-Opening Diphosphination of Methylene- and Vinylcyclopropanes under Visible-Light-Promoted Photoredox Catalysis.","The Journal of organic chemistry","2020","85","9","5981","5994","10.1021/acs.joc.0c00417","","x-ray","0.71073","MoKα","","0.0471","0.0378","","","0.0957","0.1037","","","","","","1.106","","","","has coordinates","251479","2020-10-21","18:00:00",""
"4038259","27.7624","0.0004","9.77817","0.00018","10.50269","0.00019","90","","92.3518","0.0015","90","","2848.72","0.08","100","5","100","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 F3 S -","- C16 H17 F3 S -","- C128 H136 F24 S8 -","8","1","","Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Generation and NMR Study of Short-Lived and Reactive Trifluoroalkyl Carbocations of the α-Halogenothiophene Series in Brønsted Superacids: Reactions of the Cations with Arenes.","The Journal of organic chemistry","2020","85","9","5872","5883","10.1021/acs.joc.0c00170","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1183","0.121","","","","","","1.086","","","","has coordinates","251480","2020-10-21","18:00:00",""
"4038260","7.8057","0.0001","9.6433","0.0002","26.0047","0.0005","90","","91.031","0.002","90","","1957.13","0.06","100","0.11","100","0.11","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","0.5","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0491","0.0481","","","0.131","0.1313","","","","","","1.127","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038261","8.8744","0.0001","11.6564","0.0001","11.8317","0.0001","107.65","0.001","107.159","0.001","93.599","0.001","1098.7","0.02","100.01","0.12","100.01","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N3 O4 S -","- C27 H19 N3 O4 S -","- C54 H38 N6 O8 S2 -","2","1","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0465","0.0436","","","0.0942","0.0959","","","","","","1.054","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038262","14.9657","0.0002","8.176","0.0001","18.5717","0.0003","90","","106.865","0.001","90","","2174.69","0.05","170","2","170.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Wu, Xiang; Zhu, Zheng-Hao; He, Hao; Ren, Lei; Zhu, Cheng-Feng; Li, You-Gui","Construction of 1,3-Oxazolidines through a Three-Component [3+2] Cycloaddition of Tetrahydroisoquinolines, Aldehydes, and Ethyl Ketomalonate.","The Journal of organic chemistry","2020","85","9","6216","6224","10.1021/acs.joc.0c00616","","","1.34139","GaKα","","0.041","0.0369","","","0.0911","0.0948","","","","","","1.033","","","","has coordinates","251482","2020-10-21","18:00:00",""
"4038263","16.7996","0.0005","11.7198","0.0002","19.3982","0.0007","90","","122.591","0.005","90","","3217.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H33 N2 O2 P -","- C39 H33 N2 O2 P -","- C156 H132 N8 O8 P4 -","4","1","","Pattarawarapan, Mookda; Wiriya, Nittaya; Yimklan, Saranphong; Wangngae, Sirilak; Phakhodee, Wong","Zwitterionic Ring-Opened Oxyphosphonium Species from the Ph<sub>3</sub>P-I<sub>2</sub> Mediated Reactions of Benzo[<i>d</i>]oxazol-2(3<i>H</i>)-ones with Secondary Amines.","The Journal of organic chemistry","2020","85","9","6151","6158","10.1021/acs.joc.0c00211","","x-ray","0.71073","MoKα","","0.0484","0.0425","","","0.1223","0.1291","","","","","","0.961","","","","has coordinates","251483","2020-10-21","18:00:00",""
"4038264","12.3314","0.0002","13.6344","0.0002","17.26","0.0002","86.933","0.001","83.316","0.001","88.246","0.001","2877.22","0.07","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H34 Cl15 O -","- C60 H34 Cl15 O -","- C120 H68 Cl30 O2 -","2","1","","Yang, Xiao; Zhang, Di; Liao, Yinhui; Zhao, Dahui","Toward an Air-Stable Triradical with Strong Spin Coupling: Synthesis of Substituted Truxene-5,10,15-triyl.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03077","","x-ray","0.71073","MoKα","","0.0474","0.0383","","","0.1061","0.1111","","","","","","1.048","","","","has coordinates","250816","2020-10-21","18:00:00",""
"4038265","15.913","0.004","15.005","0.003","20.527","0.005","90","","111.906","0.003","90","","4547.4","1.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H35 Cl9 O3 -","- C52 H35 Cl9 O3 -","- C208 H140 Cl36 O12 -","4","1","","Yang, Xiao; Zhang, Di; Liao, Yinhui; Zhao, Dahui","Toward an Air-Stable Triradical with Strong Spin Coupling: Synthesis of Substituted Truxene-5,10,15-triyl.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03077","","","0.71073","MoKα","","0.1006","0.0855","","","0.1619","0.1697","","","","","","1.21","","","","has coordinates","250817","2020-10-21","18:00:00",""
"4038266","9.5119","0.0014","12.606","0.002","13.674","0.002","74.681","0.01","75.133","0.009","80.617","0.01","1520.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","1","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.1809","0.1471","","","0.3731","0.4035","","","","","","1.516","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038267","9.325","0.0002","12.3792","0.0003","22.7224","0.0005","90","","92.177","0.001","90","","2621.09","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Cl2 N8 O5 -","- C54 H64 Cl2 N8 O5 -","- C108 H128 Cl4 N16 O10 -","2","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.0588","0.0511","","","0.131","0.1361","","","","","","1.046","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038268","9.5008","0.0003","19.9938","0.0007","10.2841","0.0004","90","","90.605","0.002","90","","1953.43","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H51 Cl3 N8 O7 -","- C33 H51 Cl3 N8 O7 -","- C66 H102 Cl6 N16 O14 -","2","1","","Imani, Zeynab; Guillot, Régis; Declerck, Valérie; Aitken, David J.","Local versus Global Control of Helical Folding in β-Peptide Segments Using Hydrazino Turns.","The Journal of organic chemistry","2020","85","9","6165","6171","10.1021/acs.joc.0c00305","","x-ray","1.54178","CuKα","","0.0453","0.0437","","","0.118","0.1195","","","","","","1.036","","","","has coordinates","251487","2020-10-21","18:00:00",""
"4038269","8.6708","0.0015","11.5329","0.0018","17.874","0.003","90","","90","","90","","1787.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3S,3aS,6R,6aR)-3-(benzyloxy)-6-hydroxyhexahydro-4H-furo[3,2-b]pyrrole-4-carboxylate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Castán, Alejandro; Badorrey, Ramón; Díez, José A; Christoffersen, Claus T.; Rasmussen, Lars K.; Kehler, Jan; Köhler, Ralf; Gálvez, José A; Díaz-de-Villegas, María D","Debenzylative Cycloetherification as a Synthetic Tool in the Diastereoselective Synthesis of 3,6-Disubstituted Hexahydro-2<i>H</i>-furo[3,2-<i>b</i>]pyrroles, PDE1 Enzyme Inhibitors with an Antiproliferative Effect on Melanoma Cells.","The Journal of organic chemistry","2020","85","9","5941","5951","10.1021/acs.joc.0c00276","","","0.71073","MoKα","","0.072","0.0508","","","0.116","0.1266","","","","","","1.152","","","","has coordinates","251476","2020-10-21","18:00:00",""
"4038270","6.3466","0.00018","12.0072","0.0003","24.5409","0.0007","90","","90","","90","","1870.14","0.09","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 D2 F N O8 P -","- C12 H25 D2 F N O8 P -","- C48 H100 D8 F4 N4 O32 P4 -","4","1","","Kaźmierczak, Marcin; Koroniak, Henryk","Efficient synthesis of dipeptide analogues of α-fluorinated β-aminophosphonates.","Beilstein journal of organic chemistry","2020","16","","756","762","10.3762/bjoc.16.69","","x-ray","0.71073","MoKα","","0.0484","0.0406","","","0.0727","0.0753","","","","","","1.056","","","","has coordinates","251801","2020-10-21","18:00:00",""
"4038271","8.3224","0.0008","20.45","0.002","11.4338","0.0011","90","","98.814","0.004","90","","1923","0.3","283","","283.19","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Cheng, Haiyang; Yao, Xinbo; Yin, Shiwei; Wang, Tao; Zhang, Zunting","Stereoselective Synthesis of (E)-3-alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00156","","","1.54178","CuKα","","0.0418","0.0389","","","0.1066","0.1096","","","","","","1.015","","","","has coordinates","250896","2020-10-21","18:00:00",""
"4038272","10.7031","0.0014","10.096","0.0013","19.634","0.003","90","","101.314","0.003","90","","2080.4","0.5","153","","152.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N O5 -","- C22 H20 I N O5 -","- C88 H80 I4 N4 O20 -","4","1","","Cheng, Haiyang; Yao, Xinbo; Yin, Shiwei; Wang, Tao; Zhang, Zunting","Stereoselective Synthesis of (E)-3-alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00156","","","1.54178","CuKα","","0.0366","0.0366","","","0.0952","0.0952","","","","","","1.105","","","","has coordinates","250897","2020-10-21","18:00:00",""
"4038273","10.5794","0.0009","12.0811","0.001","31.213","0.003","90.007","0.002","94.017","0.002","90.367","0.002","3979.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","9-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl)zinc(II)-10-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl) nickel(II) triptycene","","- C100 H90 N8 Ni Zn -","- C100 H90 N8 Ni Zn -","- C200 H180 N16 Ni2 Zn2 -","2","1","","Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.","Towards triptycene functionalization and triptycene-linked porphyrin arrays.","Beilstein journal of organic chemistry","2020","16","","763","777","10.3762/bjoc.16.70","","x-ray","0.71073","MoKα","","0.092","0.0695","","","0.1631","0.1797","","","","","","1.053","","","","has coordinates,has disorder","251797","2020-10-21","18:00:00",""
"4038274","10.9626","0.0004","11.864","0.0004","12.8821","0.0005","90.244","0.002","93.352","0.002","98.157","0.002","1655.53","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","9-[(Triisopropylsilyl)ethynyl]-10-[(trimethylsilyl)ethynyl]-triptycene","","- C18 H21 Si -","- C18 H21 Si -","- C72 H84 Si4 -","4","2","","Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.","Towards triptycene functionalization and triptycene-linked porphyrin arrays.","Beilstein journal of organic chemistry","2020","16","","763","777","10.3762/bjoc.16.70","","x-ray","1.54178","CuKα","","0.0972","0.0808","","","0.236","0.2531","","","","","","1.058","","","","has coordinates,has disorder","251797","2020-10-21","18:00:00",""
"4038275","12.8867","0.0005","4.97269","0.00015","21.7966","0.0008","90","","106.662","0.004","90","","1338.11","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F N2 O3 -","- C17 H11 F N2 O3 -","- C68 H44 F4 N8 O12 -","4","1","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","Close Amide NH···F Hydrogen Bonding Interactions in 1,8-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00553","","","0.71073","MoKα","","0.0398","0.0361","","","0.0988","0.1022","","","","","","1.072","","","","has coordinates","250948","2020-10-21","18:00:00",""
"4038276","4.8492","0.0002","12.3436","0.0005","17.6866","0.0008","90","","92.08","0.004","90","","1057.96","0.08","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 F4 N O -","- C12 H7 F4 N O -","- C48 H28 F16 N4 O4 -","4","1","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","Close Amide NH···F Hydrogen Bonding Interactions in 1,8-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00553","","","0.71073","MoKα","","0.0516","0.0388","","","0.0894","0.0973","","","","","","1.099","","","","has coordinates,has disorder","250949","2020-10-21","18:00:00",""
"4038277","10.8642","0.0004","18.7374","0.0009","11.2628","0.0005","90","","117.454","0.002","90","","2034.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O S2 -","- C23 H20 O S2 -","- C92 H80 O4 S8 -","4","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0876","0.0437","","","0.0914","0.1138","","","","","","1.008","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038278","8.2801","0.0003","10.9055","0.0004","11.3166","0.0003","72.0273","0.0013","79.5744","0.0013","77.9792","0.0013","943.19","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 Cl2 O S2 -","- C21 H12 Cl2 O S2 -","- C42 H24 Cl4 O2 S4 -","2","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0446","0.0369","","","0.0884","0.0952","","","","","","1.035","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038279","7.108","0.0004","10.7667","0.0006","18.9286","0.0009","90","","91.471","0.002","90","","1448.12","0.13","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AC5124","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0542","0.0395","","","0.1311","0.1503","","","","","","1.113","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038280","14.0598","0.0019","15.723","0.002","32.139","0.004","90","","91.764","0.005","90","","7101.4","1.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 Cl6 N12 O8 -","- C68 H90 Cl6 N12 O8 -","- C272 H360 Cl24 N48 O32 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0647","0.0403","","","0.0984","0.1145","","","","","","1.026","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038281","29.875","0.01","5.607","0.002","12.349","0.004","90","","101.081","0.013","90","","2030","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O3 -","- C24 H20 N4 O3 -","- C96 H80 N16 O12 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0982","0.0573","","","0.1278","0.1475","","","","","","1.038","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038282","6.0964","0.0002","10.1676","0.0003","19.2632","0.0007","90","","90","","90","","1194.04","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0448","0.0384","","","0.1016","0.1073","","","","","","0.947","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038283","18.9012","0.0013","5.7981","0.0003","26.3242","0.0016","90","","108.07","0.005","90","","2742.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 Br F3 O -","- C15 H8 Br F3 O -","- C120 H64 Br8 F24 O8 -","8","1","","Chen, Guo-Shu; Yan, Xiaoxue; Chen, Shujie; Mao, Xiang-Yu; Li, Zhao-Dong; Liu, Yunlin","Diastereoselective Synthesis of 1,3-Diyne-Tethered Trifluoromethyl-Cyclopropanes through Sulfur Ylides-Mediated Cyclopropanation/ DBU-Mediated Epimerization Sequence.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00162","","","0.71073","MoKα","","0.053","0.0367","","","0.0658","0.0722","","","","","","1.06","","","","has coordinates","250988","2020-10-21","18:00:00",""
"4038284","7.3293","0.0013","14.6561","0.0014","18.0368","0.0011","89.593","0.007","79.654","0.013","86.612","0.012","1902.6","0.4","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 Br F3 N O2 -","- C22 H13 Br F3 N O2 -","- C88 H52 Br4 F12 N4 O8 -","4","2","","Chen, Guo-Shu; Yan, Xiaoxue; Chen, Shujie; Mao, Xiang-Yu; Li, Zhao-Dong; Liu, Yunlin","Diastereoselective Synthesis of 1,3-Diyne-Tethered Trifluoromethyl-Cyclopropanes through Sulfur Ylides-Mediated Cyclopropanation/ DBU-Mediated Epimerization Sequence.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00162","","x-ray","0.71073","MoKα","","0.2049","0.1485","","","0.392","0.4268","","","","","","1.338","","","","has coordinates","250989","2020-10-21","18:00:00",""
"4038285","15.7049","0.0005","12.0661","0.0005","7.702","0.0003","90","","94.888","0.003","90","","1454.2","0.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 B F2 I N3 O S -","- C12 H11 B F2 I N3 O S -","- C48 H44 B4 F8 I4 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0565","0.0473","","","0.1179","0.1286","","","","","","1.068","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038286","15.5882","0.0002","11.6785","0.0002","7.5331","0.0001","90","","94.724","0.001","90","","1366.72","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B F2 N3 O S -","- C13 H14 B F2 N3 O S -","- C52 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.031","0.0302","","","0.0847","0.0855","","","","","","1.063","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038287","18.8716","0.0001","12.5058","0.0001","17.1769","0.0001","90","","110.067","0.001","90","","3807.73","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N3 O3 S2 -","- C18 H16 B F2 N3 O3 S2 -","- C144 H128 B8 F16 N24 O24 S16 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0314","0.0309","","","0.0805","0.081","","","","","","1.06","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038288","12.6493","0.0002","6.2227","0.0001","19.5519","0.0003","90","","107.296","0.002","90","","1469.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F2 N3 O S -","- C14 H16 B F2 N3 O S -","- C56 H64 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0323","0.0314","","","0.0844","0.0852","","","","","","1.053","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038289","14.262","0.0005","8.0464","0.0002","14.6468","0.0005","90","","96.67","0.003","90","","1669.46","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 B F2 N3 O3 S -","- C16 H18 B F2 N3 O3 S -","- C64 H72 B4 F8 N12 O12 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0439","0.0352","","","0.0868","0.0932","","","","","","1.036","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038290","5.68389","0.00006","12.24377","0.00014","33.9789","0.0003","90","","90","","90","","2364.67","0.04","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0377","0.0333","","","0.0772","0.0801","","","","","","1.064","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038291","5.52511","0.00016","16.3905","0.0005","11.8602","0.0003","90","","100.461","0.002","90","","1056.2","0.05","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0331","0.0295","","","0.0657","0.0672","","","","","","1.04","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038292","5.68294","0.00015","34.9964","0.0006","11.1399","0.0003","90","","100.951","0.002","90","","2175.19","0.09","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C112 H88 N8 O8 S4 -","4","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.1154","0.0625","","","0.1013","0.1194","","","","","","1.018","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038293","7.636","0.003","13.042","0.005","14.698","0.005","90","","90.76","0.007","90","","1463.6","0.9","100","2","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0408","0.0335","","","0.0881","0.0931","","","","","","1.066","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038294","7.5111","0.0001","10.0145","0.0001","34.4974","0.0005","90","","90","","90","","2594.89","0.06","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Fe N2 O3 -","- C30 H26 Cl2 Fe N2 O3 -","- C120 H104 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.054","0.0423","","","0.08","0.0837","","","","","","1.07","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038295","13.2186","0.0002","13.2909","0.0002","14.0998","0.0003","90","","96.7465","0.0015","90","","2460","0.07","120","1","120","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cl2 Fe N2 O3 -","- C24 H30 Cl2 Fe N2 O3 -","- C96 H120 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0442","0.0348","","","0.0629","0.0664","","","","","","1.036","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038296","7.5248","0.0002","9.9876","0.0003","34.3832","0.0008","90","","90","","90","","2584.06","0.12","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Co N2 O3 -","- C30 H26 Cl2 Co N2 O3 -","- C120 H104 Cl8 Co4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0831","0.046","","","0.0692","0.0743","","","","","","0.841","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038297","13.5371","0.0002","14.1319","0.0002","28.1192","0.0005","90","","90","","90","","5379.34","0.15","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H34 Cl2 Co N2 O3 -","- C27.5 H34 Cl2 Co N2 O3 -","- C220 H272 Cl16 Co8 N16 O24 -","8","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0494","0.0379","","","0.0851","0.0913","","","","","","1.049","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038298","10.9879","0.0003","56.587","0.0016","21.0107","0.0005","90","","90.025","0.003","90","","13063.9","0.6","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C420 H488 Cl8 Co16 F96 N32 O144 S32 -","16","8","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0911","0.0663","","","0.1515","0.1747","","","","","","1.025","","","","has coordinates,has disorder","251111","2020-10-21","18:00:00",""
"4038299","12.9643","0.0011","15.9039","0.0011","11.6777","0.001","90","","110.485","0.01","90","","2255.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C100 H100 N4 O24 -","4","1","","Zhang, Yuan; Li, Shilin; Zhu, Yin; Yang, Xiaorong; Zhou, Huang; Li, Ying","Visible Light-Induced Oxidative Cross Dehydrogenative Coupling of Glycine Esters with β-Naphthols: Access to 1,3-Benzoxazines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b01440","","","0.71073","MoKα","","0.1281","0.0707","","","0.1701","0.2189","","","","","","1.033","","","","has coordinates","251153","2020-10-21","18:00:00",""
"4038300","9.5029","0.0004","10.3608","0.0005","11.0975","0.0004","99.412","0.004","113.277","0.004","107.356","0.004","907.31","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","2-(1-hydroxyethyl)-1,3-diphenylphosphindole 1-oxide","","- C22 H19 O2 P -","- C22 H19 O2 P -","- C44 H38 O4 P2 -","2","1","","Guo, Jiami; Mao, Chenlu; Deng, Bin; Ye, Liyi; Yin, Yingwu; Gao, Yuxing; Tu, Song","Azobisisobutyronitrile-Initiated Oxidative C-H Functionalization of Simple Alcohols with Diaryl(arylethynyl)phosphine Oxides: A Metal-Free Approach toward Hydroxymethyl Benzo[<i>b</i>]phosphole Oxides and 6<i>H</i>-Indeno[2,1-<i>b</i>]phosphindole 5-Oxide Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00118","","","1.54184","CuKα","","0.0565","0.0491","","","0.1305","0.1509","","","","","","1.087","","","","has coordinates","251155","2020-10-21","18:00:00",""
"4038301","7.6089","0.0002","14.041","0.0003","17.1323","0.0004","90","","93.246","0.002","90","","1827.42","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-chloro-6,6-dimethyl-5-phenyl-6H-indeno[2,1-b]phosphindole 5-oxide","","- C23 H18 Cl O P -","- C23 H18 Cl O P -","- C92 H72 Cl4 O4 P4 -","4","1","","Guo, Jiami; Mao, Chenlu; Deng, Bin; Ye, Liyi; Yin, Yingwu; Gao, Yuxing; Tu, Song","Azobisisobutyronitrile-Initiated Oxidative C-H Functionalization of Simple Alcohols with Diaryl(arylethynyl)phosphine Oxides: A Metal-Free Approach toward Hydroxymethyl Benzo[<i>b</i>]phosphole Oxides and 6<i>H</i>-Indeno[2,1-<i>b</i>]phosphindole 5-Oxide Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00118","","","1.54184","CuKα","","0.0478","0.0408","","","0.1077","0.1158","","","","","","1.055","","","","has coordinates","251156","2020-10-21","18:00:00",""
"4038302","6.3532","0.0008","11.1522","0.0014","11.6114","0.0015","71.654","0.004","88.192","0.004","88.92","0.004","780.45","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","1","1","","Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00396","","","1.54184","CuKα","","0.0788","0.0435","","","0.1074","0.1162","","","","","","1.051","","","","has coordinates,has disorder","251182","2020-10-21","18:00:00",""
"4038303","12.581","0.0005","8.4554","0.0004","25.9438","0.0011","90","","99.729","0.005","90","","2720.1","0.2","293.7","0.3","293.7","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Br Cl3 N O -","- C29 H27 Br Cl3 N O -","- C116 H108 Br4 Cl12 N4 O4 -","4","1","","Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00396","","","0.71073","MoKα","","0.0964","0.0605","","","0.1444","0.1681","","","","","","1.03","","","","has coordinates","251183","2020-10-21","18:00:00",""
"4038304","11.5648","0.0005","12.906","0.0005","17.0405","0.0005","71.639","0.003","88.416","0.003","72.869","0.003","2300.85","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 F N O5 P -","- C23 H27 F N O5 P -","- C92 H108 F4 N4 O20 P4 -","4","2","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.055","0.0389","","","0.0923","0.0988","","","","","","1.028","","","","has coordinates,has disorder","251240","2020-10-21","18:00:00",""
"4038305","12.2516","0.0013","7.1055","0.0005","13.0019","0.0012","90","","115.11","0.012","90","","1024.9","0.19","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0793","0.0537","","","0.1165","0.1279","","","","","","1.032","","","","has coordinates","251241","2020-10-21","18:00:00",""
"4038306","7.7968","0.0004","20.6201","0.0013","15.4863","0.0007","90","","103.667","0.005","90","","2419.2","0.2","150.6","0.9","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N2 O4 P -","- C25 H33 N2 O4 P -","- C100 H132 N8 O16 P4 -","4","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.1292","0.065","","","0.1355","0.1665","","","","","","1.002","","","","has coordinates","251242","2020-10-21","18:00:00",""
"4038307","9.7426","0.0009","6.4084","0.0005","18.2313","0.0014","90","","99.544","0.008","90","","1122.51","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 N2 O4 P -","- C23 H29 N2 O4 P -","- C46 H58 N4 O8 P2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0942","0.066","","","0.1336","0.1512","","","","","","1.006","","","","has coordinates,has disorder","251243","2020-10-21","18:00:00",""
"4038308","10.4076","0.0003","6.5798","0.0002","12.4643","0.0004","90","","100.854","0.001","90","","838.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","1","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic <i>Lycopodium</i> Alkaloids with an Unusual Skeleton from <i>Huperzia serrata</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0336","0.0336","","","0.0848","0.0848","","","","","","1.143","","","","has coordinates","251289","2020-10-21","18:00:00",""
"4038309","24.2918","0.0006","8.047","0.0002","17.8937","0.0005","90","","91.261","0.001","90","","3496.94","0.16","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C136 H224 N16 O24 -","8","2","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic <i>Lycopodium</i> Alkaloids with an Unusual Skeleton from <i>Huperzia serrata</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0374","0.0366","","","0.0966","0.0976","","","","","","1.071","","","","has coordinates","251290","2020-10-21","18:00:00",""
"4038310","10.3827","0.0002","20.2897","0.0004","20.0193","0.0004","90","","103.111","0.002","90","","4107.37","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 Fe N4 O4 P -","- C45 H53 Fe N4 O4 P -","- C180 H212 Fe4 N16 O16 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0535","0.0411","","","0.1048","0.112","","","","","","1.045","","","","has coordinates","251321","2020-10-21","18:00:00",""
"4038311","10.7593","0.0001","19.627","0.0003","18.6896","0.0002","90","","92.421","0.001","90","","3943.21","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Fe N2 O4 P -","- C44 H47 Fe N2 O4 P -","- C176 H188 Fe4 N8 O16 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0381","0.0327","","","0.0834","0.0864","","","","","","1.037","","","","has coordinates","251322","2020-10-21","18:00:00",""
"4038312","11.2047","0.0002","16.3187","0.0003","21.2446","0.0004","90","","90.3635","0.0016","90","","3884.41","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 Cl2 N2 P -","- C43 H53 Cl2 N2 P -","- C172 H212 Cl8 N8 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0555","0.0441","","","0.113","0.1199","","","","","","1.04","","","","has coordinates,has disorder","251323","2020-10-21","18:00:00",""
"4038313","13.9604","0.0003","11.1296","0.0002","11.0998","0.0002","90","","90","","90","","1724.62","0.06","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Horwitz, Matthew A.; Robins, Jacob G.; Johnson, Jeffrey S.","De Novo Synthesis of the DEF-Ring Stereotriad Core of the Veratrum Alkaloids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00685","","","1.54178","CuKα","","0.0558","0.0482","","0.1211","0.1158","0.1211","","","","","","1.0092","","","","has coordinates","251324","2020-10-21","18:00:00",""
"4038314","8.365","0.005","12.146","0.007","12.735","0.008","90","","98.233","0.009","90","","1280.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0581","0.042","","","0.1222","0.1368","","","","","","0.978","","","","has coordinates","251325","2020-10-21","18:00:00",""
"4038315","11.7435","0.0016","22.987","0.003","11.0387","0.0018","90","","113.721","0.006","90","","2728.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 F2 N O -","- C17 H15 F2 N O -","- C136 H120 F16 N8 O8 -","8","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0461","0.04","","","0.1372","0.1435","","","","","","1.202","","","","has coordinates","251326","2020-10-21","18:00:00",""
"4038316","8.892","0.003","10.123","0.003","15.21","0.005","90","","94.753","0.004","90","","1364.4","0.8","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O -","- C17 H16 F N O -","- C68 H64 F4 N4 O4 -","4","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0469","0.0405","","","0.1399","0.146","","","","","","1.231","","","","has coordinates","251327","2020-10-21","18:00:00",""
"4038317","11.5651","0.0006","20.5701","0.0011","12.4399","0.0007","90","","95.914","0.005","90","","2943.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O2 -","- C33 H37 N3 O2 -","- C132 H148 N12 O8 -","4","1","","Chen, Dianpeng; Yang, Min; Li, Jianming; Cui, Peiying; Su, Lei; Shan, Yingying; You, Jinmao; Rojsitthisak, Pornchai; Liu, Jin-Biao; Qiu, Guanyinsheng","Palladium-Catalyzed Cycloaddition of Alkynylimines, Double Isocyanides, and H2O/KOAc.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00323","","","0.71073","MoKα","","0.0894","0.0579","","","0.1475","0.1681","","","","","","1.033","","","","has coordinates","251328","2020-10-21","18:00:00",""
"4038318","8.8293","0.0005","25.4599","0.0014","10.8562","0.0007","90","","98.026","0.006","90","","2416.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N3 O2 -","- C26 H33 N3 O2 -","- C104 H132 N12 O8 -","4","1","","Chen, Dianpeng; Yang, Min; Li, Jianming; Cui, Peiying; Su, Lei; Shan, Yingying; You, Jinmao; Rojsitthisak, Pornchai; Liu, Jin-Biao; Qiu, Guanyinsheng","Palladium-Catalyzed Cycloaddition of Alkynylimines, Double Isocyanides, and H2O/KOAc.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00323","","","0.71073","MoKα","","0.0906","0.0584","","","0.1371","0.1579","","","","","","1.021","","","","has coordinates","251329","2020-10-21","18:00:00",""
"4038319","24.002","0.003","11.4379","0.0017","18.394","0.003","90","","103.496","0.005","90","","4910.3","1.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N2 O4 -","- C29 H24 N2 O4 -","- C232 H192 N16 O32 -","8","1","","Vannada, Jagadeshwar; Sulthan, Mahesh; Arun, Doma; Dada, Ravikrishna; Yaragorla, Srinivasarao","Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3+2] Cyclisation of C-acylimines with Activated-Alkynes and Aromatic Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00712","","","0.71073","MoKα","","0.066","0.0501","","","0.1292","0.14","","","","","","1.066","","","","has coordinates","251381","2020-10-21","18:00:00",""
"4038320","12.078","0.0019","21.49","0.003","12.2066","0.0018","90","","117.223","0.005","90","","2817.4","0.7","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","naphthalyl pyrrole","","","- C33 H27 Cl N O5 -","- C33 H27 Cl N O5 -","- C132 H108 Cl4 N4 O20 -","4","1","","Vannada, Jagadeshwar; Sulthan, Mahesh; Arun, Doma; Dada, Ravikrishna; Yaragorla, Srinivasarao","Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3+2] Cyclisation of C-acylimines with Activated-Alkynes and Aromatic Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00712","","","0.71073","MoKα","","0.0679","0.0589","","","0.1695","0.1766","","","","","","1.051","","","","has coordinates","251382","2020-10-21","18:00:00",""
"4038321","7.976","0.003","11.054","0.004","22.319","0.007","79.904","0.009","80.498","0.01","82.348","0.009","1899.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H94 N10 S4 -","- C95 H94 N10 S4 -","- C95 H94 N10 S4 -","1","0.5","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","","0.71073","MoKα","","0.0785","0.0632","","","0.1567","0.1678","","","","","","1.113","","","","has coordinates,has disorder","251412","2020-10-21","18:00:00",""
"4038322","7.643","0.0005","8.3737","0.0005","18.759","0.0012","77.4125","0.0019","86.99","0.002","72.2796","0.0018","1116","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C48 H64 N8 S4 -","2","1","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","x-ray","0.71073","MoKα","","0.0441","0.0402","","","0.1121","0.1156","","","","","","1.057","","","","has coordinates","251414","2020-10-21","18:00:00",""
"4038323","6.2425","0.0003","13.6804","0.0005","22.8237","0.001","87.472","0.002","85.615","0.002","85.855","0.002","1936.89","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Br2 Cl3 N4 S2 -","- C39 H37 Br2 Cl3 N4 S2 -","- C78 H74 Br4 Cl6 N8 S4 -","2","1","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","","0.71073","MoKα","","0.0306","0.0239","","","0.0524","0.0548","","","","","","1.034","","","","has coordinates,has disorder","251415","2020-10-21","18:00:00",""
"4038324","15.1325","0.0013","12.4","0.0011","9.4338","0.0008","90","","90.8433","0.0012","90","","1770","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Ueda, Jun-Ichi; Enomoto, Yuuki; Seki, Mizuki; Konishi, Takuma; Ogasawara, Masamichi; Yoshida, Kazuhiro","Oxidative Cyclization of <i>o</i>-(1-Hydroxy-2-alkynyl)-<i>N</i>-tosylanilides for Synthesis of 4-Quinolones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00245","","","0.71073","MoKα","","0.058","0.0433","","","0.0997","0.109","","","","","","1.034","","","","has coordinates","251508","2020-10-21","18:00:00",""
"4038325","16.4905","0.001","12.0256","0.0007","9.3656","0.0006","90","","98.8943","0.0007","90","","1834.94","0.19","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Ueda, Jun-Ichi; Enomoto, Yuuki; Seki, Mizuki; Konishi, Takuma; Ogasawara, Masamichi; Yoshida, Kazuhiro","Oxidative Cyclization of <i>o</i>-(1-Hydroxy-2-alkynyl)-<i>N</i>-tosylanilides for Synthesis of 4-Quinolones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00245","","","0.71073","MoKα","","0.0461","0.0381","","","0.1004","0.1056","","","","","","1.047","","","","has coordinates","251509","2020-10-21","18:00:00",""
"4038326","14.5879","0.0004","10.2102","0.0003","23.8219","0.0007","90","","106.882","0.002","90","","3395.25","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O7 -","- C34 H42 N4 O7 -","- C136 H168 N16 O28 -","4","2","","Nguyen, Khiem Chau; Wang, Pengzhi; Sommer, Roger D.; Lindsey, Jonathan S.","Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing <i>trans</i>-Dialkyl Substituents in Ring D.","The Journal of organic chemistry","2020","85","10","6605","6619","10.1021/acs.joc.0c00608","","","1.54178","CuKα","","0.0631","0.0483","","","0.1224","0.1326","","","","","","1.025","","","","has coordinates,has disorder","252622","2020-10-21","18:00:00",""
"4038327","6.0732","0.0013","11.111","0.002","29.291","0.006","90","","90","","90","","1976.5","0.7","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-fluoro-2,3-diphenylpent-4-en-2-yl 4-nitrobenzoate","","- C24 H20 F N O4 -","- C24 H20 F N O4 -","- C96 H80 F4 N4 O16 -","4","1","","Novikov, Maxim A.; Bobrova, Angelina; Mezentsev, Igor; Medvedev, Michael G.; Tomilov, Yury V.","(2-Fluoroallyl)boration of ketones with (2-fluoroallyl)boronates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03445","","","0.71073","MoKα","","0.1135","0.0554","","","0.1004","0.1233","","","","","","0.979","","","","has coordinates","251782","2020-10-21","18:00:00",""
"4038328","16.4039","0.0016","7.632","0.0008","32.433","0.003","90","","90","","90","","4060.4","0.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19.5 H20 I2 N2 O2 -","- C19.5 H20 I2 N2 O2 -","- C156 H160 I16 N16 O16 -","8","2","","Bell, Abbegail C.; Boomsma, Alex B.; Flikweert, Niecia E.; Hohlman, Robert M.; Zhang, Shiyuan; Blankespoor, Ronald L.; Biros, Shannon M.; Staples, Richard J.; Brickner, Steven J.; Barbachyn, Michael Robert","The Synthesis of Functionalized 3-Aryl- and 3-Heteroaryloxazolidin-2-ones and Tetrahydro-3-Aryl-1,3-oxazin-2-ones via the Iodocyclocarbamation Reaction. Access to Privileged Chemical Structures and Scope and Limitations of the Method.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03400","","","0.71073","MoKα","","0.066","0.0604","","","0.1452","0.1488","","","","","","1.174","","","","has coordinates,has disorder","251783","2020-10-21","18:00:00",""
"4038329","5.4777","0.0001","8.3194","0.0002","25.6879","0.0005","90","","90","","90","","1170.63","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Deactivation of Secondary Amine Catalysts via Aldol Reaction-Amine Catalysis under Solvent-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00665","","x-ray","1.54184","CuKα","","0.0352","0.0335","","","0.0834","0.0844","","","","","","1.077","","","","has coordinates","251819","2020-10-21","18:00:00",""
"4038330","10.4303","0.0006","11.5237","0.0006","23.1881","0.0012","90","","90","","90","","2787.1","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Chen, Yu; Xue, Qing; Teng, Haida; Qin, Rui; Liu, Hong; Xu, Jing; Mei, Zhinan; Yang, Guangzhong","Acylphloroglucinol Derivatives with Tricyclo-[4.4.1.11,4] Dodecane Skeleton from Garcinia bracteata Fruits.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00637","","","1.54178","CuKα","","0.0345","0.0325","","","0.0779","0.0794","","","","","","1.041","","","","has coordinates","251820","2020-10-21","18:00:00",""
"4038331","7.1326","0.0009","15.291","0.002","8.2001","0.0012","90","","99.936","0.004","90","","880.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","","Chen, Chien-Tien; Maity, Nabin Ch; Agarwal, Rachit; Lai, Chien-Fu; Liao, Yiya; Yu, Wei-Ru","Chiral Vanadyl(V) Complexes Enable Efficient Asymmetric Reduction of β-Ketoamides: Application toward (<i>S</i>)-Duloxetine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00221","","","0.71073","MoKα","","0.0351","0.0325","","","0.0875","0.0896","","","","","","1.077","","","","has coordinates","251821","2020-10-21","18:00:00",""
"4038332","11.349","0.0013","18.809","0.002","16.489","0.002","90","","94.802","0.002","90","","3507.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Cl2 O2 P2 Zn -","- C39 H32 Cl2 O2 P2 Zn -","- C156 H128 Cl8 O8 P8 Zn4 -","4","1","","Zhao, LuLu; Dong, Yanan; Xia, Qiangqiang; Bai, Jian-Fei; Li, Yuehui","Zn-Catalyzed Cyanation of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00269","","","0.71073","MoKα","","0.0622","0.048","","","0.1345","0.1477","","","","","","1.003","","","","has coordinates","251822","2020-10-21","18:00:00",""
"4038333","18.426","0.005","5.74","0.005","24.343","0.005","90","0.005","105.005","0.005","90","0.005","2487","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C112 H116 N4 O20 -","4","1","","Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal","Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00531","","","0.71073","MoKα","","0.228","0.0892","","","0.2249","0.3043","","","","","","1.022","","","","has coordinates","251865","2020-10-21","18:00:00",""
"4038334","62.025","0.004","5.3766","0.0003","8.2455","0.0005","90","","92.464","0.002","90","","2747.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal","Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00531","","","0.71073","MoKα","","0.0757","0.0576","","","0.1225","0.1326","","","","","","1.084","","","","has coordinates","251866","2020-10-21","18:00:00",""
"4038335","10.9495","0.0013","10.4491","0.001","17.3052","0.0017","90","","94.99","0.011","90","","1972.4","0.4","286","4","286","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Cheng, Bin; Li, Yuntong; Wang, Taimin; Zhang, Xinping; Li, Hui; He, YiXuan; Li, Yun; Zhai, Hongbin","Application of Pyridinium 1,4-Zwitterionic Thiolates: Synthesis of Benzopyridothiazepines and Benzothiophenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00374","","","0.71073","MoKα","","0.1104","0.0618","","","0.1222","0.1582","","","","","","1.041","","","","has coordinates","251867","2020-10-21","18:00:00",""
"4038336","10.384","0.008","10.986","0.008","19.425","0.014","102.72","0.02","92.22","0.04","109.91","0.03","2017","3","293","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N2 O5 -","- C50 H48 N2 O5 -","- C100 H96 N4 O10 -","2","1","","Schmidt, Elena Yu; Tatarinova, Inna V.; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Oxaazabicyclooctene Oxides, Another Type of Bridgehead Nitrones: Diastereoselective Assembly from Acetylene gas, Ketones and Hydroxyl Amine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00742","","","0.71073","MoKα","","0.1074","0.0539","","","0.1121","0.1309","","","","","","1.06","","","","has coordinates","251868","2020-10-21","18:00:00",""
"4038337","8.234","0.0002","12.4121","0.0004","16.2533","0.0005","90","","90","","90","","1661.11","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O -","- C20 H27 N O -","- C80 H108 N4 O4 -","4","1","","Taeufer, Tobias; Pospech, Jola","Palladium-Catalyzed Synthesis of <i>N</i>,<i>N-</i>Dimethylanilines via Buchwald-Hartwig Amination of (Hetero)aryl Triflates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00491","","","1.54178","CuKα","","0.0453","0.0442","","","0.1217","0.1234","","","","","","1.052","","","","has coordinates","251933","2020-10-21","18:00:00",""
"4038338","12.061","0.002","28.652","0.005","16.333","0.003","90","","102.425","0.002","90","","5512","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C240 H228 N12 O72 -","12","3","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","0.71073","MoKα","","0.0554","0.0474","","","0.1204","0.1269","","","","","","1.123","","","","has coordinates,has disorder","251955","2020-10-21","18:00:00",""
"4038339","13.342","0.002","9.109","0.002","15.058","0.003","90","","116.028","0.002","90","","1644.4","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O7 -","- C16 H19 N O7 -","- C64 H76 N4 O28 -","4","1","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","0.71073","MoKα","","0.0408","0.0388","","","0.0927","0.094","","","","","","1.167","","","","has coordinates","251956","2020-10-21","18:00:00",""
"4038340","6.8579","0.0004","24.7186","0.0016","7.8064","0.0005","90","","99.07","0.003","90","","1306.78","0.14","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","1.54178","CuKα","","0.0335","0.0328","","","0.0865","0.0875","","","","","","1.052","","","","has coordinates","251957","2020-10-21","18:00:00",""
"4038341","9.4118","0.0012","10.1482","0.0014","11.4542","0.0015","112.346","0.003","101.577","0.003","106.514","0.003","909.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N6 O -","- C23 H16 N6 O -","- C46 H32 N12 O2 -","2","1","","Tsyrenova, Biligma; Khrustalev, Victor N.; Nenajdenko, Valentine Georgievich","2H-bis-1,2,3-triazolo-isoquinoline. Design, synthesis and photophysical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00263","","","0.71073","MoKα","","0.1202","0.0792","","","0.1899","0.2167","","","","","","1.053","","","","has coordinates","251986","2020-10-21","18:00:00",""
"4038342","9.4834","0.0008","10.9838","0.0009","26.644","0.002","90","","98.619","0.003","90","","2744","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N3 O2 -","- C34 H31 N3 O2 -","- C136 H124 N12 O8 -","4","1","","Tripathi, Shashank; Ambule, Mayur Diliprao; Srivastava, Ajay Kumar","Construction of Highly Functionalized Piperazinones <i>via</i> post-Ugi Cyclization and Diastereoselective Nucleophilic Addition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00108","","","0.71073","MoKα","","0.1018","0.0519","","","0.1461","0.1791","","","","","","1.089","","","","has coordinates","251987","2020-10-21","18:00:00",""
"4038343","16.0762","0.0007","4.1491","0.0002","23.3019","0.0011","90","","95.784","0.002","90","","1546.36","0.12","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bromomethyl chlorobenzo selenophen chlorophenyl methanone","(3-(bromomethyl)-6-chlorobenzo[b]selenophen-2-yl)(4-chlorophenyl)methanone","","- C16 H9 Br Cl2 O Se -","- C16 H9 Br Cl2 O Se -","- C64 H36 Br4 Cl8 O4 Se4 -","4","1","","Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson","Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00741","","","0.71073","MoKα","","0.0752","0.0561","","","0.1659","0.1758","","","","","","1.089","","","","has coordinates","251988","2020-10-21","18:00:00",""
"4038344","7.0078","0.0004","9.6334","0.0006","13.8589","0.0008","110.327","0.002","92.316","0.002","96.373","0.002","868.78","0.09","127","2","127","2","","","","","","","","3","P -1","-P 1","2","methylene phenyl phenylselanyl selenochromene","4-methylene-2-phenyl-3-(phenylselanyl)-4H-selenochromene","","- C22 H16 Se2 -","- C22 H16 Se2 -","- C44 H32 Se4 -","2","1","","Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson","Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00741","","","0.71073","MoKα","","0.0268","0.0225","","","0.0535","0.0551","","","","","","1.056","","","","has coordinates","251989","2020-10-21","18:00:00",""
"4038345","10.9761","0.0008","11.2566","0.0008","17.267","0.0013","90","","98.209","0.002","90","","2111.5","0.3","273.15","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C96 H100 N4 O16 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0914","0.0489","","","0.105","0.121","","","","","","1.03","","","","has coordinates,has disorder","251990","2020-10-21","18:00:00",""
"4038346","15.0965","0.0009","12.1682","0.0007","21.8118","0.0012","90","","94.212","0.002","90","","3995.9","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 N4 O6 S2 -","- C37 H40 N4 O6 S2 -","- C148 H160 N16 O24 S8 -","4","0.5","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0586","0.0385","","","0.0995","0.1092","","","","","","1.027","","","","has coordinates","251991","2020-10-21","18:00:00",""
"4038347","12.7711","0.0008","11.491","0.0007","16.0665","0.001","90","","101.628","0.002","90","","2309.4","0.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Br N2 O3 S -","- C23 H29 Br N2 O3 S -","- C92 H116 Br4 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.045","0.0306","","","0.0798","0.0844","","","","","","1.051","","","","has coordinates","251992","2020-10-21","18:00:00",""
"4038348","5.9218","0.0006","21.635","0.002","17.5661","0.0016","90","","98.815","0.004","90","","2224","0.4","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl N2 O3 S -","- C23 H27 Cl N2 O3 S -","- C92 H108 Cl4 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0656","0.0397","","","0.0915","0.1014","","","","","","1.027","","","","has coordinates","251993","2020-10-21","18:00:00",""
"4038349","10.5538","0.0007","21.7626","0.0014","10.9319","0.0007","90","","116.908","0.002","90","","2239","0.3","273.15","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O3 S -","- C24 H30 N2 O3 S -","- C96 H120 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0572","0.0399","","","0.1014","0.1099","","","","","","1.039","","","","has coordinates","251994","2020-10-21","18:00:00",""
"4038350","8.904","0.0005","11.4226","0.0007","11.9517","0.0007","81.001","0.002","89.408","0.002","77.106","0.002","1169.95","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Br Cl N2 O4 S -","- C25 H22 Br Cl N2 O4 S -","- C50 H44 Br2 Cl2 N4 O8 S2 -","2","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0563","0.0374","","","0.0955","0.1019","","","","","","1.063","","","","has coordinates","251995","2020-10-21","18:00:00",""
"4038351","11.8945","0.0009","21.4091","0.0015","28.158","0.002","90","","96.41","0.003","90","","7125.6","0.9","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.32 H41.26 N4 O6.32 S2 -","- C37.3165 H41.266 N4 O6.3165 S2 -","- C298.532 H330.128 N32 O50.532 S16 -","8","2","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0717","0.0522","","","0.1222","0.1309","","","","","","1.102","","","","has coordinates,has disorder","251996","2020-10-21","18:00:00",""
"4038352","5.9971","0.0002","19.0997","0.0008","20.3305","0.0008","69.0014","0.0014","87.1419","0.0016","87.6311","0.0016","2170.67","0.15","273.15","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O3 S2 -","- C24 H25 N O3 S2 -","- C96 H100 N4 O12 S8 -","4","2","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0621","0.0386","","","0.0934","0.1009","","","","","","1.05","","","","has coordinates","251997","2020-10-21","18:00:00",""
"4038353","9.0972","0.0004","10.3026","0.0004","16.9599","0.0007","90","","93.482","0.002","90","","1586.63","0.11","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0614","0.0371","","","0.087","0.0958","","","","","","1.056","","","","has coordinates","251998","2020-10-21","18:00:00",""
"4038354","15.4987","0.0008","11.7051","0.0006","21.9098","0.0011","90","","90.544","0.002","90","","3974.6","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 O4 S -","- C20 H24 N2 O4 S -","- C160 H192 N16 O32 S8 -","8","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.059","0.0419","","","0.0953","0.1041","","","","","","1.022","","","","has coordinates,has disorder","251999","2020-10-21","18:00:00",""
"4038355","10.5408","0.0007","11.4873","0.0007","19.3042","0.0013","90","","102.914","0.002","90","","2278.3","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O3 S -","- C25 H32 N2 O3 S -","- C100 H128 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0591","0.0396","","","0.097","0.1044","","","","","","1.038","","","","has coordinates","252000","2020-10-21","18:00:00",""
"4038356","11.2212","0.0002","11.8966","0.0002","14.6501","0.0002","90","","90","","90","","1955.7","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 Cl5 N2 Pd -","- C15 H27 Cl5 N2 Pd -","- C60 H108 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.0204","0.0182","","","0.0375","0.0381","","","","","","1.036","","","","has coordinates","252026","2020-10-21","18:00:00",""
"4038357","8.3932","0.0003","13.9575","0.0004","17.1315","0.0005","90","","101.894","0.002","90","","1963.84","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H54 Cl10 N4 Pd2 -","- C30 H54 Cl10 N4 Pd2 -","- C60 H108 Cl20 N8 Pd4 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.033","0.0268","","","0.0539","0.0556","","","","","","1.054","","","","has coordinates","252027","2020-10-21","18:00:00",""
"4038358","17.7611","0.0012","6.7132","0.0004","21.4546","0.0014","90","","108.886","0.002","90","","2420.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N7 O11 -","- C22 H23 N7 O11 -","- C88 H92 N28 O44 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.0664","0.0545","","","0.1456","0.1561","","","","","","1.031","","","","has coordinates","252028","2020-10-21","18:00:00",""
"4038359","16.5022","0.0018","10.2548","0.0011","17.2164","0.0017","90","","104.336","0.004","90","","2822.8","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H108 Li8 N4 O4 -","- C46 H108 Li8 N4 O4 -","- C92 H216 Li16 N8 O8 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.049","0.0415","","","0.104","0.1078","","","","","","1.04","","","","has coordinates,has disorder","252029","2020-10-21","18:00:00",""
"4038360","13.6817","0.0004","7.8188","0.0002","16.3276","0.0005","90","","90","","90","","1746.64","0.09","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H23 Cl5 N2 Pd -","- C12 H23 Cl5 N2 Pd -","- C48 H92 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.02","0.0183","","","0.0394","0.0399","","","","","","1.105","","","","has coordinates","252030","2020-10-21","18:00:00",""
"4038361","26.7679","0.0003","10.09187","0.00012","28.899","0.0003","90","","92.1046","0.0009","90","","7801.46","0.15","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 Ni O P2 Si -","- C40 H64 Ni O P2 Si -","- C320 H512 Ni8 O8 P16 Si8 -","8","1","","Nakatani, Syun; Ito, Yuri; Sakurai, Shun; Kodama, Takuya; Tobisu, Mamoru","Nickel-Catalyzed Decarbonylation of Acylsilanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00772","","x-ray","1.54184","CuKα","","0.0371","0.0329","","","0.0893","0.092","","","","","","1.051","","","","has coordinates","252031","2020-10-21","18:00:00",""
"4038362","16.643","0.003","21.249","0.004","14.381","0.003","90","","90","","90","","5085.8","1.7","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H22 N2 O2 Se2 -","- C30 H22 N2 O2 Se2 -","- C240 H176 N16 O16 Se16 -","8","1","","Liu, Zhengfen; Jiang, Yonggang; Liu, Chunxiang; Zhang, Linlin; Wang, Jing; Li, Tiantian; Zhang, Hongbin; Li, Minyan; Yang, Xiaodong","Metal-free Synthesis of Phenol-Aryl Selenides via Dehydrogenative C-Se Coupling of Aryl Selenoxides with Phenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00792","","","0.71073","MoKα","","0.0893","0.041","","","0.0692","0.0861","","","","","","0.994","","","","has coordinates","252058","2020-10-21","18:00:00",""
"4038363","19.113","0.005","17.823","0.005","19.861","0.006","90","","100.954","0.015","90","","6642","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCZ696-FILIPPA9-087-PHCH3","","","- C64 H92 Cl4 Mg4 O13 -","- C64 H92 Cl4 Mg4 O13 -","- C256 H368 Cl16 Mg16 O52 -","4","1","","Gu, Xingxian; Zhao, Jibin; Chen, Like; Li, Yunzhong; Yu, Bo; Tian, Xiangguang; Min, Zhongcheng; Xu, Su; Gu, Huijuan; Sun, Junjie; Lu, Xiaoquan; Chang, Meng; Wang, Xufan; Zhao, Liqun; Ye, Shengqing; Yang, Hongwei; Tian, Yingtao; Gao, Feng; Gai, Yu; Jia, Guanghua; Wu, Jingjing; Wang, Yan; Zhang, Jianghua; Zhang, Xuesong; Liu, Weichun; Gu, Xin; Luo, Xi; Dong, Hai; Wang, Huaimin; Schenkel, Berthold; Venturoni, Francesco; Filipponi, Paolo; Guelat, Bertrand; Allmendinger, Thomas; Wietfeld, Bernhard; Hoehn, Pascale; Kovacic, Nikola; Hermann, Luca; Schlama, Thierry; Ruch, Thomas; Derrien, Nadine; Piechon, Philippe; Kleinbeck, Florian","Application of Transition-Metal Catalysis, Biocatalysis, and Flow Chemistry as State-of-the-Art Technologies in the Synthesis of LCZ696.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00473","","","1.54178","CuKα","","0.0824","0.0491","","","0.1078","0.1237","","","","","","1.009","","","","has coordinates,has disorder","252107","2020-10-21","18:00:00",""
"4038364","13.34132","0.00011","11.57043","0.00008","16.78264","0.00015","90","","112.395","0.001","90","","2395.26","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F3 N6 O3 P S -","- C21 H22 F3 N6 O3 P S -","- C84 H88 F12 N24 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0291","0.0285","","","0.0754","0.0759","","","","","","1.02","","","","has coordinates,has disorder","252108","2020-10-21","18:00:00",""
"4038365","12.7884","0.0005","5.86021","0.00018","21.1423","0.0009","90","","107.479","0.004","90","","1511.3","0.1","100","0.4","100","0.4","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl2 F3 N2 O3 P S -","- C11 H8 Cl2 F3 N2 O3 P S -","- C44 H32 Cl8 F12 N8 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.1047","0.1052","","","","","","1.129","","","","has coordinates","252109","2020-10-21","18:00:00",""
"4038366","8.9698","0.0002","9.62662","0.00019","11.5862","0.00018","93.2154","0.0014","102.334","0.0017","90.6727","0.0019","975.54","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H11 F3 N3 O3 P S3 -","- C17 H11 F3 N3 O3 P S3 -","- C34 H22 F6 N6 O6 P2 S6 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.103","0.1051","","","","","","1.042","","","","has coordinates","252110","2020-10-21","18:00:00",""
"4038367","8.73091","0.00008","7.86576","0.00005","11.09899","0.00009","90","","110.593","0.001","90","","713.521","0.011","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C11 H8 F7 N2 O3 P S -","- C11 H8 F7 N2 O3 P S -","- C22 H16 F14 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.023","0.023","","","0.0634","0.0634","","","","","","1.085","","","","has coordinates","252111","2020-10-21","18:00:00",""
"4038368","17.552","0.0002","8.75829","0.00009","16.02248","0.00019","90","","113.469","0.0014","90","","2259.3","0.05","99.99","0.17","99.99","0.17","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H16 F3 N2 O3 P S -","- C27 H16 F3 N2 O3 P S -","- C108 H64 F12 N8 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0402","0.04","","","0.1091","0.1092","","","","","","1.092","","","","has coordinates","252112","2020-10-21","18:00:00",""
"4038369","13.827","0.0002","13.9544","0.0003","20.1132","0.0003","73.762","0.002","72.102","0.001","78.218","0.002","3515.84","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 F3 N6 O3.5 P S -","- C31 H43 F3 N6 O3.5 P S -","- C124 H172 F12 N24 O14 P4 S4 -","4","2","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0635","0.0609","","","0.1638","0.1668","","","","","","1.024","","","","has coordinates,has disorder","252113","2020-10-21","18:00:00",""
"4038370","7.0876","0.0003","12.8437","0.0004","13.035","0.0004","116.376","0.003","101.678","0.003","96.308","0.003","1013.7","0.07","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 F3 N3 O3 P S -","- C21 H15 F3 N3 O3 P S -","- C42 H30 F6 N6 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.043","0.0413","","","0.1124","0.1148","","","","","","1.035","","","","has coordinates","252114","2020-10-21","18:00:00",""
"4038371","9.33396","0.00012","8.28139","0.0001","11.25557","0.00014","90","","109.401","0.0014","90","","820.629","0.019","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C11 H8 Cl4 F3 N2 O3 P S -","- C11 H8 Cl4 F3 N2 O3 P S -","- C22 H16 Cl8 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0246","0.0246","","","0.0587","0.0587","","","","","","1.092","","","","has coordinates,has disorder","252115","2020-10-21","18:00:00",""
"4038372","6.71538","0.00017","6.98592","0.00018","10.6276","0.0002","91.2912","0.0019","107.15","0.002","108.239","0.002","448.83","0.02","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H4 Cl2 N P S -","- C7 H4 Cl2 N P S -","- C14 H8 Cl4 N2 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0229","0.0223","","","0.0608","0.0612","","","","","","1.074","","","","has coordinates","252116","2020-10-21","18:00:00",""
"4038373","8.62852","0.00012","13.86704","0.00018","9.96682","0.00011","90","","93.9632","0.0012","90","","1189.7","0.03","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl2 N P -","- C13 H8 Cl2 N P -","- C52 H32 Cl8 N4 P4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.024","0.0232","","","0.0626","0.0634","","","","","","1.04","","","","has coordinates","252117","2020-10-21","18:00:00",""
"4038374","12.4333","0.0005","5.84986","0.00019","14.1072","0.0005","90","","109.657","0.004","90","","966.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl2 N P -","- C9 H6 Cl2 N P -","- C36 H24 Cl8 N4 P4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0633","0.0625","","","0.1577","0.1596","","","","","","1.086","","","","has coordinates","252118","2020-10-21","18:00:00",""
"4038375","7.2241","0.0005","9.0577","0.0007","10.9162","0.0008","95.055","0.003","99.126","0.003","109.45","0.003","657.34","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 F3 N2 O3 P S -","- C11 H8 F3 N2 O3 P S -","- C22 H16 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","","0.71073","MoKα","","0.0406","0.034","","","0.0875","0.0915","","","","","","1.044","","","","has coordinates","252119","2020-10-21","18:00:00",""
"4038376","17.327","0.00013","12.54811","0.0001","19.52034","0.00014","90","","99.518","0.0007","90","","4185.71","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 F3 N6 O4 P S -","- C37 H56 F3 N6 O4 P S -","- C148 H224 F12 N24 O16 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0439","0.0407","","","0.111","0.1148","","","","","","1.053","","","","has coordinates","252120","2020-10-21","18:00:00",""
"4038377","30.88","0.0003","7.96591","0.00007","29.4064","0.0003","90","","110.09","0.001","90","","6793.45","0.12","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H21.13 F9 N6 O9 P S3 -","- C26.999 H21.13 F9 N5.9995 O9 P S3 -","- C215.992 H169.04 F72 N47.996 O72 P8 S24 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.071","0.0697","","","0.1846","0.1857","","","","","","1.043","","","","has coordinates,has disorder","252121","2020-10-21","18:00:00",""
"4038378","8.79642","0.0001","19.3254","0.0002","42.267","0.0006","90","","90","","90","","7185.15","0.15","99.99","0.18","99.99","0.18","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 F3 N6 O3 P S -","- C41 H30 F3 N6 O3 P S -","- C328 H240 F24 N48 O24 P8 S8 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0485","0.0451","","","0.1107","0.1131","","","","","","1.11","","","","has coordinates","252122","2020-10-21","18:00:00",""
"4038379","10.0533","0.0005","10.1641","0.0006","10.8552","0.0006","63.909","0.002","72.068","0.002","64.666","0.002","890.53","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0516","0.0408","","","0.1046","0.1126","","","","","","1.066","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038380","7.9278","0.001","8.4094","0.001","15.9103","0.0019","81.239","0.006","78.859","0.006","75.503","0.006","1001.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O5 S -","- C23 H22 O5 S -","- C46 H44 O10 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0397","0.0354","","","0.092","0.0952","","","","","","1.061","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038381","8.5546","0.0002","9.0687","0.0002","9.976","0.0002","85.885","0.001","73.753","0.001","86.552","0.001","740.46","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C34 H32 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0348","0.0312","","","0.0833","0.086","","","","","","1.059","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038382","9.0626","0.0002","9.7391","0.0002","11.0422","0.0002","74.248","0.001","73.079","0.001","84.706","0.001","897.3","0.03","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C44 H34 F2 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0429","0.0351","","","0.0973","0.104","","","","","","1.09","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038383","9.4622","0.0006","9.7507","0.0006","13.1691","0.001","98.226","0.003","101.267","0.003","117.085","0.003","1022.78","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O5 S -","- C24 H22 O5 S -","- C48 H44 O10 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0724","0.0617","","","0.1574","0.1696","","","","","","1.163","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038384","12.1394","0.0008","12.8311","0.0009","16.4085","0.0012","107.146","0.003","97.16","0.003","95.193","0.003","2401.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O6 S -","- C24 H22 O6 S -","- C96 H88 O24 S4 -","4","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.103","0.0669","","","0.1621","0.1813","","","","","","1.079","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038385","8.1007","0.0008","25.249","0.003","11.9527","0.0011","90","","104.451","0.005","90","","2367.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O7 S -","- C26 H26 O7 S -","- C104 H104 O28 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0418","0.0345","","","0.0824","0.0867","","","","","","1.055","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038386","19.3636","0.0003","13.1724","0.0002","14.6482","0.0003","90","","96.835","0.001","90","","3709.69","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O7 S -","- C20 H22 O7 S -","- C160 H176 O56 S8 -","8","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0395","0.0329","","","0.0877","0.0921","","","","","","1.035","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038387","8.6178","0.0007","9.0183","0.0007","9.6399","0.0008","79.873","0.004","75.377","0.004","85.646","0.004","713.24","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O4 S2 -","- C15 H14 O4 S2 -","- C30 H28 O8 S4 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.036","0.0321","","","0.0793","0.0824","","","","","","1.04","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038388","10.592","0.004","10.873","0.005","11.134","0.004","100.081","0.013","94.108","0.013","96.439","0.012","1249","0.9","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O4 -","- C32 H32 O4 -","- C64 H64 O8 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.1193","0.0837","","","0.2196","0.2436","","","","","","1.065","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038389","11.0688","0.0009","14.9195","0.0013","7.8135","0.0007","90","","101.658","0.002","90","","1263.71","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F O2 -","- C16 H15 F O2 -","- C64 H60 F4 O8 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0362","0.0317","","","0.0821","0.0852","","","","","","1.058","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038390","14.7692","0.0017","10.2619","0.0012","5.9666","0.0006","90","","90","","90","","904.3","0.17","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C19 H22 Cl2 O4 -","- C19 H22 Cl2 O4 -","- C38 H44 Cl4 O8 -","2","0.5","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0304","0.0293","","","0.0788","0.0795","","","","","","1.064","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038391","8.3017","0.0005","10.384","0.0006","21.381","0.0012","90","","94.188","0.003","90","","1838.22","0.19","99","2","99","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C92 H80 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0385","0.0324","","","0.0847","0.0891","","","","","","1.045","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038392","8.3081","0.0003","10.2495","0.0003","20.9221","0.0007","90","","94.604","0.002","90","","1775.85","0.1","99","2","99","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C88 H68 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0615","0.0448","","","0.1119","0.121","","","","","","1.023","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038393","20.676","0.002","14.0649","0.0014","9.2725","0.0008","90","","101.965","0.004","90","","2637.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O6 S2 -","- C30 H28 O6 S2 -","- C120 H112 O24 S8 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.1252","0.0982","","","0.2655","0.2791","","","","","","1.067","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038394","4.9482","0.0006","26.28","0.003","32.363","0.003","90","","90","","90","","4208.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O -","- C28 H23 N O -","- C224 H184 N8 O8 -","8","1","","Zhang, Jie; Wang, Jia-Yin; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Ligand-Free Pd-Catalyzed Synthesis of 3-Allylbenzofurans by Merging Decarboxylative Allylation and Nucleophilic Cyclization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00375","","","1.54178","CuKα","","0.1883","0.1172","","","0.3104","0.3626","","","","","","1.056","","","","has coordinates","252183","2020-10-21","18:00:00",""
"4038395","18.6894","0.0006","12.8738","0.0004","25.594","0.0008","90","","105.831","0.003","90","","5924.4","0.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 N3 Ni O2 P -","- C32 H28 N3 Ni O2 P -","- C256 H224 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.063","0.0408","","","0.0932","0.1061","","","","","","1.047","","","","has coordinates","252184","2020-10-21","18:00:00",""
"4038396","18.6292","0.0011","12.8456","0.0008","25.5273","0.0014","90","","106.687","0.006","90","","5851.5","0.6","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H32 N3 Ni O2 P -","- C33 H32 N3 Ni O2 P -","- C264 H256 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.0676","0.0452","","","0.1164","0.1299","","","","","","1.061","","","","has coordinates","252185","2020-10-21","18:00:00",""
"4038397","9.5507","0.0005","12.2508","0.0008","14.2643","0.0008","94.414","0.005","106.298","0.005","107.793","0.005","1500.91","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","guo_1","","- C28 H26 Fe I O5 P -","- C28 H26 Fe I O5 P -","- C56 H52 Fe2 I2 O10 P2 -","2","1","","Guo, Le; Gao, Yanpeng; Wang, Zishuo; Li, Zhi; Zhang, Yingjie; Wang, Haidong; Chen, Xihui; Gong, Zhenbo; Chen, Shufeng","Regio- and Stereoselective Synthesis of Highly Functionalized Tetrasubstituted Olefins by Iodine-Mediated Iodofunctionalization of Ferrocene-Containing Allenylphosphonates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00762","","x-ray","0.71073","MoKα","","0.0539","0.038","","","0.0854","0.0948","","","","","","1.016","","","","has coordinates","252217","2020-10-21","18:00:00",""
"4038398","25.9881","0.0004","25.9881","0.0004","13.308","0.0003","90","","90","","90","","8988","0.3","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C22 H19 Au Cl O P -","- C22 H19 Au Cl O P -","- C352 H304 Au16 Cl16 O16 P16 -","16","2","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.0476","0.0414","","","0.1155","0.12","","","","","","1.042","","","","has coordinates","252218","2020-10-21","18:00:00",""
"4038399","20.6268","0.0012","8.2898","0.0009","11.4377","0.0006","90","","101.734","0.005","90","","1914.9","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H40 O5 P2 -","- C44 H40 O5 P2 -","- C88 H80 O10 P4 -","2","0.5","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.05","0.0452","","","0.1218","0.1291","","","","","","1.074","","","","has coordinates","252219","2020-10-21","18:00:00",""
"4038400","9.851","0.003","9.897","0.003","12.535","0.004","109.173","0.003","110.356","0.003","94.319","0.003","1057.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N4 Se2 -","- C26 H18 N4 Se2 -","- C52 H36 N8 Se4 -","2","1","","Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji","Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C‒H selenation of 2-arylimidazo[1,2-a]pyridine with selenium","Beilstein Journal of Organic Chemistry","2020","16","","1075","1083","10.3762/bjoc.16.94","","","0.71073","MoKα","","0.0821","0.0787","","","0.2577","0.2592","","","","","","1.11","","","","has coordinates","258191","2020-10-21","18:00:00",""
"4038401","12.1774","0.0009","13.8146","0.0011","12.5652","0.001","90","","102.665","0.002","90","","2062.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Se -","- C26 H18 N4 Se -","- C104 H72 N16 Se4 -","4","1","","Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji","Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C‒H selenation of 2-arylimidazo[1,2-a]pyridine with selenium","Beilstein Journal of Organic Chemistry","2020","16","","1075","1083","10.3762/bjoc.16.94","","","1.54178","CuKα","","0.0237","0.0226","","","0.0594","0.0603","","","","","","1.05","","","","has coordinates","258191","2020-10-21","18:00:00",""
"4038402","6.3496","0.0001","9.8492","0.0002","29.5775","0.0007","90","","92.445","0.001","90","","1848.05","0.06","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O4 S -","- C17 H18 N4 O4 S -","- C68 H72 N16 O16 S4 -","4","1","","Im, Jangbin; Shin, Sang Ik; Shin, Seunghoon","Aminooxygenation of Ynamides with N-Hydroxybenzotriazoles: Synthesis of α-Benzotriazolyl Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00174","","","0.71073","MoKα","","0.0873","0.0572","","","0.1246","0.137","","","","","","1.032","","","","has coordinates","252260","2020-10-21","18:00:00",""
"4038403","10.2605","0.0002","14.0437","0.0002","17.4967","0.0003","106.954","0.0009","98.7405","0.0009","105.299","0.0009","2253.44","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 F3 N4 O4 S -","- C23 H19 F3 N4 O4 S -","- C92 H76 F12 N16 O16 S4 -","4","2","","Im, Jangbin; Shin, Sang Ik; Shin, Seunghoon","Aminooxygenation of Ynamides with N-Hydroxybenzotriazoles: Synthesis of α-Benzotriazolyl Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00174","","","0.71073","MoKα","","0.071","0.0503","","","0.1218","0.1336","","","","","","1.029","","","","has coordinates,has disorder","252261","2020-10-21","18:00:00",""
"4038404","33.185","0.005","5.9809","0.0009","16.116","0.003","90","","109.647","0.003","90","","3012.4","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H32 O9 S2 -","- C33 H32 O9 S2 -","- C132 H128 O36 S8 -","4","1","","Maikhuri, Vipin Kumar; Khatri, Vinod; Kumar, Amit; Singh, Balram; Prasad, Ashok K.","Synthesis of Sugar Diene and its Pd-catalyzed Transformation into Chromanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00432","","","0.71073","MoKα","","0.0369","0.0317","","","0.0689","0.0709","","","","","","0.991","","","","has coordinates","252286","2020-10-21","18:00:00",""
"4038405","4.6677","0.0003","11.0185","0.0007","13.017","0.0008","90","","90.865","0.002","90","","669.4","0.07","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C30 H12 F8 I2 N2 O2 -","2","1","","Brittain, William David George; Cobb, Steven L.","Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03322","","x-ray","0.71073","MoKα","","0.0176","0.0163","","","0.0397","0.0401","","","","","","1.048","","","","has coordinates","252287","2020-10-21","18:00:00",""
"4038406","12.3523","0.0003","12.789","0.0003","12.8327","0.0003","90","","94.17","0.002","90","","2021.86","0.08","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F4 I2 N O2 -","- C20 H13 F4 I2 N O2 -","- C80 H52 F16 I8 N4 O8 -","4","1","","Brittain, William David George; Cobb, Steven L.","Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03322","","x-ray","0.71073","MoKα","","0.0426","0.0294","","","0.0642","0.0711","","","","","","1.024","","","","has coordinates","252288","2020-10-21","18:00:00",""
"4038407","8.2239","0.001","11.2158","0.0011","25.146","0.003","90","","90","","90","","2319.4","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 F3 N O S -","- C12 H8 F3 N O S -","- C96 H64 F24 N8 O8 S8 -","8","1","","Yoo, Jeyeon; Ha, Heun-Jong; Kim, Bora; Cho, Chang-Woo","Synthesis of α-Trifluoromethylthio-α,β-unsaturated Carbonyl Compounds by DABCO-Mediated Electrophilic Trifluoromethylthiolation with <i>N</i>-SCF<sub>3</sub>-dibenzenesulfonimide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00448","","","0.71073","MoKα","","0.0823","0.0588","","","0.1393","0.1554","","","","","","1.042","","","","has coordinates","252289","2020-10-21","18:00:00",""
"4038408","8.92","0.008","13.754","0.012","17.019","0.017","90","","103.67","0.02","90","","2029","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 F N O2 -","- C26 H20 F N O2 -","- C104 H80 F4 N4 O8 -","4","1","","Nagireddy, Attunuri; Singam, Maneesh Kumar Reddy; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi","Base Mediated Cyclopentannulation of Ynones with Amino Crotonates for Regio- & Stereoselective Synthesis of Pentafulvenes and Cyclopenta[c]quinolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00203","","","0.71073","MoKα","","0.0855","0.058","","","0.1613","0.1811","","","","","","1.161","","","","has coordinates","252361","2020-10-21","18:00:00",""
"4038409","14.3278","0.0008","16.401","0.0009","28.7615","0.0016","90","","90","","90","","6758.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H54 B F4 N4 P -","- C31 H54 B F4 N4 P -","- C248 H432 B8 F32 N32 P8 -","8","1","","Mboyi, Clève Dionel; Poater, Albert; Poater, Jordi; Duhayon, Carine; Chauvin, Remi","Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00847","","","0.71073","MoKα","","0.0828","0.0575","","0.0627","0.0477","0.0437","","","","","","1.102","","","","has coordinates","252362","2020-10-21","18:00:00",""
"4038410","6.7935","0.0002","8.8102","0.0003","9.8737","0.0004","101.487","0.002","108.498","0.002","106.224","0.002","510.53","0.03","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","1","","Castillo, Juan-Carlos; Castro-Agudelo, Brian; Gálvez, Jaime; Carissan, Yannick; Rodríguez, Jean; Coquerel, Yoann","Periselectivity in the aza-Diels-Alder cycloaddition between α-oxoketenes and N-(5-pyrazolyl)imines: a combined experimental and theoretical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00767","","","0.71073","MoKα","","0.0821","0.0563","","","0.1638","0.1974","","","","","","1.202","","","","has coordinates","252363","2020-10-21","18:00:00",""
"4038411","9.7851","0.0002","10.0054","0.0003","17.1038","0.0004","99.977","0.002","101.184","0.002","90.391","0.002","1616.47","0.07","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H42 O13 -","- C32 H42 O13 -","- C64 H84 O26 -","2","1","","Castillo, Juan-Carlos; Castro-Agudelo, Brian; Gálvez, Jaime; Carissan, Yannick; Rodríguez, Jean; Coquerel, Yoann","Periselectivity in the aza-Diels-Alder cycloaddition between α-oxoketenes and N-(5-pyrazolyl)imines: a combined experimental and theoretical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00767","","x-ray","1.54184","CuKα","","0.055","0.0492","","","0.1466","0.1554","","","","","","1.05","","","","has coordinates","252364","2020-10-21","18:00:00",""
"4038412","20.6034","0.0008","20.133","0.0008","22.4357","0.0008","90","","91.989","0.001","90","","9300.9","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H98 N8 O33 S8 -","- C90 H98 N8 O33 S8 -","- C360 H392 N32 O132 S32 -","4","1","","Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N.","The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts","Beilstein Journal of Organic Chemistry","2020","16","","1124","1134","10.3762/bjoc.16.99","","","0.71073","MoKα","","0.0852","0.0578","","","0.1437","0.1719","","","","","","1.025","","","","has coordinates,has disorder","258197","2020-10-21","18:00:00",""
"4038413","13.416","0.007","13.887","0.007","22.73","0.012","88.564","0.008","87.351","0.008","89.836","0.009","4229","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H40 N4 O12 S4 -","- C45 H40 N4 O12 S4 -","- C180 H160 N16 O48 S16 -","4","2","","Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N.","The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts","Beilstein Journal of Organic Chemistry","2020","16","","1124","1134","10.3762/bjoc.16.99","","","0.71073","MoKα","","0.1772","0.104","","","0.2283","0.2786","","","","","","1.081","","","","has coordinates","258197","2020-10-21","18:00:00",""
"4038414","12.3713","0.0014","30.827","0.003","15.0142","0.0013","90","","95.618","0.009","90","","5698.5","1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N2 O2 -","- C38 H28.5 N2 O2 -","- C304 H228 N16 O16 -","8","2","","Isar, Prosenjit; Ravikanth, Mangalampalli","Dibenzoylbenzodipyrroles: Key Precursors for the Synthesis of Fused Meso-Aryl Sapphyrins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00663","","x-ray","0.71073","MoKα","","0.2673","0.0982","","","0.1886","0.2939","","","","","","0.97","","","","has coordinates","252398","2020-10-21","18:00:00",""
"4038415","7.3016","0.0003","9.599","0.0003","13.3084","0.0005","72.04","0.001","82.871","0.001","71.691","0.001","842.01","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Peng, Xing-Rong; Shi, Qiangqiang; Yang, Jing; Su, Haiguo; Zhou, Lin; Qiu, Ming-Hua","Meroapplanins A‒E, Five Meroterpenoids with A 2,3,4,5-Tetrahydropyridine Motif from Ganoderma applanatum.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00842","","","1.54178","CuKα","","0.0432","0.0431","","","0.1927","0.1929","","","","","","1.884","","","","has coordinates","252399","2020-10-21","18:00:00",""
"4038416","14.6097","0.0005","14.6097","0.0005","15.4733","0.0005","90","","90","","90","","3302.67","0.19","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","[2,7,12,17-tetraethyl-3,8,13,18-tetraisopropyl-5,10,15,20-tetraphenylporphyrinato] nickel(II) DCM solvate","","- C65 H70 Cl2 N4 Ni -","- C65 H70 Cl2 N4 Ni -","- C130 H140 Cl4 N8 Ni2 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","1.54178","CuKα","","0.0777","0.077","","","0.2202","0.2208","","","","","","1.09","","","","has coordinates","252400","2020-10-21","18:00:00",""
"4038417","7.0408","0.001","9.2884","0.0013","16.116","0.003","90","","96.743","0.005","90","","1046.7","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 4-phenyl-1H-pyrrole-3-carboxylate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","0.71073","MoKα","","0.0728","0.047","","","0.1154","0.1339","","","","","","1.025","","","","has coordinates","252401","2020-10-21","18:00:00",""
"4038418","9.0803","0.0008","6.7468","0.0006","14.6471","0.0012","90","","91.91","0.002","90","","896.83","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-acetyl-4-isopropylpyrrole","","- C9 H13 N O -","- C9 H13 N O -","- C36 H52 N4 O4 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","0.71073","MoKα","","0.0669","0.0449","","","0.1015","0.1115","","","","","","1.045","","","","has coordinates","252402","2020-10-21","18:00:00",""
"4038419","27.1155","0.0007","27.1155","0.0007","27.1155","0.0007","90","","90","","90","","19936.7","0.9","100","2","100","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","2,7,12,17-tetraethyl-3,8,13,18-tetraisopropyl-5,10,15,20-tetraphenylporphyrin dication chlorine salt","","- C64 H72 Cl2 N4 -","- C64 H72 Cl2 N4 -","- C768 H864 Cl24 N48 -","12","0.25","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","1.54178","CuKα","","0.0786","0.0718","","","0.2016","0.2116","","","","","","1.068","","","","has coordinates","252403","2020-10-21","18:00:00",""
"4038420","11.9841","0.0011","25.969","0.003","16.0268","0.0016","90","","93.202","0.004","90","","4980","0.9","200","2","199.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H42 O3 -","- C57 H42 O3 -","- C228 H168 O12 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1211","0.0649","","","0.1359","0.1526","","","","","","1.046","","","","has coordinates","252404","2020-10-21","18:00:00",""
"4038421","11.9728","0.0006","25.983","0.0013","15.1667","0.0009","90","","96.848","0.002","90","","4684.5","0.4","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H48.6 Cl O1.3 -","- C59 H48.6 Cl O1.3 -","- C236 H194.4 Cl4 O5.2 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1452","0.0773","","","0.1939","0.2317","","","","","","1.002","","","","has coordinates,has disorder","252405","2020-10-21","18:00:00",""
"4038422","7.9861","0.0011","30.62","0.004","21.68","0.002","90","","94.355","0.004","90","","5286.2","1.1","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H27 Cl9 F12 -","- C57 H27 Cl9 F12 -","- C228 H108 Cl36 F48 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1387","0.0787","","","0.1504","0.1749","","","","","","1.032","","","","has coordinates","252406","2020-10-21","18:00:00",""
"4038423","15.825","0.003","7.331","0.0015","18.791","0.004","90","","102.94","0.03","90","","2124.6","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7.5 H7.5 F7.5 N7.5 O7.5 S0.75 -","- C20 H18 F7 N O3 S -","- C80 H72 F28 N4 O12 S4 -","4","1","","Wang, Weilin; Cao, Xiaohui; Xiao, Weiguo; Shi, Xiaoyu; Zuo, Xiaodan; Liu, Lingyan; Chang, Weixing; Li, Jing","Stereospecific Synthesis of cis-2,5-disubstituted pyrrolidines via N,O-acetals Formed by Hydroamination Cyclization-Hydroalkoxylation of Homopropargylic Sulfonamides in HFIP.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00403","","","0.71073","MoKα","","0.0895","0.065","","","0.1699","0.1946","","","","","","1.073","","","","has coordinates","252407","2020-10-21","18:00:00",""
"4038424","9.077","0.0003","17.0044","0.0006","11.416","0.0003","90","","93.418","0.003","90","","1758.91","0.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","0.71073","MoKα","","0.0409","0.0389","","","0.1057","0.1074","","","","","","1.028","","","","has coordinates","252408","2020-10-21","18:00:00",""
"4038425","13.078","0.0002","17.8116","0.0002","13.6505","0.0002","90","","98.684","0.001","90","","3143.3","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C160 H136 N24 O8 -","8","2","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","1.54184","CuKα","","0.0545","0.0484","","","0.1149","0.1184","","","","","","1.054","","","","has coordinates","252409","2020-10-21","18:00:00",""
"4038426","8.7653","0.0006","9.1903","0.0006","11.0216","0.0007","69.082","0.006","84.898","0.006","88.48","0.005","826.04","0.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C40 H36 N8 O2 -","2","1","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","0.71073","MoKα","","0.093","0.0779","","","0.2427","0.2546","","","","","","1.122","","","","has coordinates","252410","2020-10-21","18:00:00",""
"4038427","13.9209","0.0003","10.0413","0.0002","14.2411","0.0003","90","","97.005","0.001","90","","1975.82","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Nagaraju, Koppanathi; Gurubrahamam, Ramani; Chen, Kwunmin","Organocatalytic Diastereoselective Synthesis of Diazoaryl-benzo[<i>b</i>]azepine Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00431","","","0.71073","MoKα","","0.0442","0.0347","","","0.0787","0.0869","","","","","","1.045","","","","has coordinates","252445","2020-10-21","18:00:00",""
"4038428","11.5479","0.0016","5.7655","0.0009","14.537","0.002","90","","110.348","0.005","90","","907.5","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","LSN3495203","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C36 H36 Br2 N2 O8 S2 -","2","1","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.083","0.0784","","","0.2155","0.2253","","","","","","1.259","","","","has coordinates","252446","2020-10-21","18:00:00",""
"4038429","15.5606","0.0006","8.3186","0.0003","19.5153","0.0007","90","","112.799","0.001","90","","2328.74","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","LSN3179159","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","4","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.0563","0.0554","","","0.1851","0.1874","","","","","","1.641","","","","has coordinates","252447","2020-10-21","18:00:00",""
"4038430","6.0173","0.0002","16.885","0.0005","17.2658","0.0005","90","","90","","90","","1754.24","0.09","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Sicignano, Marina; Schettini, Rosaria; Pierri, Giovanni; Marino, Maria Leda; Izzo, Irene; De Riccardis, Francesco; Bernardi, Luca; Sala, Giorgio Della","An Entry to Enantioenriched 3,3-Disubstituted Phthalides through Asymmetric Phase-Transfer-Catalyzed γ-Alkylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00880","","","1.54178","CuKα","","0.0355","0.0343","","","0.0888","0.0898","","","","","","1.058","","","","has coordinates","252448","2020-10-21","18:00:00",""
"4038431","28.371","0.002","28.371","0.002","7.9856","0.0006","90","","90","","90","","6427.7","0.8","100","2","100","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- C22 H18 O -","- C22 H18 O -","- C352 H288 O16 -","16","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.0472","0.0449","","","0.113","0.1148","","","","","","1.04","","","","has coordinates","252459","2020-10-21","18:00:00",""
"4038432","19.1861","0.001","8.0835","0.0004","21.0439","0.0011","90","","90","","90","","3263.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O -","- C23 H20 O -","- C184 H160 O8 -","8","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.055","0.0472","","","0.1191","0.1244","","","","","","1.063","","","","has coordinates","252460","2020-10-21","18:00:00",""
"4038433","7.6953","0.0011","11.0541","0.0016","13.701","0.0017","77.15","0.011","81.52","0.011","80.98","0.012","1114.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 B2 N2 S -","- C28 H20 B2 N2 S -","- C56 H40 B4 N4 S2 -","2","1","","Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang","Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00541","","","0.71073","MoKα","","0.1396","0.066","","","0.1363","0.1783","","","","","","0.912","","","","has coordinates","252461","2020-10-21","18:00:00",""
"4038434","25.915","0.005","8.985","0.004","25.802","0.009","90","","106.34","0.03","90","","5765","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 B2 Cl3 N2 S -","- C31 H B2 Cl3 N2 S -","- C248 H8 B16 Cl24 N16 S8 -","8","1","","Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang","Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00541","","x-ray","0.71073","MoKα","","0.2107","0.1443","","","0.3537","0.4083","","","","","","1.079","","","","has coordinates","252462","2020-10-21","18:00:00",""
"4038435","14.2902","0.0002","15.0604","0.0002","6.8511","0.0001","90","","90","","90","","1474.47","0.04","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hickey, Shane; Nitschke, Samuel; Sweetman, Martin Jay; Sumby, Christopher J.; Brooks, Douglas A.; Plush, Sally E.; Ashton, Trent D.","Cross-coupling of amide and amide derivatives to umbelliferone nonaflates: synthesis of coumarin derivatives and fluorescent materials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00813","","x-ray","0.71073","MoKα","","0.0411","0.0373","","","0.0993","0.1021","","","","","","1.043","","","","has coordinates","252463","2020-10-21","18:00:00",""
"4038436","29.0174","0.0013","9.5931","0.0004","32.4315","0.0016","90","","104.701","0.002","90","","8732.3","0.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H63 N3 P2 Si8 -","- C27 H63 N3 P2 Si8 -","- C216 H504 N24 P16 Si64 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.0873","0.0485","","","0.1061","0.1248","","","","","","1.01","","","","has coordinates","252503","2020-10-21","18:00:00",""
"4038437","15.445","0.003","16.11","0.004","16.603","0.004","90","","90","","90","","4131.1","1.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H63 N3 P2 Si8 -","- C23 H63 N3 P2 Si8 -","- C92 H252 N12 P8 Si32 -","4","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.089","0.0496","","","0.1092","0.1167","","","","","","0.832","","","","has coordinates","252504","2020-10-21","18:00:00",""
"4038438","29.0404","0.0012","9.6147","0.0004","32.3626","0.0014","90","","105.309","0.002","90","","8715.5","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H65 N3 P2 Si8 -","- C28 H65 N3 P2 Si8 -","- C224 H520 N24 P16 Si64 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.0942","0.0455","","","0.0888","0.1068","","","","","","1.027","","","","has coordinates,has disorder","252505","2020-10-21","18:00:00",""
"4038439","8.8871","0.0009","12.8362","0.001","14.9048","0.0014","90","","94.848","0.009","90","","1694.2","0.3","292.9","0.1","292.9","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0991","0.0624","","","0.1323","0.1551","","","","","","1.071","","","","has coordinates","252515","2020-10-21","18:00:00",""
"4038440","29.662","0.002","10.9561","0.0008","10.6849","0.0008","90","","96.772","0.008","90","","3448.2","0.4","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C168 H160 N16 O24 -","8","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","","0.71073","MoKα","","0.0655","0.0462","","","0.1301","0.1497","","","","","","0.941","","","","has coordinates","252516","2020-10-21","18:00:00",""
"4038441","14.7542","0.0019","6.8673","0.0007","17.936","0.002","90","","105.805","0.012","90","","1748.6","0.4","292.18","0.1","292.18","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O S -","- C21 H20 N2 O S -","- C84 H80 N8 O4 S4 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0982","0.0574","","","0.1117","0.1405","","","","","","1.072","","","","has coordinates","252517","2020-10-21","18:00:00",""
"4038442","11.2878","0.0003","16.3406","0.0004","9.9479","0.0003","90","","90.224","0.003","90","","1834.87","0.09","292.8","0.2","292.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N2 O -","- C22 H21 Cl N2 O -","- C88 H84 Cl4 N8 O4 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","1.54184","CuKα","","0.0538","0.0454","","","0.1135","0.121","","","","","","1.056","","","","has coordinates","252518","2020-10-21","18:00:00",""
"4038443","8.8977","0.0014","9.224","0.002","11.7658","0.0015","86.28","0.013","69.044","0.013","67.987","0.017","833.4","0.3","292.33","0.1","292.33","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0948","0.061","","","0.1432","0.1701","","","","","","1.093","","","","has coordinates","252519","2020-10-21","18:00:00",""
"4038444","10.4686","0.0003","14.9205","0.0004","11.6719","0.0003","90","","111.076","0.001","90","","1701.15","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl N O2 -","- C22 H18 Cl N O2 -","- C88 H72 Cl4 N4 O8 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","x-ray","0.71073","MoKα","","0.0368","0.0324","","","0.0859","0.0897","","","","","","1.042","","","","has coordinates","252520","2020-10-21","18:00:00",""
"4038445","10.4411","0.0002","15.0003","0.0003","11.6037","0.0002","90","","111.566","0.001","90","","1690.14","0.06","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 N O2 -","- C21 H15 Cl2 N O2 -","- C84 H60 Cl8 N4 O8 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","x-ray","0.71073","MoKα","","0.0424","0.0308","","","0.0753","0.0799","","","","","","1.026","","","","has coordinates","252521","2020-10-21","18:00:00",""
"4038446","9.5913","0.0001","11.3803","0.0002","17.0706","0.0002","90","","100.599","0.001","90","","1831.5","0.04","149.98","","149.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl N2 O4 -","- C21 H15 Cl N2 O4 -","- C84 H60 Cl4 N8 O16 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","","0.71073","MoKα","","0.039","0.0339","","","0.0862","0.0905","","","","","","1.027","","","","has coordinates,has disorder","252522","2020-10-21","18:00:00",""
"4038447","10.9679","0.0017","17.281","0.003","14.158","0.003","90","","106.458","0.017","90","","2573.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl N O4 S2 -","- C28 H24 Cl N O4 S2 -","- C112 H96 Cl4 N4 O16 S8 -","4","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.1674","0.0705","","","0.1624","0.2326","","","","","","0.87","","","","has coordinates","252523","2020-10-21","18:00:00",""
"4038448","8.0583","0.0008","10.8415","0.001","14.8495","0.0014","91.482","0.008","91.077","0.008","98.721","0.008","1281.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl N O4 S2 -","- C28 H24 Cl N O4 S2 -","- C56 H48 Cl2 N2 O8 S4 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.0548","0.0393","","","0.0941","0.1052","","","","","","1.047","","","","has coordinates","252524","2020-10-21","18:00:00",""
"4038449","8.0056","0.0014","11.2427","0.0019","13.774","0.003","88.955","0.015","80.052","0.016","89.787","0.014","1220.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H21 Cl F N O5 S -","- C27 H21 Cl F N O5 S -","- C54 H42 Cl2 F2 N2 O10 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.131","0.0906","","","0.2273","0.2752","","","","","","1.015","","","","has coordinates","252525","2020-10-21","18:00:00",""
"4038450","5.2038","0.0005","19.8216","0.0019","21.82","0.002","90","","94.162","0.007","90","","2244.7","0.4","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O3 S -","- C23 H22 N2 O3 S -","- C92 H88 N8 O12 S4 -","4","1","","Omer, Humair M.; Liu, Peng; Brummond, Kay M.","Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00788","","","1.54178","CuKα","","0.0936","0.06","","","0.1538","0.1772","","","","","","0.982","","","","has coordinates","252549","2020-10-21","18:00:00",""
"4038451","15.9187","0.0005","11.306","0.0004","19.6808","0.0006","90","","107.388","0.002","90","","3380.22","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O8 S4 -","- C34 H32 O8 S4 -","- C136 H128 O32 S16 -","4","1","","Omer, Humair M.; Liu, Peng; Brummond, Kay M.","Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00788","","","1.54178","CuKα","","0.1031","0.0981","","","0.3149","0.3192","","","","","","3.588","","","","has coordinates,has disorder","252550","2020-10-21","18:00:00",""
"4038452","18.677","0.003","12.7097","0.0016","20.926","0.003","90","","110.411","0.004","90","","4655.5","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H42 Cl3 N3 S2 -","- C53 H42 Cl3 N3 S2 -","- C212 H168 Cl12 N12 S8 -","4","1","","Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi","Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00754","","","0.71073","MoKα","","0.1441","0.0764","","","0.2006","0.2587","","","","","","1.019","","","","has coordinates,has disorder","252551","2020-10-21","18:00:00",""
"4038453","13.926","0.003","14.889","0.003","18.825","0.003","90","","95.369","0.006","90","","3886.1","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H43 N3 O S -","- C49 H43 N3 O S -","- C196 H172 N12 O4 S4 -","4","2","","Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi","Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00754","","","0.71073","MoKα","","0.1641","0.0765","","","0.1589","0.2029","","","","","","0.997","","","","has coordinates","252552","2020-10-21","18:00:00",""
"4038454","31.575","0.009","4.3839","0.0012","25.202","0.007","90","","110.474","0.005","90","","3268.1","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl N2 O -","- C19 H13 Cl N2 O -","- C152 H104 Cl8 N16 O8 -","8","1","","Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu","Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00963","","","0.71073","MoKα","","0.0981","0.063","","","0.199","0.2276","","","","","","1.07","","","","has coordinates","252553","2020-10-21","18:00:00",""
"4038455","21.705","0.008","18.455","0.006","17.774","0.007","90","","112.216","0.006","90","","6591","4","128.15","","128.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H41 N2 O2.5 -","- C41.5 H41 N2 O2.5 -","- C332 H328 N16 O20 -","8","2","","Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu","Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00963","","","0.71075","MoKα","","0.0907","0.0647","","","0.1375","0.1531","","","","","","1.138","","","","has coordinates","252554","2020-10-21","18:00:00",""
"4038456","18.6397","0.0007","11.6276","0.0006","20.5913","0.0009","90","","90","","90","","4462.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F6 N2 O3 -","- C24 H14 F6 N2 O3 -","- C192 H112 F48 N16 O24 -","8","1","","Ge, Junying; Ding, Qiuping; Wang, Xinhua; Peng, Yiyuan","Three-Component Cascade Synthesis of Fully-substituted Trifluoromethyl Pyrroles via a Cu(II)/Rh(Ⅲ)-promoted aza-Michael Addition/Trifluoromethylation Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03470","","x-ray","0.71073","MoKα","","0.1469","0.1083","","","0.3634","0.3985","","","","","","1.466","","","","has coordinates","252555","2020-10-21","18:00:00",""
"4038457","10.8119","0.0001","27.364","0.0004","23.5338","0.0003","90","","93.109","0.001","90","","6952.39","0.15","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H76 Cl2 N4 O4 -","- C81 H76 Cl2 N4 O4 -","- C324 H304 Cl8 N16 O16 -","4","1","","Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert","Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00293","","x-ray","1.54184","CuKα","","0.0812","0.0697","","","0.1942","0.2086","","","","","","1.045","","","","has coordinates,has disorder","252584","2020-10-21","18:00:00",""
"4038458","17.9928","0.0001","15.5983","0.0001","29.9124","0.0003","90","","94.428","0.001","90","","8370.07","0.11","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H86 Cl4 N4 O12 -","- C90 H86 Cl4 N4 O12 -","- C360 H344 Cl16 N16 O48 -","4","1","","Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert","Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00293","","x-ray","1.54184","CuKα","","0.0886","0.0805","","","0.2274","0.2381","","","","","","1.027","","","","has coordinates,has disorder","252585","2020-10-21","18:00:00",""
"4038459","11.7009","0.001","13.1974","0.0011","19.6819","0.0017","90","","91.092","0.002","90","","3038.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H37 B N9 O4 P W -","- C25 H37 B N9 O4 P W -","- C100 H148 B4 N36 O16 P4 W4 -","4","2","","Wilde, Justin H.; Dickie, Diane A.; Harman, W. Dean","A Highly Divergent Synthesis of 3-Aminotetrahydropyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00853","","","0.71073","MoKα","","0.0292","0.0231","","","0.0448","0.0467","","","","","","1.021","","","","has coordinates","252651","2020-10-21","18:00:00",""
"4038460","28.8676","0.0012","10.9791","0.0005","18.9515","0.001","90","","120.847","0.0012","90","","5156.8","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Br N2 O4 S -","- C28 H27 Br N2 O4 S -","- C224 H216 Br8 N16 O32 S8 -","8","1","","Vachan, B. S.; Karuppasamy, Muthu; Jan, Gowsia; Bhuvanesh, Nattamai; Maheswari, C. Uma; Sridharan, Vellaisamy","Direct Access to Bridged Tetrahydroquinolines and Chromanes via an InCl<sub>3</sub>-Catalyzed Sequential Three-Component Cascade.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00893","","","0.71073","MoKα","","0.0692","0.0448","","","0.0988","0.1122","","","","","","1.021","","","","has coordinates,has disorder","252652","2020-10-21","18:00:00",""
"4038461","7.1153","0.0003","14.0361","0.0007","10.9661","0.0005","90","","106.576","0.0013","90","","1049.68","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Br2 O4 -","- C20 H28 Br2 O4 -","- C40 H56 Br4 O8 -","2","0.5","","Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian","Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00826","","x-ray","0.71073","MoKα","","0.0634","0.0286","","","0.0742","0.0908","","","","1.26","1.26","1.26","","","","has coordinates","252653","2020-10-21","18:00:00",""
"4038462","6.3185","0.0003","12.4574","0.0004","13.2815","0.0005","90","","102.049","0.002","90","","1022.38","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C44 H60 O12 -","2","0.5","","Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian","Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00826","","x-ray","0.71073","MoKα","","0.0519","0.04","","","0.1045","0.1114","","","","1.7","1.7","1.6","","","","has coordinates","252653","2020-10-21","18:00:00",""
"4038463","7.49","0.002","13.833","0.004","18.496","0.005","90","","90","","90","","1916.4","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 N O4 -","- C27 H18 O4 -","- C108 H72 O16 -","4","1","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.0752","0.048","","","0.1031","0.1174","","","","","","1.018","","","","has coordinates","252951","2020-10-21","18:00:00",""
"4038464","37.052","0.006","37.052","0.006","7.5084","0.0014","90","","90","","120","","8927","3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H16 O5 -","- C78 H54 O12 -","- C468 H324 O72 -","6","0.333333","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.1596","0.1231","","","0.4071","0.437","","","","","","1.793","","","","has coordinates","252952","2020-10-21","18:00:00",""
"4038465","8.9661","0.0008","12.1471","0.0009","12.7912","0.0013","91.881","0.007","100.721","0.008","93.595","0.007","1364.7","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 Cl6 N6 S4 Sn -","- C50 H52 Cl6 N6 S4 Sn -","- C50 H52 Cl6 N6 S4 Sn -","1","0.5","","Nagahora, Noriyoshi; Kitahara, Kana; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Shioji, Kosei; Okuma, Kentaro","Synthesis and Properties of Thiophene-Fused Thiopyrylium Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00364","","","0.71073","MoKα","","0.073","0.0482","","","0.1212","0.1331","","","","","","1.028","","","","has coordinates","252953","2020-10-21","18:00:00",""
"4038466","9.601","0.002","9.516","0.002","12.832","0.003","90","","92.868","0.004","90","","1170.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O2 -","- C12 H10 Br N O2 -","- C48 H40 Br4 N4 O8 -","4","1","","Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui","IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00625","","","0.71073","MoKα","","0.071","0.0416","","","0.0919","0.1058","","","","","","1.015","","","","has coordinates","253016","2020-10-21","18:00:00",""
"4038467","12.858","0.003","9.1867","0.0018","18.757","0.004","90","","104.697","0.003","90","","2143.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","2","","Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui","IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00625","","","0.71073","MoKα","","0.0577","0.0438","","","0.1123","0.1223","","","","","","1.029","","","","has coordinates","253017","2020-10-21","18:00:00",""
"4038468","6.043","0.002","7.662","0.002","27.127","0.008","90","","90","","90","","1256","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O5 S2 -","- C11 H13 N O5 S2 -","- C44 H52 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0675","0.0574","","","0.147","0.1577","","","","","","1.05","","","","has coordinates","253042","2020-10-21","18:00:00",""
"4038469","8.5122","0.0015","9.4305","0.0015","20.019","0.004","90","","90","","90","","1607","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O5 S2 -","- C16 H15 N O5 S2 -","- C64 H60 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0535","0.0461","","","0.1136","0.1241","","","","","","1.047","","","","has coordinates","253043","2020-10-21","18:00:00",""
"4038470","9.1129","0.0011","11.1539","0.0014","10.0597","0.0012","90","","107.223","0.004","90","","976.7","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C46 H40 N4 O4 S2 -","2","1","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.0657","0.0487","","","0.1284","0.1451","","","","","","0.933","","","","has coordinates","253044","2020-10-21","18:00:00",""
"4038471","11.3599","0.0009","8.5436","0.0007","21.1845","0.0016","90","","102.804","0.002","90","","2004.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C92 H80 N8 O8 S4 -","4","2","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.084","0.0586","","","0.144","0.1701","","","","","","0.994","","","","has coordinates","253045","2020-10-21","18:00:00",""
"4038472","5.6728","0.0012","9.823","0.002","17.884","0.004","86.194","0.003","88.953","0.004","75.743","0.003","963.7","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Br O2 P -","- C22 H20 Br O2 P -","- C44 H40 Br2 O4 P2 -","2","1","","Zhao, Runmin; Huang, Xianhua; Wang, Minning; Hu, Shanshan; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","TfOH-Catalyzed Phosphinylation of 2,3-Allenols into γ-Ketophosphine Oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00328","","","0.71073","MoKα","","0.0638","0.0576","","","0.149","0.154","","","","","","1.0454","","","","has coordinates","253046","2020-10-21","18:00:00",""
"4038473","27.123","0.004","27.123","0.004","13.041","0.003","90","","90","","90","","9594","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C21 H19 Br F6 N2 O4 -","- C21 H19 Br F6 N2 O4 -","- C336 H304 Br16 F96 N32 O64 -","16","1","","Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai","Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00476","","","0.71073","MoKα","","0.1161","0.055","","","0.0952","0.116","","","","","","1.002","","","","has coordinates","253065","2020-10-21","18:00:00",""
"4038474","8.938","0.0018","14.128","0.003","14.308","0.003","90","","105.68","0.03","90","","1739.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N2 O3 -","- C18 H17 Br N2 O3 -","- C72 H68 Br4 N8 O12 -","4","1","","Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai","Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00476","","","0.71073","MoKα","","0.1904","0.0726","","","0.0964","0.121","","","","","","1.004","","","","has coordinates","253066","2020-10-21","18:00:00",""
"4038475","9.362","0.002","29.313","0.007","16.189","0.003","90","","115.546","0.011","90","","4008.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Br N4 O3 -","- C19 H11 Br N4 O3 -","- C152 H88 Br8 N32 O24 -","8","2","","Chen, Li-Jun; Yu, Jin-Hang; He, Bin; Xie, Jian-Wu; Liu, Yuan-Xiu; Zhu, Wei-Dong","Umpolung Strategy for the Synthesis of Chiral Dispiro[2-amino-4,5-dihydrofuran-3-carbonitrile]bisoxindoles","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00418","","","0.71073","MoKα","","0.0964","0.0721","","","0.1382","0.1396","","","","","","3.915","","","","has coordinates","253067","2020-10-21","18:00:00",""
"4038476","16.4728","0.0004","9.39367","0.00019","22.5176","0.0005","90","","106.731","0.003","90","","3336.87","0.14","293.1","0.2","293.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O S -","- C17 H17 Cl N2 O S -","- C136 H136 Cl8 N16 O8 S8 -","8","2","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.055","0.0464","","","0.1201","0.1292","","","","","","1.035","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038477","7.56093","0.00016","10.6632","0.0002","22.1615","0.0005","90","","91.968","0.002","90","","1785.69","0.06","290.73","0.1","290.73","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","x-ray","1.54184","CuKα","","0.046","0.0401","","","0.1036","0.1095","","","","","","1.058","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038478","17.7949","0.0005","11.2697","0.0003","10.0677","0.0003","90","","104.349","0.003","90","","1956.02","0.1","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.077","0.0686","","","0.1982","0.2127","","","","","","1.063","","","","has coordinates,has disorder","253747","2020-10-21","18:00:00",""
"4038479","10.5278","0.0006","12.1806","0.0006","11.4454","0.0006","90","","99.627","0.002","90","","1447.03","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0918","0.0457","","","0.1092","0.1402","","","","","","1.066","","","","has coordinates","253104","2020-10-21","18:00:00",""
"4038480","11.0228","0.0006","9.1224","0.0006","22.8268","0.0014","90","","95.723","0.002","90","","2283.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br3 N O3 -","- C26 H18 Br3 N O3 -","- C104 H72 Br12 N4 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0548","0.0394","","","0.0856","0.0907","","","","","","1.07","","","","has coordinates","253105","2020-10-21","18:00:00",""
"4038481","5.9006","0.0003","15.9293","0.0009","14.4042","0.0009","90","","101.031","0.002","90","","1328.87","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl O4 -","- C16 H13 Cl O4 -","- C64 H52 Cl4 O16 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.045","0.0323","","","0.0724","0.0809","","","","","","1.044","","","","has coordinates","253106","2020-10-21","18:00:00",""
"4038482","9.1565","0.0003","14.1329","0.0005","12.2218","0.0004","90","","106.165","0.002","90","","1519.07","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl O5 -","- C17 H17 Cl O5 -","- C68 H68 Cl4 O20 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0511","0.0367","","","0.0972","0.1043","","","","","","1.046","","","","has coordinates","253107","2020-10-21","18:00:00",""
"4038483","10.783","0.0002","9.095","0.0002","22.4992","0.0004","90","","96.644","0.001","90","","2191.71","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl3 N O3 -","- C26 H18 Cl3 N O3 -","- C104 H72 Cl12 N4 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","1.54178","CuKα","","0.0386","0.0359","","","0.0923","0.0946","","","","","","1.053","","","","has coordinates","253108","2020-10-21","18:00:00",""
"4038484","8.6843","0.0006","8.6843","0.0006","32.226","0.003","90","","90","","120","","2104.8","0.3","200","2","199.99","","","","","","","","","3","P 61","P 61","169","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0764","0.0507","","","0.0984","0.1073","","","","","","1.087","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038485","7.5228","0.0008","8.6162","0.0009","12.1657","0.0012","73.415","0.004","83.009","0.004","72.76","0.004","721.2","0.13","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O3 -","- C17 H17 F O3 -","- C34 H34 F2 O6 -","2","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0622","0.0451","","","0.0969","0.1055","","","","","","1.076","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038486","9.2435","0.0012","11.0703","0.0013","15.3163","0.0017","90","","102.368","0.004","90","","1530.9","0.3","180","2","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C68 H68 Br4 O12 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0615","0.0379","","","0.0676","0.074","","","","","","1.031","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038487","8.8967","0.0009","11.4613","0.001","30.389","0.003","90","","90","","90","","3098.7","0.5","190","2","190","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.114","0.0525","","","0.1232","0.1581","","","","","","0.912","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038488","12.6268","0.0011","13.5454","0.0014","12.6269","0.0011","90","","99.11","","90","","2132.4","0.3","200","2","199.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N O4 S -","- C24 H26 N O4 S -","- C96 H104 N4 O16 S4 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0911","0.0532","","","0.1261","0.1473","","","","","","1.034","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038489","10.274","0.004","10.309","0.003","14.243","0.005","90","","94.557","0.012","90","","1503.8","0.9","298","2","298.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0862","0.0547","","","0.139","0.1634","","","","","","1.024","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038490","27.088","0.004","8.3022","0.0011","11.4695","0.0016","90","","96.808","0.002","90","","2561.2","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br N O4 S -","- C29 H28 Br N O4 S -","- C116 H112 Br4 N4 O16 S4 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0589","0.0498","","","0.1193","0.1258","","","","","","1.002","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038491","12.6219","0.0011","16.3765","0.0013","16.6547","0.0014","90","","100.607","0.004","90","","3383.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N2 O6 -","- C38 H32 N2 O6 -","- C152 H128 N8 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","1.54178","CuKα","","0.114","0.0825","","","0.1806","0.2071","","","","","","1.132","","","","has coordinates,has disorder","253110","2020-10-21","18:00:00",""
"4038492","12.8844","0.0013","13.9073","0.0013","20.6328","0.0019","98.862","0.007","106.525","0.007","94.899","0.007","3469.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","1","0.5","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1869","0.138","","","0.384","0.42","","","","","","1.446","","","","has coordinates","253111","2020-10-21","18:00:00",""
"4038493","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","253112","2020-10-21","18:00:00",""
"4038494","12.8709","0.0004","15.6947","0.0004","16.5272","0.0005","90","","92.507","0.002","90","","3335.38","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O6 -","- C36 H30 N4 O6 -","- C144 H120 N16 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","1.54178","CuKα","","0.1505","0.0713","","","0.1979","0.2596","","","","","","0.997","","","","has coordinates","253113","2020-10-21","18:00:00",""
"4038495","13.4848","0.0008","13.8175","0.0009","14.4535","0.001","74.959","0.006","88.351","0.005","65.812","0.006","2363.3","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","2","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.092","0.0595","","","0.121","0.1445","","","","","","1.065","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038496","13.7565","0.0007","10.3255","0.0006","16.8608","0.0007","90","","100.716","0.004","90","","2353.2","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","1","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.0869","0.0563","","","0.1199","0.1397","","","","","","1.04","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038497","8.5683","0.001","10.3368","0.0012","11.1001","0.0013","78.658","0.002","75.05","0.002","77.369","0.002","916.54","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O6 -","- C17 H18 N4 O6 -","- C34 H36 N8 O12 -","2","1","","Brahmachari, Goutam; Nayek, Nayana; Karmakar, Indrajit; Nurjamal, Khondekar; Chandra, Swapan K.; Bhowmick, Anindita","A Series of Functionalized 5-(2-Arylimidazo[1,2-a]pyridin-3-yl)pyrimidine-2,4(1H,3H)-diones: A Water-Mediated Three-Component Catalyst-Free Protocol Revisited.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00732","","","0.71073","MoKα","","0.0967","0.0633","","","0.1627","0.2035","","","","","","1.004","","","","has coordinates","253183","2020-10-21","18:00:00",""
"4038498","16.5939","0.0006","13.739","0.0006","10.851","0.0004","90","","99.769","0.003","90","","2437.98","0.17","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 F6 N2 O -","- C29 H18 F6 N2 O -","- C116 H72 F24 N8 O4 -","4","1","","Zhu, Lifan; Guo, Hongyu; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Copper-Catalyzed One-Pot Synthesis of 1,3-Enynes from 2-Chloro-<i>N</i>-(quinolin-8-yl)acetamides and Terminal Alkynes.","The Journal of organic chemistry","2020","85","13","8740","8748","10.1021/acs.joc.0c01102","","","0.71073","MoKα","","0.1223","0.0667","","","0.1783","0.217","","","","","","1.059","","","","has coordinates","253738","2020-10-21","18:00:00",""
"4038499","11.0046","0.0004","11.4721","0.0004","15.6538","0.0004","90","","90","","90","","1976.23","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O4 S -","- C22 H19 Br O4 S -","- C88 H76 Br4 O16 S4 -","4","1","","Formánek, Bedřich; Tauchman, Jiří; Císařová, Ivana; Veselý, Jan","Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction.","The Journal of organic chemistry","2020","85","13","8510","8521","10.1021/acs.joc.0c00882","","","0.71073","MoKα","","0.0197","0.0182","","","0.0439","0.0445","","","","","","1.084","","","","has coordinates","253739","2020-10-21","18:00:00",""
"4038500","15.3318","0.0008","5.8627","0.0003","11.9302","0.0007","90","","104.921","0.006","90","","1036.2","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","","Tong, Zhou; Tang, Zhi; Au, Chak-Tong; Qiu, Renhua","Nickel-Catalyzed Decarbonyloxidation of 3-Aryl Benzofuran-2(<i>3H</i>)-ones to 2-Hydroxybenzophenones.","The Journal of organic chemistry","2020","85","13","8533","8543","10.1021/acs.joc.0c00858","","x-ray","0.71073","MoKα","","0.0407","0.0343","","","0.0824","0.0871","","","","","","1.067","","","","has coordinates","253737","2020-10-21","18:00:00",""
"4038501","7.022","0.0011","11.2016","0.0017","15.789","0.002","90","","99.001","0.014","90","","1226.6","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C1.714 H1.486 N0.343 -","- C1.71429 H1.48571 N0.342857 -","- C60 H52 N12 -","35","8.75","","Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.","The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00951","","x-ray","1.54184","CuKα","","0.1379","0.0821","","","0.1705","0.1987","","","","","","1.1139","","","","has coordinates","253256","2020-10-21","18:00:00",""
"4038502","23.9762","0.0003","11.8933","0.0002","22.7987","0.0003","90","","93.283","0.001","90","","6490.52","0.16","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N3 -","- C22 H13 N3 -","- C352 H208 N48 -","16","4","","Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.","The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00951","","x-ray","1.54184","CuKα","","0.0569","0.0536","","","0.1351","0.137","","","","","","1.145","","","","has coordinates","253256","2020-10-21","18:00:00",""
"4038503","9.5001","0.0003","10.163","0.0003","15.8945","0.0006","101.392","0.003","102.647","0.003","100.795","0.003","1424.6","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N O -","- C12.6667 H10.6667 N0.666667 -","- C76 H64 N4 -","6","3","","Tambe, Shrikant D.; Min, Kwan Hong; Iqbal, Naeem; Cho, Eun Jin","Distinctive reactivity of <i>N</i>-benzylidene-[1,1'-biphenyl]-2-amines under photoredox conditions.","Beilstein journal of organic chemistry","2020","16","","1335","1342","10.3762/bjoc.16.114","","x-ray","1.54184","CuKα","","0.0726","0.065","","","0.1917","0.2008","","","","","","1.081","","","","has coordinates","254025","2020-10-21","18:00:00",""
"4038504","8.2539","0.0005","9.845","0.0006","10.1665","0.0006","85.666","0.005","76.94","0.005","82.44","0.005","796.86","0.09","108.45","0.1","108.45","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C34 H36 N4 S4 -","2","1","","Qi, Peng; Sun, Fang; Chen, Ning; Du, Hongguang","Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.","The Journal of organic chemistry","2020","85","13","8588","8596","10.1021/acs.joc.0c00953","","x-ray","0.71073","MoKα","","0.0379","0.0333","","","0.0792","0.0824","","","","","","1.034","","","","has coordinates","253745","2020-10-21","18:00:00",""
"4038505","8.4889","0.0005","23.1788","0.0013","10.7372","0.0006","90","","108.396","0.007","90","","2004.7","0.2","237","190","237","190","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","x-ray","0.71073","MoKα","","0.0873","0.0534","","","0.1224","0.1419","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038506","8.8161","0.0004","9.5583","0.0005","9.7852","0.0004","70.157","0.002","73.487","0.002","68.453","0.002","709.31","0.06","298","2","298.51","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","","0.71073","MoKα","","0.0443","0.0406","","","0.111","0.114","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038507","8.6117","0.0006","13.1472","0.0007","16.255","0.0013","90","","95.684","0.007","90","","1831.3","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C72 H68 F12 N8 O20 -","4","1","","Fang, Zheng; Yin, Hongshan; Lin, Lu; Wen, Shunli; Xie, Lili; Huang, Yangjie; Weng, Zhiqiang","Collaborative Activation of Trifluoroacetyl Diazoester by a Lewis Acid and Base for the Synthesis of Polysubstituted 4-Trifluoromethylpyrazoles.","The Journal of organic chemistry","2020","85","13","8714","8722","10.1021/acs.joc.0c00737","","x-ray","1.54184","CuKα","","0.0761","0.0509","","","0.1277","0.1461","","","","","","1.078","","","","has coordinates,has disorder","253734","2020-10-21","18:00:00",""
"4038508","7.2414","0.0008","8.1329","0.0008","18.752","0.003","90","","90","","90","","1104.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0306","0.0279","","","0.0673","0.0692","","","","","","1.047","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038509","8.5612","0.0003","7.1443","0.0002","11.337","0.0003","90","","101.245","0.001","90","","680.1","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Cl2 N O -","- C13 H17 Cl2 N O -","- C26 H34 Cl4 N2 O2 -","2","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0285","0.0279","","","0.0709","0.0714","","","","","","1.049","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038510","18.1713","0.0007","13.699","0.0005","8.3562","0.0003","90","","97.785","0.002","90","","2060.93","0.13","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 B F7 N3 -","- C21 H17 B F7 N3 -","- C84 H68 B4 F28 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0936","0.0652","","","0.1718","0.2038","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038511","9.656","0.002","14.574","0.004","17.635","0.004","90","","90","","90","","2481.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 B Br2 F2 N3 -","- C24 H26 B Br2 F2 N3 -","- C96 H104 B4 Br8 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0805","0.0458","","","0.1017","0.1172","","","","","","1.027","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038512","12.489","0.003","11.29","0.002","18.975","0.004","90","","104.119","0.003","90","","2594.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B Br3 F2 N3 -","- C24 H25 B Br3 F2 N3 -","- C96 H100 B4 Br12 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.1231","0.0703","","","0.1628","0.1877","","","","","","1.039","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038513","10.9684","0.0018","17.472","0.003","18.559","0.003","114.162","0.002","102.168","0.002","93.667","0.002","3126.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H68 B3 F6 N9 -","- C66 H68 B3 F6 N9 -","- C132 H136 B6 F12 N18 -","2","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.2102","0.0795","","","0.2757","0.3127","","","","","","1.298","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038514","8.7637","0.0003","17.0551","0.0007","20.6021","0.0009","90","","90","","90","","3079.3","0.2","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 B Br2 Cl F2 N3 -","- C30 H29 B Br2 Cl F2 N3 -","- C120 H116 B4 Br8 Cl4 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0815","0.0574","","","0.1435","0.1622","","","","","","1.051","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038515","16.8071","0.0011","19.0449","0.0014","16.4613","0.0011","90","","98.752","0.002","90","","5207.7","0.6","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B F2 N3 -","- C30 H30 B F2 N3 -","- C240 H240 B8 F16 N24 -","8","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0886","0.0735","","","0.18","0.2009","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038516","9.7883","0.0009","26.2735","0.0014","10.597","0.0008","90","","112.636","0.009","90","","2515.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl N O4 -","- C31 H24 Cl N O4 -","- C124 H96 Cl4 N4 O16 -","4","1","","Zimnitskiy, Nikolay S.; Denikaev, Andrey D.; Barkov, Alexey Y.; Kutyashev, Igor B.; Korotaev, Vladislav Y.; Sosnovskikh, Vyacheslav Y.","Catalyst-free Tandem 1,3-Dipolar Cycloaddition/Aldol Condensation: Diastereoselective Construction of the Azatetraquinane Skeleton.","The Journal of organic chemistry","2020","85","13","8683","8694","10.1021/acs.joc.0c01127","","","0.71073","MoKα","","0.1451","0.0797","","","0.2158","0.2839","","","","","","1.044","","","","has coordinates,has disorder","253742","2020-10-21","18:00:00",""
"4038517","8.8912","0.0005","11.9339","0.0006","12.6741","0.0007","85.22","0.002","74.19","0.002","80.966","0.002","1276.72","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N2 O2 Si -","- C27 H38 N2 O2 Si -","- C54 H76 N4 O4 Si2 -","2","1","","Pati, Tanmay K.; Ajarul, Sk; Kundu, Mrinalkanti; Tayde, Deepak; Khamrai, Uttam; Maiti, Dilip K.","Synthesis of Functionalized Arylacetamido-2-pyridones through <i>ortho</i>-C(sp<sup>2</sup>)-H-Activated Installation of Olefins and Alkynes.","The Journal of organic chemistry","2020","85","13","8563","8579","10.1021/acs.joc.0c00941","","","1.54178","CuKα","","0.0511","0.0489","","","0.1231","0.1249","","","","","","1.054","","","","has coordinates","253740","2020-10-21","18:00:00",""
"4038518","8.2882","0.0013","11.6286","0.0017","19.897","0.003","90","","100.909","0.004","90","","1883","0.5","113","2","113","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Nishida, Masaki; Lee, Donghyeon; Shintani, Ryo","Intermolecular Three-Component Synthesis of Fluorene Derivatives by a Rhodium-Catalyzed Stitching Reaction/Remote Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2020","85","13","8489","8500","10.1021/acs.joc.0c00790","","","0.71075","MoKα","","0.076","0.0471","","","0.1228","0.1487","","","","","","0.851","","","","has coordinates","253741","2020-10-21","18:00:00",""
"4038519","21.532","0.002","8.0393","0.0007","29.212","0.003","90","","99.5823","0.0015","90","","4986.1","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Cl N2 O2 -","- C31 H27 Cl N2 O2 -","- C248 H216 Cl8 N16 O16 -","8","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","0.71073","MoKα","","0.0965","0.0524","","","0.1013","0.1185","","","","","","1.014","","","","has coordinates","253743","2020-10-21","18:00:00",""
"4038520","15.5188","0.001","21.4989","0.0013","7.5658","0.0005","90","","90","","90","","2524.2","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","1.54178","CuKα","","0.1195","0.0583","","","0.1227","0.1477","","","","","","0.991","","","","has coordinates,has disorder","253743","2020-10-21","18:00:00",""
"4038521","13.718","0.0018","8.7102","0.0009","25.568","0.003","90","","95.537","0.011","90","","3040.8","0.6","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","1","","Wang, Yu-Jiao; Wang, Tong-Tong; Yao, Lan; Wang, Qian-Long; Zhao, Li-Ming","Access to 4-Alkenylated Coumarins via Ruthenium-Catalyzed Olefinic C-H Alkenylation of Coumarins with Modifiable and Removable Directing Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00249","","x-ray","0.71073","MoKα","","0.1072","0.0606","","","0.1252","0.1532","","","","","","1.013","","","","has coordinates","253425","2020-10-21","18:00:00",""
"4038522","5.258","0.004","8.81","0.006","12.257","0.009","99.991","0.009","98.639","0.008","95.953","0.008","547.9","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 S2 -","- C10 H11 N3 S2 -","- C20 H22 N6 S4 -","2","1","","Kang, Gui-Feng; Zhang, Gang","One-pot synthesis of 1,3,5-triazine-2,4-dithione derivatives via three-component reactions","Beilstein Journal of Organic Chemistry","2020","16","","1447","1455","10.3762/bjoc.16.120","","","0.71073","MoKα","","0.0951","0.0898","","","0.2374","0.2394","","","","","","1.181","","","","has coordinates","258196","2020-10-21","18:00:00",""
"4038523","23.264","0.005","18.39","0.004","17.423","0.004","90","","127.66","0.03","90","","5901","3","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","ro24_sq","","","- C52 H56 N16 O8 -","- C52 H56 N16 O8 -","- C208 H224 N64 O32 -","4","1","","Mohite, Amar Ramchandra; Reany, Ofer","Inherently Chiral Bambus[4]urils.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01174","","","0.71073","MoKα","","0.1077","0.0854","","","0.231","0.2551","","","","","","1.053","","","","has coordinates,has disorder","253452","2020-10-21","18:00:00",""
"4038524","5.41","0.0011","12.802","0.003","22.803","0.005","90","","90","","90","","1579.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Xiong, Cheng; Cheng, Kunpeng; Wang, Jiahua; Yang, Fulai; Lu, Jinrong; Zhou, Qingfa","Iodine-Catalyzed Aerobic Oxidation of Spirovinylcyclopropyl Oxindoles to Form Spiro-1,2-dioxolanes Diastereoselectively.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00652","","","0.71073","MoKα","","0.3239","0.0885","","","0.1791","0.267","","","","","","1.012","","","","has coordinates","253453","2020-10-21","18:00:00",""
"4038525","8.694","0.0006","20.9333","0.0014","9.0103","0.0008","90","","106.693","0.008","90","","1570.7","0.2","100","3","100","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I3 O3 -","- C13 H9 I3 O3 -","- C52 H36 I12 O12 -","4","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","","1.54184","CuKα","","0.045","0.0408","","","0.1165","0.1196","","","","","","1.093","","","","has coordinates","253454","2020-10-21","18:00:00",""
"4038526","8.2618","0.0003","43.8957","0.0017","4.20886","0.00017","90","","90","","90","","1526.37","0.1","100","3","100","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 I N O3 -","- C16 H16 I N O3 -","- C64 H64 I4 N4 O12 -","4","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","x-ray","1.54184","CuKα","","0.0718","0.066","","","0.1788","0.1819","","","","","","1.138","","","","has coordinates","253455","2020-10-21","18:00:00",""
"4038527","7.2353","0.0003","9.1711","0.0003","12.0759","0.0003","97.581","0.002","106.756","0.003","103.036","0.003","730.66","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 I N3 O2 -","- C14 H14 I N3 O2 -","- C28 H28 I2 N6 O4 -","2","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","","0.71073","MoKα","","0.0192","0.0175","","","0.0402","0.041","","","","","","1.058","","","","has coordinates","253456","2020-10-21","18:00:00",""
"4038528","13.17979","0.00014","13.5664","0.00015","13.59048","0.00012","105.804","0.0009","105.681","0.0009","105.509","0.001","2093.08","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Co2 O9 -","- C22 H10 Co2 O9 -","- C88 H40 Co8 O36 -","4","2","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","x-ray","1.54184","CuKα","","0.0428","0.0382","","","0.1058","0.1082","","","","","","1.088","","","","has coordinates","253457","2020-10-21","18:00:00",""
"4038529","11.7637","0.0007","14.5153","0.0008","7.3338","0.0004","90","","101.923","0.005","90","","1225.26","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-methyl-3-oxo-N-(prop-2-yn-1-yl)-2,3-dihydrobenzofuran-2-carboxamide","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C52 H52 N4 O20 -","4","1","","Brahmachari, Goutam; Karmakar, Indrajit","Visible Light-Induced and Singlet Oxygen-Mediated Photochemical Conversion of 4-Hydroxy-alpha-benzopyrones to 2-Hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxamides/carboxylates Using Rose Bengal as a Photosensitizer.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00726","","","0.71073","MoKα","","0.0662","0.0487","","","0.1143","0.133","","","","","","1.071","","","","has coordinates","253494","2020-10-21","18:00:00",""
"4038530","6.11355","0.00016","22.066","0.0007","10.8459","0.0003","90","","94.66","0.002","90","","1458.29","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","1","","Raclea, Robert-Cristian; Natho, Philipp; Allen, Lewis A. T.; White, Andrew J. P.; Parsons, Philip J.","Oxidative Deconstruction of Azetidinols to α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00986","","","1.54184","CuKα","","0.059","0.0404","","","0.0986","0.1152","","","","","","1.053","","","","has coordinates","253495","2020-10-21","18:00:00",""
"4038531","12.1028","0.0003","10.899","0.0003","18.1775","0.0005","90","","101.941","0.003","90","","2345.88","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O6 S -","- C27 H24 O6 S -","- C108 H96 O24 S4 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","x-ray","0.71073","MoKα","","0.0495","0.0395","","","0.0911","0.0994","","","","","","1.05","","","","has coordinates","253496","2020-10-21","18:00:00",""
"4038532","10.8696","0.0003","7.3461","0.0002","20.8568","0.0005","90","","101.555","0.002","90","","1631.65","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","","0.71073","MoKα","","0.0412","0.0383","","","0.0936","0.0952","","","","","","1.085","","","","has coordinates","253497","2020-10-21","18:00:00",""
"4038533","18.974","0.003","7.2666","0.0011","31.532","0.005","90","","92.709","0.002","90","","4342.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 N2 O12 S2 -","- C48 H41 N2 O12 S2 -","- C192 H164 N8 O48 S8 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","","0.71075","MoKα","","0.06","0.0519","","","0.1418","0.1484","","","","","","1.064","","","","has coordinates","253498","2020-10-21","18:00:00",""
"4038534","20.3582","0.0008","11.1376","0.0003","28.4519","0.001","90","","110.673","0.004","90","","6035.8","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C208 H256 N16 O64 S8 -","8","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","x-ray","0.71073","MoKα","","0.0653","0.0517","","","0.1402","0.1534","","","","","","1.042","","","","has coordinates","253499","2020-10-21","18:00:00",""
"4038535","13.6314","0.0004","19.2653","0.0005","14.8884","0.0004","90","","90","","90","","3909.89","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 F3 I O3 S -","- C20 H14 F3 I O3 S -","- C160 H112 F24 I8 O24 S8 -","8","2","","Caspers, Lucien; Spils, Julian; Damrath, Mattis; Lork, Enno; Nachtsheim, Boris Johannes","One-Pot Synthesis and Conformational Analysis of 6-Membered Cyclic Iodonium Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01125","","x-ray","0.71073","MoKα","","0.0372","0.0266","","","0.0497","0.053","","","","","","1.029","","","","has coordinates","253578","2020-10-21","18:00:00",""
"4038536","9.5914","0.0019","16.819","0.003","9.964","0.0019","90","","112.258","0.003","90","","1487.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","1","","Xiong, Wei; Zhang, Shengjun; Li, Huijun; Zhang, Zhifeng; Xu, Tongyu","Pd-Catalyzed Decarboxylative Cycloaddition of Vinylethylene Carbonates with Isothiocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00243","","","0.71073","MoKα","","0.0488","0.0364","","","0.0898","0.0973","","","","","","1.034","","","","has coordinates","253579","2020-10-21","18:00:00",""
"4038537","10.79064","0.00008","25.34034","0.00017","7.96505","0.00007","90","","111.012","0.0009","90","","2033.13","0.03","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C96 H108 Br4 O16 -","4","1","","Annand, James R.; Riehl, Paul S.; Schultz, Danielle M.; Schindler, Corinna S.","High-Throughput Approach toward the Development of a Mizoroki-Heck Reaction To Access Tricyclic Spirolactones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00997","","","1.54184","CuKα","","0.0294","0.0292","","","0.0772","0.0774","","","","","","1.108","","","","has coordinates","253580","2020-10-21","18:00:00",""
"4038538","12.3346","0.0004","13.865","0.0005","12.6601","0.0004","90","","102.552","0.003","90","","2113.37","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Se -","- C26 H18 N4 Se -","- C104 H72 N16 Se4 -","4","1","","Zhu, Yu-Shen; Xue, Yuting; Liu, Wannian; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Temperature-Controlled Chalcogenation and Chalcogenocyanation of Imidazopyridines in Water under Transition Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01035","","x-ray","1.54184","CuKα","","0.0564","0.0398","","","0.0896","0.1009","","","","","","1.027","","","","has coordinates","253581","2020-10-21","18:00:00",""
"4038539","11.8281","0.0003","11.8983","0.0003","19.0954","0.0005","72.31","0.002","72.182","0.002","61.141","0.002","2201.08","0.11","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H24 F3 N2 O5 P -","- C17 H24 F3 N2 O4.992 P -","- C68 H96 F12 N8 O19.968 P4 -","4","4","","Fernández-Pérez, Héctor; Lenartowicz, Paweł; Carreras Vinent, Lucas; Grabulosa, Arnald; Kafarski, Paweł; Vidal-Ferran, Anton","Access to alpha-aminophosphonic acid derivatives and phosphonopeptides by [Rh(P-OP)]-catalyzed stereoselective hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00914","","","0.71075","MoKα","","0.0733","0.0466","","","0.1216","0.1366","","","","","","1.014","","","","has coordinates,has disorder","253582","2020-10-21","18:00:00",""
"4038540","9.928","0.003","7.168","0.002","21.272","0.007","90","","92.812","0.009","90","","1512","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H15 Br F3 N O2 -","- C14 H15 Br F3 N O2 -","- C56 H60 Br4 F12 N4 O8 -","4","2","","Davies, Alyn T.; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-catalyzed enantioselective synthesis of β-trifluoromethyl-β-hydroxyamides","Beilstein Journal of Organic Chemistry","2020","16","","1572","1578","10.3762/bjoc.16.129","","","0.71075","MoKα","","0.0414","0.0378","","","0.0875","0.106","","","","","","0.874","","","","has coordinates","258193","2020-10-21","18:00:00",""
"4038541","9.5366","0.0005","11.6279","0.0007","14.9396","0.0009","99.002","0.005","108.001","0.005","90.007","0.004","1554.09","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Fe N3 O3 -","- C36 H42 Fe N3 O3 -","- C72 H84 Fe2 N6 O6 -","2","1","","Lagesse, Natalie; Pisciottani, Luca; Douarre, Maxime; Godard, Pascale; Kauffmann, Brice; Martí-Centelles, Vicente; McClenaghan, Nathan D.","Five-component, one-pot synthesis of an electroactive rotaxane comprising a bisferrocene macrocycle","Beilstein Journal of Organic Chemistry","2020","16","","1564","1571","10.3762/bjoc.16.128","","x-ray","1.54184","CuKα","","0.0556","0.0454","","","0.1116","0.118","","","","","","1.041","","","","has coordinates","258200","2020-10-21","18:00:00",""
"4038542","11.126","0.002","11.093","0.002","18.301","0.004","90","","102.45","0.03","90","","2205.6","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl O3 -","- C13 H7 Cl O3 -","- C104 H56 Cl8 O24 -","8","2","","Zhao, Guihua; Li, Biqing; Wang, Shuangshuang; Liu, Man; Chen, Yuan; Wang, Bin","PIFA-mediated dearomatizative spirocyclization of phenolic biarylic ketones via oxidation and C-C bond cleavage.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00971","","","0.71073","MoKα","","0.0542","0.0445","","","0.1173","0.1257","","","","","","1.048","","","","has coordinates","253672","2020-10-21","18:00:00",""
"4038543","10.8954","0.0004","13.6167","0.0005","12.5125","0.0005","90","","99.513","0.004","90","","1830.82","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Zhao, Sheng; Zang, Zhong-Lin; Li, Siyu; Wen, Xumei; Wang, Chenhui; Guo, Jian; He, Yun","Iridium-Catalyzed Cycloisomerization of N-Tethered 1,7-Enynes: Construction of Azabicyclo [5.1.0] octene System.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00516","","","0.71073","MoKα","","0.0649","0.0467","","","0.1113","0.1246","","","","","","1.036","","","","has coordinates","253673","2020-10-21","18:00:00",""
"4038544","21.9715","0.0015","6.3739","0.0004","12.0779","0.0007","90","","92.562","0.006","90","","1689.75","0.18","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 I O3 Si -","- C14 H23 I O3 Si -","- C56 H92 I4 O12 Si4 -","4","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","0.71073","MoKα","","0.0402","0.0356","","","0.0865","0.0883","","","","","","1.077","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038545","11.2611","0.0006","6.3708","0.0002","12.0672","0.0004","90","","105.942","0.005","90","","832.43","0.06","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0824","0.0575","","","0.126","0.1414","","","","","","1.03","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038546","19.7853","0.0003","22.1644","0.0004","10.4","0.0002","90","","90","","90","","4560.7","0.14","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H35 O5 -","- C23 H35 O5 -","- C184 H280 O40 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0414","0.0365","","","0.0935","0.0966","","","","","","1.032","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038547","17.2644","0.0004","11.1326","0.0003","23.6238","0.0005","90","","110.142","0.002","90","","4262.76","0.18","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 I O4 -","- C21 H31 I O4 -","- C168 H248 I8 O32 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0514","0.0381","","","0.0832","0.0892","","","","","","1.057","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038548","64.915","0.003","22.4355","0.0012","16.2049","0.0008","90","","90","","90","","23601","2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C21 H27 Cl O4 -","- C21 H27 Cl O4 -","- C1008 H1296 Cl48 O192 -","48","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0952","0.0641","","","0.1602","0.1814","","","","","","1.041","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038549","24.9006","0.0017","6.3095","0.0004","28.91","0.002","90","","110.855","0.002","90","","4244.5","0.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C156 H228 I12 O36 -","12","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54178","CuKα","","0.0519","0.0474","","","0.122","0.1262","","","","","","1.019","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038550","9.111","0.00015","10.58534","0.00014","48.0239","0.0007","90","","90","","90","","4631.57","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C208 H176 N32 O32 -","8","2","","Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Zou, Ying; Li, Xia; Huang, Zhi-Cheng; Tian, Fang; Wang, Li-Xin","Organocatalytic Enantioselective Michael Addition between 3-(3-hydroxy-1H-pyrazol-1-yl)Oxindole and β-Nitrostyrene for the Preparation of Chiral Di-substituted Oxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03337","","x-ray","1.54184","CuKα","","0.0467","0.0403","","","0.1085","0.1166","","","","","","1.026","","","","has coordinates","254033","2020-10-21","18:00:00",""
"4038551","8.1128","0.0009","9.3254","0.0011","17.1572","0.0018","90","","100.4","0.011","90","","1276.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dhiman, Ankit Kumar; Thakur, Ankita; Kumar, Inder; Kumar, Rakesh; Sharma, Upendra","Co(III)-Catalyzed C-H Amidation of Nitrogen Containing Heterocycles with Dioxazolones under Mild Condition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01237","","x-ray","1.54184","CuKα","","0.055","0.0447","","","0.1176","0.1289","","","","","","1.041","","","","has coordinates","254034","2020-10-21","18:00:00",""
"4038552","9.9751","0.0004","14.6491","0.0005","14.8894","0.0005","90","","93.64","0.002","90","","2171.34","0.14","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C100 H76 O8 P4 -","4","1","","Xie, Pei; Yang, Shoushan; Guo, Yuyu; Cai, Zhihua; Dai, Bin; He, Lin","Multicomponent reaction of phosphines, benzynes and CO2: facile synthesis of stable zwitterionic phosphonium inner-salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00745","","","0.71073","MoKα","","0.0791","0.0483","","","0.1025","0.1186","","","","","","1.057","","","","has coordinates","254035","2020-10-21","18:00:00",""
"4038553","10.8933","0.0005","11.5767","0.0005","11.8325","0.0006","76.19","0.004","70.082","0.004","67.095","0.004","1282.56","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","2","","Zhou, Yan; Liang, Hong; Sheng, Yaoguang; Wang, Shaoli; Gao, Yi; Zhan, Lingling; Zheng, Zhilong; Yang, Mengjie; Liang, Guang; Zhou, Jianmin; Deng, Jun; Song, Zengqiang","Ruthenium(II)-catalyzed C-H activation of chromones with maleimides to synthesize succinimide/ maleimide-containing chromones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01223","","","0.71073","MoKα","","0.0894","0.0583","","","0.1274","0.1505","","","","","","1.07","","","","has coordinates","254036","2020-10-21","18:00:00",""
"4038554","9.4336","0.0013","19.646","0.003","10.9945","0.0014","90","","106.121","0.005","90","","1957.5","0.5","152","2","152","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Chakraborty, Baitan; Kar, Abhishek; Chanda, Rupsa; Jana, Umasish","Application of Povarov Reaction in Biaryls under Iron Catalysis for the General Synthesis of Dibenzo[a, c]acridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01300","","","0.71073","MoKα","","0.1199","0.087","","","0.1877","0.2171","","","","","","1.065","","","","has coordinates","254037","2020-10-21","18:00:00",""
"4038555","9.8128","0.0004","16.744","0.0008","20.0298","0.0011","86.159","0.004","89.162","0.004","85.312","0.004","3272.5","0.3","153","0.1","153","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 N20 O22 -","- C54 H80 N20 O22 -","- C108 H160 N40 O44 -","2","1","","Oshchepkov, Aleksandr S.; Namashivaya, Siva S. R.; Khrustalev, Victor N.; Hampel, Frank; Laikov, Dimitri N.; Kataev, Evgeny A.","Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01260","","x-ray","1.54184","CuKα","","0.092","0.0731","","","0.1953","0.2126","","","","","","1.043","","","","has coordinates,has disorder","254088","2020-10-21","18:00:00",""
"4038556","25.2762","0.0008","9.5637","0.0001","24.9579","0.0008","90","","125.694","0.005","90","","4899.8","0.4","153","0.1","153","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 N14 -","- C54 H66 N14 -","- C216 H264 N56 -","4","0.5","","Oshchepkov, Aleksandr S.; Namashivaya, Siva S. R.; Khrustalev, Victor N.; Hampel, Frank; Laikov, Dimitri N.; Kataev, Evgeny A.","Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01260","","x-ray","1.54184","CuKα","","0.055","0.0504","","","0.1317","0.137","","","","","","1.038","","","","has coordinates,has disorder","254089","2020-10-21","18:00:00",""
"4038557","11.7704","0.0004","15.69","0.0005","18.6268","0.0006","90","","105.599","0.001","90","","3313.25","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H16 Cl F3 N O4 P -","- C14 H16 Cl F3 N O4 P -","- C112 H128 Cl8 F24 N8 O32 P8 -","8","1","","Mitrofanov, Alexander; Bychkova, Valentina A.; Nefedov, Sergey E.; Beletskaya, Irina P.","Selective Metal-Controlled Synthesis of Trifluoromethylated (Indolin-2-ylidene)methyl- and Quinolin-3-ylphosphonates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00913","","","0.71073","MoKα","","0.0895","0.0714","","","0.1991","0.2109","","","","","","1.072","","","","has coordinates,has disorder","254090","2020-10-21","18:00:00",""
"4038558","8.3698","0.0018","10.5488","0.0019","10.695","0.002","66.788","0.005","75.559","0.006","76.436","0.005","830.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C36 H32 N4 O4 S2 -","2","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.1898","0.0739","","","0.1554","0.2094","","","","","","0.962","","","","has coordinates","254124","2020-10-21","18:00:00",""
"4038559","7.6361","0.0015","8.1452","0.0015","14.722","0.003","95.298","0.006","90.26","0.007","113.046","0.006","838.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C38 H36 N4 O4 S2 -","2","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.0565","0.0449","","","0.1537","0.1657","","","","","","1.267","","","","has coordinates,has disorder","254125","2020-10-21","18:00:00",""
"4038560","36.176","0.005","5.6425","0.0008","15.396","0.002","90","","104.478","0.006","90","","3042.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N3 O2 S -","- C17 H15 N3 O2 S -","- C136 H120 N24 O16 S8 -","8","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.1546","0.0652","","","0.1481","0.1902","","","","","","0.96","","","","has coordinates","254126","2020-10-21","18:00:00",""
"4038561","8.285","0.003","14.446","0.005","12.198","0.004","90","","90","","90","","1459.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 S -","- C17 H13 N3 S -","- C68 H52 N12 S4 -","4","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.0402","0.0337","","","0.1047","0.1103","","","","","","0.872","","","","has coordinates","254127","2020-10-21","18:00:00",""
"4038562","9.1471","0.0006","10.2389","0.0012","10.4577","0.0009","60.722","0.01","78.914","0.006","71.326","0.008","808.58","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C38 H30 N10 O4 -","2","1","","Wang, Yingchun; Opsomer, Tomas; Van Meervelt, Luc; Dehaen, Wim","Ring-Degenerate Rearrangement Resulting from the Azo Coupling Reaction of a 3-Aryl-1,3a,6a-triazapentalene.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01153","","x-ray","0.71073","MoKα","","0.1115","0.069","","","0.1747","0.2037","","","","","","1.066","","","","has coordinates","254128","2020-10-21","18:00:00",""
"4038563","10.495","0.0006","14.6071","0.0006","17.6793","0.0006","71.132","0.003","83.894","0.004","76.917","0.004","2496.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C114 H90 N30 O12 -","6","3","","Wang, Yingchun; Opsomer, Tomas; Van Meervelt, Luc; Dehaen, Wim","Ring-Degenerate Rearrangement Resulting from the Azo Coupling Reaction of a 3-Aryl-1,3a,6a-triazapentalene.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01153","","x-ray","0.71073","MoKα","","0.1364","0.0792","","","0.2122","0.2607","","","","","","1.023","","","","has coordinates","254129","2020-10-21","18:00:00",""
"4038564","14.6337","0.001","8.212","0.0006","19.9944","0.0014","90","","95.296","0.001","90","","2392.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 S2 -","- C25 H23 N3 O5 S2 -","- C100 H92 N12 O20 S8 -","4","1","","Kumar, Chepuri V Suneel; Holyoke, Jr, Caleb W; Keller, Taylor M.; Fleming, Fraser F.","Asmic Isocyanide [3 + 2] Cascade to Dihydrooxazoles and Dihydroimidazoles.","The Journal of organic chemistry","2020","85","14","9153","9160","10.1021/acs.joc.0c01119","","","0.71073","MoKα","","0.0315","0.0289","","","0.0728","0.0742","","","","","","1.067","","","","has coordinates","254779","2020-10-21","18:00:00",""
"4038565","10.7556","0.0002","7.9327","0.0002","17.5581","0.0004","90","","96.939","0.002","90","","1487.1","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N9 O4 S2 -","- C26 H35 N9 O4 S2 -","- C52 H70 N18 O8 S4 -","2","0.5","","Zhang, Yanhan; Yan, Xiaosheng; Cao, Jinlian; Weng, Peimin; Miao, Daiyu; Li, Zhao; Jiang, Yun-Bao","Turn Conformation of β-Amino Acid Based Short Peptides Promoted by an Amidothiourea Moiety at C-Terminus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01139","","","1.54184","CuKα","","0.0441","0.0409","","","0.1068","0.1087","","","","","","1.049","","","","has coordinates,has disorder","254152","2020-10-21","18:00:00",""
"4038566","6.9345","0.0017","11.057","0.003","11.166","0.002","111.127","0.01","92.434","0.01","96.953","0.011","789.3","0.3","107","2","107","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Xiaofei; Zhu, Peiyuan; Zhang, Ruihong; Li, Xiang; Yao, Tuanli","Visible-light-induced decarboxylative cyclization of 2-alkenylarylisocyanides with α-oxocarboxylic acids: direct access to 2-acylindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00039","","","0.71073","MoKα","","0.299","0.101","","","0.2206","0.305","","","","","","1.059","","","","has coordinates","254153","2020-10-21","18:00:00",""
"4038567","21.5878","0.0004","11.8658","0.0002","23.2836","0.0003","90","","90","","90","","5964.25","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H33 N3 O6 S -","- C34 H33 N3 O6 S -","- C272 H264 N24 O48 S8 -","8","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.0702","0.0581","","","0.1548","0.1651","","","","","","1.083","","","","has coordinates","254193","2020-10-21","18:00:00",""
"4038568","9.98869","0.00017","11.08896","0.00019","13.18431","0.00011","102.245","0.0011","101.385","0.0012","115.842","0.0017","1212.66","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.039","0.0366","","","0.0969","0.0987","","","","","","1.086","","","","has coordinates","254194","2020-10-21","18:00:00",""
"4038569","8.7395","0.0006","8.783","0.0006","11.9719","0.0009","90","","95.873","0.007","90","","914.13","0.11","293","","293","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","9-desmethyl-6-aza(pBrbenzoylated)-artemisinin","","- C19 H20 Br N O6 -","- C19 H20 Br N O6 -","- C38 H40 Br2 N2 O12 -","2","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","","0.0316","","","","0.0695","","","","","","1.009","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038570","9.1976","0.0008","13.8881","0.0012","14.247","0.0013","70.634","0.005","87.276","0.006","86.347","0.006","1712.7","0.3","293","","293","","","","","","","","synthetic","5","P -1","-P 1","2","Vinylsilane Syn","Vinylsilane Intermediate","","- C33 H55 N O5 Si -","- C33 H55 N O5 Si -","- C66 H110 N2 O10 Si2 -","2","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","","0.0591","","","","0.1875","","","","","","1.028","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038571","10.1639","0.0007","6.2896","0.0004","22.0115","0.0018","90","","93.038","0.007","90","","1405.15","0.18","296","","296","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","6-aza-ART","6-aza-artemisinin","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","2","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","0.0875","0.0571","","","0.1349","0.1524","","","","","","1.035","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038572","8.848","0.004","13.727","0.005","11.346","0.005","90","0.002","111.621","0.002","90","0.002","1281.1","0.9","153.1","","153.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.7107","MoKα","","","0.0484","","","","0.1367","","","","","","1.349","","","","has coordinates","254247","2020-10-21","18:00:00",""
"4038573","9.47937","0.00005","21.40602","0.00008","18.35435","0.00009","90","","93.8774","0.0003","90","","3715.86","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","2","","Wang, Qian; Tuinhof, Jesse; Mgimpatsang, Kumchok C.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Copper-Catalyzed Modular Assembly of Polyheterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01238","","x-ray","1.54184","CuKα","","0.0387","0.0362","","","0.0901","0.092","","","","","","1.039","","","","has coordinates","254248","2020-10-21","18:00:00",""
"4038574","9.2121","0.0001","38.932","0.0005","8.1281","0.0001","90","","114.645","0.002","90","","2649.57","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O2 -","- C32 H30 N4 O2 -","- C128 H120 N16 O8 -","4","1","","Faltracco, Matteo; Sukowski, Verena; van Druenen, Max; Hamlin, Trevor A.; Bickelhaupt, F. Matthias; Ruijter, Eelco","Diastereoselective Synthesis of β-Lactams by Ligand-Controlled Stereodivergent Intramolecular Tsuji-Trost Allylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00575","","x-ray","1.54184","CuKα","","0.0517","0.0446","","","0.1073","0.1137","","","","","","1.011","","","","has coordinates,has disorder","254249","2020-10-21","18:00:00",""
"4038575","8.9005","0.0003","15.1026","0.0004","17.357","0.0005","90","","90","","90","","2333.14","0.12","78","2","78","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C108 H108 O12 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.71073","MoKα","","0.0303","0.0286","","","0.0752","0.0768","","","","","","1.057","","","","has coordinates","254250","2020-10-21","18:00:00",""
"4038576","8.9034","0.0017","11.952","0.002","16.993","0.003","90","","90","","90","","1808.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 O7 P S -","- C14 H25 O7 P S -","- C56 H100 O28 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.4118","synchrotron","","0.0248","0.0247","","","0.0659","0.066","","","","","","1.04","","","","has coordinates","254251","2020-10-21","18:00:00",""
"4038577","11.29","0.0004","15.0614","0.0004","19.1778","0.0008","90","","93.217","0.003","90","","3255.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Co2 N O8 Si -","- C32 H29 Co2 N O8 Si -","- C128 H116 Co8 N4 O32 Si4 -","4","1","","Kang, Zhenghui; Shou, Jiayi; Xing, Dong; Hu, Wenhao","Rh(II)/Ag(I) co-catalyzed three-component reaction via SN1/SN1'-type trapping of oxonium ylide with Nicholas intermediate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01162","","x-ray","1.54184","CuKα","","0.0761","0.0587","","","0.1549","0.1676","","","","","","1.019","","","","has coordinates","254252","2020-10-21","18:00:00",""
"4038578","10.4936","0.0004","20.3829","0.0009","10.7259","0.0005","90","","90","","90","","2294.16","0.17","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F8 I2 O4 -","- C18 H12 F8 I2 O4 -","- C72 H48 F32 I8 O16 -","4","1","","Yasumoto, Kento; Kano, Taichi; Maruoka, Keiji","Synthesis of Electron-Deficient Chiral Biphenols and Their Applica-tions in Catalytic Asymmetric Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01116","","","1.54187","CuKα","","0.0508","0.0436","","","0.1137","0.1225","","","","","","0.83","","","","has coordinates","254253","2020-10-21","18:00:00",""
"4038579","18.894","0.008","12.886","0.006","11.479","0.005","90","","92.493","0.009","90","","2792","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N S2 -","- C16 H12 N S2 -","- C128 H96 N8 S16 -","8","1","","Li, Ling; Chen, Qian; Xu, Honghui; Zhang, Xiao-Hong; Zhang, Xing-Guo","DBU-Promoted Demethoxylative Thioannulation of Alkynyl Oxime Ethers with Sulfur for the Synthesis of Bisisothiazole-4-yl Disulfides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01334","","","0.71073","MoKα","","0.0664","0.0552","","","0.1967","0.2083","","","","","","1.081","","","","has coordinates","254322","2020-10-21","18:00:00",""
"4038580","11.9761","0.0003","9.3925","0.0002","25.5523","0.0006","90","","102.852","0.002","90","","2802.26","0.12","100","0.11","100","0.11","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 F4 N4 -","- C30 H36 F4 N4 -","- C120 H144 F16 N16 -","4","1","","Zhang, Rui; Zhang, Zhikun; Wang, Kang; Wang, Jianbo","Difluoroketenimine: Generation from Difluorocarbene and Isocyanide, and Its [3+2] Cycloadditions with Alkenes or Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01120","","x-ray","0.71073","MoKα","","0.0478","0.0453","","","0.115","0.116","","","","","","1.184","","","","has coordinates","254323","2020-10-21","18:00:00",""
"4038581","8.1747","0.0003","8.6211","0.0004","9.3514","0.0004","98.774","0.004","93.882","0.003","91.418","0.003","649.42","0.05","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 F N2 -","- C15 H15 F N2 -","- C30 H30 F2 N4 -","2","1","","Zhang, Rui; Zhang, Zhikun; Wang, Kang; Wang, Jianbo","Difluoroketenimine: Generation from Difluorocarbene and Isocyanide, and Its [3+2] Cycloadditions with Alkenes or Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01120","","x-ray","0.71073","MoKα","","0.0596","0.0484","","","0.1273","0.1344","","","","","","1.062","","","","has coordinates","254324","2020-10-21","18:00:00",""
"4038582","5.9126","0.0003","12.16","0.0006","20.6164","0.001","90","","90","","90","","1482.26","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0272","0.0269","","","0.0722","0.0724","","","","","","1.06","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038583","5.9884","0.0002","13.6655","0.0005","18.8441","0.0007","90","","90","","90","","1542.1","0.1","100","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0318","0.0301","","","0.076","0.0774","","","","","","1.054","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038584","11.0048","0.0002","11.0048","0.0002","17.676","0.0003","90","","90","","120","","1853.87","0.06","100","","100","","","","","","","","","4","P 32","P 32","145","","","","- C26 H45 O3 P -","- C26 H45 O3 P -","- C78 H135 O9 P3 -","3","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0269","0.0266","","","0.0693","0.0697","","","","","","1.049","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038585","6.3103","0.0003","12.1035","0.0007","19.3802","0.0011","90","","90","","90","","1480.2","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 O2 P -","- C14 H27 O2 P -","- C56 H108 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0872","0.0915","","","","","","1.037","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038586","12.164","0.006","17.59","0.008","38.736","0.019","90","","90","","90","","8288","7","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 O2 P -","- C28 H47 O2 P -","- C336 H564 O24 P12 -","12","3","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.1022","0.0614","","","0.1149","0.1322","","","","","","1.005","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038587","5.9712","0.0009","12.238","0.002","22.345","0.004","90","","90","","90","","1632.9","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 O2 P -","- C16 H29 O2 P -","- C64 H116 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.0409","0.0365","","","0.0865","0.089","","","","","","1.043","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038588","9.4768","0.0004","10.3802","0.0005","10.6661","0.0005","84.849","0.001","66.399","0.001","79.726","0.001","945.86","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Hwu, Jih Ru; Roy, Animesh; Panja, Avijit; Huang, Wen-Chieh; Hu, Yu-Chen; Tan, Kui-Thong; Lin, Chun-Cheng; Hwang, Kuo Chu; Hsu, Ming-Hua; Tsay, Shwu-Chen","Domino Reaction for the Synthesis of Polysubstituted Pyrroles and Lamellarin R.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01134","","","0.71073","MoKα","","0.053","0.0406","","","0.0983","0.1066","","","","","","1.042","","","","has coordinates,has disorder","254357","2020-10-21","18:00:00",""
"4038589","15.945","0.0003","8.13292","0.00013","27.6436","0.0005","90","","95.2369","0.0019","90","","3569.84","0.11","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C184 H152 N8 O32 -","8","2","","Kazim, Muhammad; Guan, Liangyu; Chopra, Anant; Sun, Roy; Siegler, Maxime A.; Lectka, Thomas","Switching a HO···π Interaction to a Nonconventional OH···π Hydrogen Bond: A Completed Crystallographic Puzzle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01121","","","1.54178","CuKα","","0.0703","0.0528","","","0.1322","0.1421","","","","","","1.046","","","","has coordinates,has disorder","254358","2020-10-21","18:00:00",""
"4038590","6.8083","0.0006","15.0243","0.001","34.886","0.002","90","","90","","90","","3568.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 F3 N3 O2 -","- C20 H16 F3 N3 O2 -","- C160 H128 F24 N24 O16 -","8","2","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0582","0.0513","","","0.1395","0.1455","","","","","","1.049","","","","has coordinates","254359","2020-10-21","18:00:00",""
"4038591","10.1231","0.0005","10.3591","0.0006","24.2386","0.0012","90","","90","","90","","2541.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 N3 O5 S -","- C27 H22 F3 N3 O5 S -","- C108 H88 F12 N12 O20 S4 -","4","1","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0494","0.039","","","0.1076","0.1283","","","","","","0.906","","","","has coordinates","254360","2020-10-21","18:00:00",""
"4038592","6.804","0.0011","12.317","0.002","17.084","0.003","90","","90","","90","","1431.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Shatsauskas, Anton L.; Mamonova, Tatyana E.; Stasyuk, Anton J.; Chernenko, Sergey A.; Slepukhin, Pavel A.; Kostyuchenko, Anastasia S.; Fisyuk, Alexander Semenovich","A rearrangement of 7-aryloxazolo[5,4-b]pyridines to benzo[c][1,7]naphthyridine-4(3H)-ones and thieno[3,2-c][1,7]naphthyridine-6(7H)-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01299","","","0.71073","MoKα","","0.1614","0.0557","","","0.0982","0.1428","","","","","","0.981","","","","has coordinates","254441","2020-10-21","18:00:00",""
"4038593","7.8473","0.0004","7.4755","0.0004","24.8721","0.0013","90","","94.13","0.001","90","","1455.27","0.13","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 F6 N0 O2 S4 -","- C30 H22 F6 O2 S4 -","- C60 H44 F12 O4 S8 -","2","0.5","","Soni, Sonam; Pali, Pragya; Ansari, Monish Arbaz; Singh, Maya Shankar","Visible-Light Photocatalysis of Eosin Y: HAT and Complementing MS-CPET Strategy to Trifluoromethylation of β-Ketodithioesters with Langlois' Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01355","","","0.71073","MoKα","","0.0551","0.0442","","","0.1113","0.1192","","","","","","1.03","","","","has coordinates","254442","2020-10-21","18:00:00",""
"4038594","20.2904","0.001","6.2175","0.0003","11.6198","0.0005","90","","101.089","0.004","90","","1438.53","0.12","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C56 H72 N8 O12 S4 -","4","1","","Fujiu, Motohiro; Yokoo, Katsuki; Aoki, Toshiaki; Shibuya, Satoru; Sato, Jun; Komano, Kazuo; Kusano, Hiroki; Sato, Soichiro; Ogawa, Masayoshi; Yamawaki, Kenji","Synthesis of 2-Thio-Substituted 1,6-Diazabicyclo[3.2.1]octane Derivatives, Potent β-Lactamase Inhibitors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00980","","x-ray","1.54184","CuKα","","0.0443","0.0441","","","0.107","0.1071","","","","","","1.048","","","","has coordinates","254443","2020-10-21","18:00:00",""
"4038595","11.9289","0.0004","8.8193","0.0003","16.9246","0.0006","90","","100.021","0.002","90","","1753.38","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H41 N O5 S -","- C42 H41 N O5 S -","- C84 H82 N2 O10 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","1.54178","CuKα","","0.0433","0.0393","","","0.0872","0.0896","","","","","","1.059","","","","has coordinates,has disorder","254444","2020-10-21","18:00:00",""
"4038596","5.9632","0.0002","18.9516","0.0009","15.9602","0.0007","90","","95.889","0.002","90","","1794.18","0.13","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H33 N O9 S -","- C42 H33 N O9 S -","- C84 H66 N2 O18 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","0.71073","MoKα","","0.0659","0.0412","","","0.0757","0.0852","","","","","","1.041","","","","has coordinates","254445","2020-10-21","18:00:00",""
"4038597","18.8334","0.0003","17.4964","0.0003","19.2021","0.0003","90","","90","","90","","6327.41","0.18","302","2","302.61","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H43 N3 O8 -","- C30 H43 N3 O8 -","- C240 H344 N24 O64 -","8","1","","Zhang, Mengsi; Li, Baojun; Chen, Huimin; Lu, Haotian; Ma, Hailong; Cheng, Xiaoyu; Wang, Wenbo; Wang, Yue; Ding, Yun; Hu, Aiguo","Triggering the Antitumor Activity of Acyclic Enediyne through Maleimide Assisted Rearrangement and Cycloaromatization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01124","","","1.34139","GaKα","","0.0559","0.0443","","","0.1143","0.1231","","","","","","1.042","","","","has coordinates","254484","2020-10-21","18:00:00",""
"4038598","11.6878","0.0004","12.5438","0.0004","13.3312","0.0004","70.9079","0.0014","72.8568","0.0015","81.449","0.0016","1761.95","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H29 Br2 N3 O5 S2 -","- C34 H29 Br2 N3 O5 S2 -","- C68 H58 Br4 N6 O10 S4 -","2","1","","Dhanasekar, Elumalai; Kannan, Tharanikkarasu; Venkatesan, Ragavan; Perumal, Paramasivam Thirumalai; Kamalraja, Jayabal","Metal-Free and Regioselective Synthesis of Substituted and Fused Chromenopyrrole Scaffolds via Divergent Reactivity of α-Azido Ketone in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00978","","","0.71073","MoKα","","0.0982","0.0531","","","0.1262","0.1477","","","","","","1.034","","","","has coordinates","254485","2020-10-21","18:00:00",""
"4038599","6.5595","0.0012","10.6346","0.0019","13.94","0.003","108.236","0.002","94.37","0.002","99.634","0.002","901.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 B N2 O3 -","- C20 H19 B N2 O3 -","- C40 H38 B2 N4 O6 -","2","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0553","0.0498","","","0.1816","0.1954","","","","","","1.036","","","","has coordinates","254516","2020-10-21","18:00:00",""
"4038600","12.151","0.007","6.869","0.004","20.974","0.011","90","","104.652","0.007","90","","1693.7","1.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B N5 O6 -","- C15 H16 B N5 O6 -","- C60 H64 B4 N20 O24 -","4","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.262","0.09","","","0.1732","0.2432","","","","","","0.906","","","","has coordinates","254518","2020-10-21","18:00:00",""
"4038601","8.303","0.002","9.935","0.003","21.623","0.006","90","","97.49","0.004","90","","1768.5","0.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B Cl3 N4 O2 S -","- C12 H14 B Cl3 N4 O2 S -","- C48 H56 B4 Cl12 N16 O8 S4 -","4","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.1146","0.0575","","","0.1461","0.1744","","","","","","1.021","","","","has coordinates","254519","2020-10-21","18:00:00",""
"4038602","9.6949","0.0009","12.4853","0.0011","15.2894","0.0014","100.708","0.001","95.767","0.001","97.285","0.001","1789.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 B N3 O5 -","- C19 H16 B N3 O5 -","- C76 H64 B4 N12 O20 -","4","2","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0489","0.0423","","","0.1169","0.1222","","","","","","1.047","","","","has coordinates","254520","2020-10-21","18:00:00",""
"4038603","3.7451","0.0011","7.501","0.002","21.773","0.006","90","","92.94","0.004","90","","610.8","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 B N3 O5 -","- C12 H10 B N3 O5 -","- C24 H20 B2 N6 O10 -","2","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0378","0.0344","","","0.0862","0.0881","","","","","","1.037","","","","has coordinates","254521","2020-10-21","18:00:00",""
"4038604","13.081","0.007","15.69","0.004","16.982","0.004","116.092","0.003","97.851","0.004","101.938","0.004","2958","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 B N3 O2 -","- C15 H18 B N3 O2 -","- C120 H144 B8 N24 O16 -","8","4","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.1923","0.0757","","","0.1667","0.2232","","","","","","0.924","","","","has coordinates","254522","2020-10-21","18:00:00",""
"4038605","9.9459","0.0011","10.0372","0.0015","10.2116","0.0012","85.58","0.011","72.746","0.01","67.106","0.012","896","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O -","- C26 H17 N O -","- C52 H34 N2 O2 -","2","1","","Hua, Yiwen; Chen, Zi-Yan; Diao, Hanying; Zhang, Lianpeng; Qiu, Guanyinsheng; Gao, Xiaoxing; Zhou, Hongwei","Copper Catalyzed Preparation of Benzo[3,4]indolo[1,2-b]isoquinoline-8-ones and Photoluminescence Exploration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00936","","x-ray","1.54184","CuKα","","0.0571","0.0437","","","0.1134","0.1242","","","","","","1.03","","","","has coordinates","254559","2020-10-21","18:00:00",""
"4038606","9.2416","0.0005","18.9953","0.0011","14.738","0.0007","90","","103.756","0.005","90","","2513","0.2","292.9","0.1","292.9","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O -","- C32 H26 N2 O -","- C128 H104 N8 O4 -","4","1","","Du, Li-Juan; Zhang, Yuecheng; Zhang, Hong-Yu; Yin, Guohui; Wang, Xiao-Yan; Zhao, Jiquan; Han, Ya-Ping","Synthesis of 1,6-Dihydropyridine-3-carbonitrile Derivatives via Lewis Acid-Catalyzed Annulation of Propargylic Alcohols with (E)-3-amino-3-phenylacrylonitriles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01171","","x-ray","0.71073","MoKα","","0.1375","0.0868","","","0.1871","0.2198","","","","","","1.043","","","","has coordinates","254560","2020-10-21","18:00:00",""
"4038607","9.1035","0.0003","9.7637","0.0003","13.8594","0.0004","94.342","0.002","106.336","0.002","116.57","0.003","1027.74","0.07","295.9","0.3","295.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 I O2 S2 -","- C21 H19 I O2 S2 -","- C42 H38 I2 O4 S4 -","2","1","","Jian, Xue; Bai, Li-Gang; Zhang, Liang; Zhou, Yue; Lin, Xiao-Long; Mou, Neng-Jie; Xiao, Dong-Rong; Luo, Qun-Li","One-Pot Synthesis of 2,4-Diacyl Thiophenes from α-Oxo Ketene Dithioacetals and Propargylic Alcohols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01093","","x-ray","1.54184","CuKα","","0.0676","0.0659","","","0.1721","0.1763","","","","","","1.041","","","","has coordinates","254589","2020-10-21","18:00:00",""
"4038608","5.6895","0.0002","12.5824","0.0005","25.6234","0.001","90","","90","","90","","1834.32","0.12","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F3 N O6 -","- C18 H22 F3 N O6 -","- C72 H88 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0245","0.0235","","","0.0581","0.0588","","","","","","1.069","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038609","8.6589","0.0002","9.9867","0.0002","20.1991","0.0005","90","","90","","90","","1746.69","0.07","102","2","102","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F3 N O5 -","- C18 H20 F3 N O5 -","- C72 H80 F12 N4 O20 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0302","0.0284","","","0.0631","0.0641","","","","","","1.082","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038610","8.113","0.005","9.611","0.005","18.867","0.005","90","0.005","90","0.005","90","0.005","1471.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O4 -","- C15 H16 F3 N O4 -","- C60 H64 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0225","0.0221","","","0.0565","0.0569","","","","","","1.08","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038611","8.8728","0.0004","11.3215","0.0005","13.0054","0.0006","90","","90","","90","","1306.44","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 F3 N O6 -","- C10 H16 F3 N O6 -","- C40 H64 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0259","0.0247","","","0.0641","0.0652","","","","","","1.045","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038612","8.26","0.005","10.089","0.005","18.565","0.005","90","0.005","90","0.005","90","0.005","1547.1","1.3","101","2","101","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F3 N O4 -","- C16 H18 F3 N O4 -","- C64 H72 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0238","0.0233","","","0.0605","0.0612","","","","","","1.043","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038613","10.5277","0.0009","16.5073","0.0015","19.0274","0.0016","90","","90","","90","","3306.7","0.5","100","2","100.02","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F3 N O3 -","- C16 H14 Cl2 F3 N O3 -","- C128 H112 Cl16 F24 N8 O24 -","8","2","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.035","0.0317","","","0.0682","0.0702","","","","","","1.088","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038614","13.4894","0.0001","6.9863","0.0001","18.057","0.0002","90","","96.75","0.001","90","","1689.91","0.03","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","x-ray","1.54184","CuKα","","0.0425","0.0402","","","0.108","0.11","","","","","","1.099","","","","has coordinates","254605","2020-10-21","18:00:00",""
"4038615","9.7358","0.0002","24.4825","0.0003","7.6319","0.0001","90","","100.777","0.001","90","","1787.03","0.05","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","x-ray","1.54184","CuKα","","0.0519","0.0489","","","0.1359","0.1391","","","","","","1.053","","","","has coordinates","254606","2020-10-21","18:00:00",""
"4038616","12.4873","0.0018","14.046","0.002","29.563","0.004","90","","90","","90","","5185.3","1.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C208 H328 N8 O40 Si8 -","8","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","","0.71075","MoKα","","","0.0665","","","","0.18","","","","","","1.085","","","","has coordinates","254607","2020-10-21","18:00:00",""
"4038617","12.769","0.0015","5.7458","0.0007","31.33","0.004","90","","90","","90","","2298.6","0.5","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0535","0.0486","","","0.1211","0.1248","","","","","","1.063","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038618","28.3527","0.0007","6.0676","0.0001","14.7772","0.0004","90","","93.381","0.001","90","","2537.74","0.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 O4.5 -","- C13 H19 O4.5 -","- C104 H152 O36 -","8","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.046","0.0414","","","0.1124","0.1173","","","","","","1.053","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038619","6.3257","0.0003","7.1917","0.0003","20.208","0.001","90","","98.685","0.003","90","","908.77","0.07","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 O5 Si -","- C16 H32 O5 Si -","- C32 H64 O10 Si2 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","1.34139","GaKα","","0.0405","0.0357","","","0.0782","0.0814","","","","","","1.062","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038620","6.7174","0.0004","7.3675","0.0005","14.6311","0.0008","90","","95.693","0.002","90","","720.53","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C30 H52 O8 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0367","0.0329","","","0.0794","0.0829","","","","","","1.017","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038621","7.6652","0.0003","10.2251","0.0003","10.0678","0.0004","90","","97.411","0.003","90","","782.5","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.75 H1.88 N0.12 O0.12 -","- C2.75 H1.875 N0.125 O0.125 -","- C44 H30 N2 O2 -","16","8","","Lyu, Xue-Li; Huang, Shi-Sheng; Huang, Yuan-Qiong; Li, Yongqiang; Song, Hong-Jian; Liu, Yuxiu; Wang, Qingmin","Rhodium(III)-Catalyzed Direct Coupling of Quinoline-8-Carbaldehydes with (Het)Arylboronic Acids for the Synthesis of 8-Aryloylquinolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01490","","","0.71073","MoKα","","0.0334","0.0317","","","0.0834","0.0855","","","","","","1.001","","","","has coordinates","254627","2020-10-21","18:00:00",""
"4038622","13.4947","0.0003","14.2983","0.0004","16.9696","0.0005","67.4217","0.0011","72.7655","0.001","81.2908","0.001","2884.97","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H74 Cl2 N6 O6 S6 -","- C58 H74 Cl2 N6 O6 S6 -","- C116 H148 Cl4 N12 O12 S12 -","2","1","","Etkind, Samuel I.; Vander Griend, Douglas A.; Swager, Timothy M.","Electroactive Anion Receptor with High Affinity for Arsenate","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01206","","","0.71073","MoKα","","0.0566","0.0407","","","0.0988","0.109","","","","","","1.037","","","","has coordinates","254628","2020-10-21","18:00:00",""
"4038623","12.9213","0.0003","16.017","0.0003","20.8553","0.0004","104.882","0.001","91.17","0.001","90.245","0.001","4170.37","0.15","170","2","170","","","","","","","","","5","P 1","P 1","1","","","","- C49 H36 F N3 O3 -","- C49 H36 F N3 O3 -","- C196 H144 F4 N12 O12 -","4","4","","Chen, Ke-Wei; Wang, Zhao-Shan; Wu, Ping; Yan, Xin-Yu; Zhang, Shu; Zhang, Yu-Chen; Shi, Feng","Catalytic Asymmetric Synthesis of 3,3'-Bisindoles Bearing Single Axial Chirality.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01528","","","1.34139","GaKα","","0.0736","0.0508","","","0.1147","0.1286","","","","","","1.033","","","","has coordinates","254629","2020-10-21","18:00:00",""
"4038624","7.3169","0.0001","21.1822","0.0002","21.2038","0.0002","90","","90","","90","","3286.34","0.06","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C23 H22 -","- C23 H22 -","- C184 H176 -","8","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0925","0.0942","","","","","","1.025","","","","has coordinates","254659","2020-10-21","18:00:00",""
"4038625","11.0596","0.0002","8.4681","0.0001","33.2511","0.0005","90","","99.015","0.001","90","","3075.62","0.08","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 -","- C21 H20 -","- C168 H160 -","8","2","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","","1.54178","CuKα","","0.0405","0.0383","","","0.0925","0.0938","","","","","","1.076","","","","has coordinates","254660","2020-10-21","18:00:00",""
"4038626","11.7922","0.0002","7.3144","0.0001","23.5196","0.0003","90","","91.718","0.001","90","","2027.72","0.05","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0257","0.0256","","","0.0692","0.0693","","","","","","1.057","","","","has coordinates","254661","2020-10-21","18:00:00",""
"4038627","9.4761","0.0001","9.698","0.0001","23.3128","0.0003","90","","97.566","0.001","90","","2123.78","0.04","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 -","- C32 H22 -","- C128 H88 -","4","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0348","0.034","","","0.0826","0.0833","","","","","","1.029","","","","has coordinates","254662","2020-10-21","18:00:00",""
"4038628","12.742","0.003","9.0469","0.0019","26.924","0.006","90","","96.544","0.009","90","","3083.5","1.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H25 F6 N O9 S2 -","- C28 H25 F6 N O9 S2 -","- C112 H100 F24 N4 O36 S8 -","4","2","","Chu, Ming-Ming; Chen, Xue-Yang; Wang, Yi-Feng; Qi, Suo-Suo; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan","Regio- and Enantioselective Friedel-Crafts Benzhydrylation of Indoles in Carbocyclic Ring with ortho-Quinomethanes: Access to Chiral Diarylindolylmethanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03479","","","0.71073","MoKα","","0.1251","0.0878","","","0.2305","0.2687","","","","","","1.034","","","","has coordinates","254685","2020-10-21","18:00:00",""
"4038629","9.238","0.0007","11.0371","0.0009","12.9522","0.0007","104.269","0.006","101.676","0.005","98.093","0.006","1227.84","0.16","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Br N O3 S -","- C28 H20 Br N O3 S -","- C56 H40 Br2 N2 O6 S2 -","2","1","","Chen, Zhan; Jin, Shengnan; Jiang, Wenyao; Zhu, Feimin; Chen, Yuqi; Zhao, Yingwei","Multicomponent Synthesis of Iminocoumarins via Rhodium-Catalyzed C-H Bond Activation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01303","","x-ray","0.71073","MoKα","","0.0699","0.0433","","","0.0937","0.1101","","","","","","1.0518","","","","has coordinates","254686","2020-10-21","18:00:00",""
"4038630","13.41972","0.00009","13.53829","0.00009","13.78246","0.00009","90","","90","","90","","2504","0.03","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O5 -","- C28 H38 O5 -","- C112 H152 O20 -","4","1","","Elsayed, Somayah; Genta-Jouve, Gregory; Carrión, Víctor; Nibbering, Peter; Siegler, Maxime A.; de Boer, Wietse; Hankemeier, Thomas; van Wezel, Gilles P.","Atypical Spirotetronate Polyketides Identified in the Under-explored Genus Streptacidiphilus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01210","","","1.54178","CuKα","","0.0246","0.0245","","","0.0632","0.0633","","","","","","1.053","","","","has coordinates","254708","2020-10-21","18:00:00",""
"4038631","15.4794","0.0004","11.3565","0.0003","17.3278","0.0004","90","","100.282","0.001","90","","2997.17","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Cl2 -","- C42 H26 Cl2 -","- C168 H104 Cl8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0437","0.0364","","","0.0892","0.0938","","","","","","1.007","","","","has coordinates","254709","2020-10-21","18:00:00",""
"4038632","14.1264","0.0003","11.2302","0.0003","20.1932","0.0005","90","","108.151","0.001","90","","3044.09","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 O2 -","- C44 H32 O2 -","- C176 H128 O8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0479","0.0407","","","0.1006","0.1059","","","","","","1.027","","","","has coordinates,has disorder","254710","2020-10-21","18:00:00",""
"4038633","13.4014","0.0003","16.7991","0.0004","17.6974","0.0004","90","","94.059","0.001","90","","3974.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 Cl2 -","- C56 H40 Cl2 -","- C224 H160 Cl8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0578","0.0511","","","0.1252","0.1296","","","","","","1.053","","","","has coordinates,has disorder","254711","2020-10-21","18:00:00",""
"4038634","8.2755","0.0003","10.0566","0.0004","14.2145","0.0006","96.365","0.003","98.489","0.003","108.418","0.004","1094.34","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl N O4 -","- C20 H12 Cl N O4 -","- C40 H24 Cl2 N2 O8 -","2","1","","Joshi, Dirgha Raj; Seo, Yohan; Heo, Yunkyung; Park, So-Hyeon; Lee, Yechan; Namkung, Wan; Kim, Ikyon","Domino [4+2] Annulation Access to Quinone-Indolizine Hybrids: Anticancer N-Fused Polycycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01291","","x-ray","0.71073","MoKα","","0.0656","0.0553","","","0.1689","0.1782","","","","","","1.062","","","","has coordinates","254712","2020-10-21","18:00:00",""
"4038635","6.3409","0.0002","15.7289","0.0006","21.5122","0.0009","90","","90","","90","","2145.53","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Br N2 O4 -","- C26 H21 Br N2 O4 -","- C104 H84 Br4 N8 O16 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.0779","0.0569","","","0.1162","0.1268","","","","","","1.045","","","","has coordinates","254736","2020-10-21","18:00:00",""
"4038636","9.4438","0.0002","12.2974","0.0002","18.032","0.0004","90","","90","","90","","2094.13","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O2 -","- C23 H25 Br N2 O2 -","- C92 H100 Br4 N8 O8 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.077","0.0674","","","0.1235","0.1305","","","","","","1.066","","","","has coordinates","254737","2020-10-21","18:00:00",""
"4038637","11.7533","0.001","7.0684","0.0006","28.577","0.002","90","","98.767","0.003","90","","2346.4","0.3","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C120 H104 O16 -","4","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0518","0.0425","","0.111","0.1039","0.1108","","","","","","1.0047","","","","has coordinates","254743","2020-10-21","18:00:00",""
"4038638","10.1603","0.0006","14.3842","0.0007","29.7704","0.0018","90","","90","","90","","4350.9","0.4","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O4 -","- C30 H18 O4 -","- C240 H144 O32 -","8","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0759","0.0436","","0.1038","0.0895","0.1036","","","","","","0.9672","","","","has coordinates","254744","2020-10-21","18:00:00",""
"4038639","8.2499","0.0004","16.3857","0.0008","23.2184","0.0009","90","","91.583","0.002","90","","3137.5","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N O2 S -","- C43 H29 N O2 S -","- C172 H116 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.09","0.0514","","","0.1028","0.1225","","","","","","1.039","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038640","19.4003","0.0009","8.8494","0.0004","21.4549","0.001","90","","110.588","0.001","90","","3448.2","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Cl3 N O2 S -","- C44 H28 Cl3 N O2 S -","- C176 H112 Cl12 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.0931","0.0757","","","0.1898","0.2024","","","","","","1.06","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038641","21.308","0.007","10.085","0.002","8.125","0.002","90","","95.72","0.02","90","","1737.3","0.8","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N O -","- C24 H14 F3 N O -","- C96 H56 F12 N4 O4 -","4","1","","Zhang, Yu; Yu, Yue; Liang, Bing-Bing; Pei, Yong-Yan; Liu, Xiang; Yao, Hua-Gang; Cao, Hua","Synthesis of Pyrrolo[2,1,5-cd]indolizine Rings via Visible-Light-Induced Intermolecular [3+2] Cycloaddition of Indolizines and Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01253","","x-ray","0.71073","MoKα","","0.1077","0.0883","","","0.1954","0.2242","","","","","","1.15","","","","has coordinates","254809","2020-10-21","18:00:00",""
"4038642","6.9037","0.0003","10.4256","0.0004","15.9906","0.0007","75.052","0.002","81.967","0.002","79.048","0.002","1086.72","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 Cl N4 -","- C27 H23 Cl N4 -","- C54 H46 Cl2 N8 -","2","1","","Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long","C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01454","","","0.71073","MoKα","","0.0607","0.0397","","","0.0898","0.1011","","","","","","1.043","","","","has coordinates","254810","2020-10-21","18:00:00",""
"4038643","8.0093","0.0009","13.7121","0.0017","17.661","0.002","90","","102.821","0.003","90","","1891.2","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl F3 N3 -","- C21 H17 Cl F3 N3 -","- C84 H68 Cl4 F12 N12 -","4","1","","Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long","C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01454","","","0.71073","MoKα","","0.1416","0.0759","","","0.1272","0.1565","","","","","","1.071","","","","has coordinates","254811","2020-10-21","18:00:00",""
"4038644","14.7629","0.0006","13.4736","0.0005","8.8054","0.0003","90","","90","","90","","1751.48","0.11","250","2","250","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H16 Cl2 N2 O6 -","- C17 H16 Cl2 N2 O6 -","- C34 H32 Cl4 N4 O12 -","2","0.5","","Sun, Guodong; Wang, Zhongqing; Luo, Zhonghua; Lin, YiCao; Deng, Zhuofei; Li, Ridong; Zhang, Jiancun","Design, Synthesis and Resolution of Spirocyclic Bisoxindoles Based C2-Symmetric Diols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01155","","","0.71073","MoKα","","0.1081","0.098","","","0.296","0.3139","","","","","","1.366","","","","has coordinates","254841","2020-10-21","18:00:00",""
"4038645","28.9222","0.001","7.8099","0.0003","31.9633","0.001","90","","113.747","0.002","90","","6608.6","0.4","110","2","110.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H54 O5 Si3 -","- C26 H54 O5 Si3 -","- C208 H432 O40 Si24 -","8","2","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","1.54178","CuKα","","0.0491","0.0436","","","0.1034","0.1076","","","","","","1.073","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038646","7.858","0.0016","31.257","0.006","28.576","0.006","90","","90","0.01","90","","7019","2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H55.75 O6 Si3 -","- C27 H55.75 O6.00025 Si3 -","- C216 H446 O48.002 Si24 -","8","4","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","0.710751","Synchrotron","","0.1062","0.0979","","","0.2425","0.2594","","","","","","1.026","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038647","14.5692","0.0007","16.642","0.0008","37.323","0.0017","90","","90","","90","","9049.4","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 Eu2 N4 O9 -","- C94 H104 Eu2 N4 O9 -","- C376 H416 Eu8 N16 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0322","0.0287","","","0.0683","0.0699","","","","","","1.039","","","","has coordinates","255135","2020-10-21","18:00:00",""
"4038648","14.6007","0.001","16.7977","0.0011","37.486","0.003","90","","90","","90","","9193.7","1.1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 N4 Nd2 O9 -","- C94 H104 N4 Nd2 O9 -","- C376 H416 N16 Nd8 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0598","0.0427","","","0.0814","0.0862","","","","","","1.051","","","","has coordinates","255136","2020-10-21","18:00:00",""
"4038649","14.5715","0.0011","16.3015","0.0013","36.96","0.003","90","","90","","90","","8779.4","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H106 N4 O10 Y2 -","- C94 H106 N4 O10 Y2 -","- C376 H424 N16 O40 Y8 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.1063","0.0715","","","0.1512","0.1631","","","","","","1.067","","","","has coordinates","255137","2020-10-21","18:00:00",""
"4038650","12.2177","0.0004","12.0514","0.0004","12.2819","0.0004","90","","90.36","0.001","90","","1808.36","0.1","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","4","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","1.54178","CuKα","","0.0631","0.0522","","","0.1237","0.1327","","","","","","1.086","","","","has coordinates","255138","2020-10-21","18:00:00",""
"4038651","13.7694","0.0006","26.093","0.0011","14.2594","0.0007","90","","115.124","0.001","90","","4638.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H86 La2 N4 O6 -","- C86 H86 La2 N4 O6 -","- C172 H172 La4 N8 O12 -","2","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0511","0.0384","","","0.0984","0.1062","","","","","","1.02","","","","has coordinates","255139","2020-10-21","18:00:00",""
"4038652","10.671","0.0006","22.8755","0.0015","9.5065","0.0006","90","","92.152","0.004","90","","2318.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br N O5 -","- C23 H28 Br N O5 -","- C92 H112 Br4 N4 O20 -","4","1","","Ubale, Akash; Chaudhari, Moreshwar Bhagwan; Shaikh, Moseen A.; Gnanaprakasam, Boopathy","Manganese-Catalyzed Synthesis of Quaternary Peroxides: Application in Catalytic Deperoxidation and Rearrangement Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00837","","","1.54178","CuKα","","0.1205","0.0819","","","0.1986","0.2196","","","","","","1.063","","","","has coordinates","255140","2020-10-21","18:00:00",""
"4038653","11.949","0.003","25.877","0.006","16.528","0.005","90","","98.21","0.02","90","","5058","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H48 Cl6 N2 O4 S2 -","- C53 H47 Cl3 N2 O4 S2 -","- C212 H188 Cl12 N8 O16 S8 -","4","1","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","1.54178","CuKα","","0.0972","0.0719","","","0.1746","0.203","","","","","","1.052","","","","has coordinates","255141","2020-10-21","18:00:00",""
"4038654","7.6244","0.0001","10.3907","0.0002","15.0797","0.0003","92.525","0.002","97.786","0.002","98.462","0.002","1168.26","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 N2 O4 S2 -","- C56 H52 N2 O4 S2 -","- C56 H52 N2 O4 S2 -","1","0.5","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","x-ray","1.54184","CuKα","","0.047","0.0427","","","0.1036","0.1063","","","","","","1.02","","","","has coordinates","255142","2020-10-21","18:00:00",""
"4038655","13.0977","0.0014","15.0775","0.0016","15.4634","0.0015","115.901","0.003","94.74","0.003","112.307","0.003","2425.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H44 O4 S2 -","- C48 H44 O4 S2 -","- C96 H88 O8 S4 -","2","1","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","0.71073","MoKα","","0.1466","0.0848","","","0.2035","0.2237","","","","","","1.002","","","","has coordinates","255143","2020-10-21","18:00:00",""
"4038656","8.1459","0.0003","9.0608","0.0004","13.5621","0.0005","75.86","0.002","73.582","0.002","84.176","0.002","930.52","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Cl3 O4 S2 -","- C43 H33 Cl3 O4 S2 -","- C43 H33 Cl3 O4 S2 -","1","0.5","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","1.54178","CuKα","","0.0566","0.053","","","0.1387","0.1411","","","","","","1.077","","","","has coordinates,has disorder","255144","2020-10-21","18:00:00",""
"4038657","9.5884","0.0006","14.8739","0.0009","15.0818","0.0009","90.941","0.003","94.795","0.004","102.677","0.003","2089.8","0.2","100","","100","","","","","","","","","3","P 1","P 1","1","","(1R,2S,4R)-4-(methoxycarbonyl)-2-methylcyclohexane-1-carboxylic acid","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","8","","Cornelius, Lyndon A. M.; Li, Jianqing; Smith, Daniel; Krishnananthan, Subramaniam; Yip, Shiuhang; Wu, Dauh-Rurng; Pawluczyk, Joseph; Aulakh, Darpandeep; Sarjeant, Amy A.; Kempson, James; Tino, Joseph A.; Mathur, Arvind; Dhar, T. G. Murali; Cherney, Robert J.","Synthesis of 1-(tert-Butyl) 4-Methyl (1R,2S,4R)-2-Methylcyclohexane-1,4-Dicarboxylate from Hagemann's tert-Butyl Ester for an Improved Synthesis of BMS-986251.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01169","","x-ray","1.54178","CuKα","","0.085","0.079","","","0.2003","0.2059","","","","","","1.046","","","","has coordinates,has disorder","255187","2020-10-21","18:00:00",""
"4038658","9.1062","0.0015","11.3846","0.0018","13.688","0.002","105.432","0.002","100.772","0.002","112.646","0.002","1193.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H43 P Si4 -","- C17 H43 P Si4 -","- C34 H86 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0416","0.0377","","","0.1255","0.1301","","","","","","1.11","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038659","11.3795","0.0013","15.8206","0.0018","14.3559","0.0017","90","","102.901","0.0012","90","","2519.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H45 P Si4 -","- C18 H45 P Si4 -","- C72 H180 P4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0785","0.0738","","","0.22","0.2313","","","","","","1.088","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038660","8.501","0.002","11.132","0.003","15.43","0.004","106.972","0.002","91.957","0.003","109.448","0.002","1302.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H47 P Si4 -","- C19 H47 P Si4 -","- C38 H94 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0351","0.0317","","","0.0812","0.0833","","","","","","1.043","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038661","8.365","0.002","11.304","0.003","16.179","0.004","109.976","0.003","92.19","0.004","108.632","0.004","1343.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H49 P Si4 -","- C20 H49 P Si4 -","- C40 H98 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0789","0.0532","","","0.1207","0.1334","","","","","","1.08","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038662","16.317","0.003","10.0485","0.0018","18.383","0.003","90","","90","","90","","3014.1","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H55 P Si4 -","- C26 H55 P Si4 -","- C104 H220 P4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0285","0.025","","","0.0586","0.0605","","","","","","1.033","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038663","11.3052","0.0004","16.6951","0.0006","17.9915","0.0006","90","","90.973","0.001","90","","3395.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 F6 P Sb Si4 -","- C26 H56 F6 P Sb Si4 -","- C104 H224 F24 P4 Sb4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0238","0.0208","","","0.0501","0.0524","","","","","","1.016","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038664","10.0857","0.0005","11.4481","0.0005","30.5231","0.0014","90","","95.713","0.001","90","","3506.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H57 Ag F6 O P2 Si4 -","- C26 H57 Ag F6 O P2 Si4 -","- C104 H228 Ag4 F24 O4 P8 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0413","0.0315","","","0.0627","0.0667","","","","","","1.056","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038665","13.525","0.0003","14.4928","0.0003","20.6967","0.0004","80.1888","0.0017","78.9436","0.0018","82.5255","0.0018","3903.38","0.14","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N12 O14 -","- C30 H32 N12 O14 -","- C120 H128 N48 O56 -","4","2","","Breton, Gary W.; Martin, Kenneth L.","Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01425","","x-ray","0.71073","MoKα","","0.1156","0.0642","","","0.1485","0.1663","","","","","","1.037","","","","has coordinates","255189","2020-10-21","18:00:00",""
"4038666","11.442","0.00011","35.588","0.0004","12.41317","0.00017","90","","108.58","0.0012","90","","4791.16","0.1","100","0.12","100","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N18 O18 -","- C36 H36 N18 O18 -","- C144 H144 N72 O72 -","4","1","","Breton, Gary W.; Martin, Kenneth L.","Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01425","","x-ray","1.54184","CuKα","","0.0615","0.0518","","","0.1269","0.1316","","","","","","1.051","","","","has coordinates,has disorder","255190","2020-10-21","18:00:00",""
"4038667","23.94","0.03","10.015","0.003","26.173","0.015","90","","90","","90","","6275","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H37 N5 O3 -","- C36 H37 N5 O3 -","- C288 H296 N40 O24 -","8","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.4631","0.0983","","","0.1124","0.2015","","","","","","0.9","","","","has coordinates","255219","2020-10-21","18:00:00",""
"4038668","8.8554","0.0004","15.448","0.0006","15.7234","0.0008","87.963","0.004","76.295","0.004","75.824","0.003","2025.48","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H49 N5 O9 -","- C42 H49 N5 O9 -","- C84 H98 N10 O18 -","2","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.0891","0.0548","","","0.1297","0.1483","","","","","","1.024","","","","has coordinates","255220","2020-10-21","18:00:00",""
"4038669","13.5493","0.0005","14.2703","0.0003","6.6906","0.0002","90","","90","","90","","1293.64","0.07","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter","FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01184","","","0.71073","MoKα","","0.0435","0.0374","","","0.0933","0.0974","","","","","","1.082","","","","has coordinates","255221","2020-10-21","18:00:00",""
"4038670","7.1566","0.0006","6.7942","0.0006","13.6647","0.0011","90","","94.077","0.008","90","","662.74","0.1","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter","FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01184","","","0.71073","MoKα","","0.0803","0.0505","","","0.1285","0.1359","","","","","","1.053","","","","has coordinates","255221","2020-10-21","18:00:00",""
"4038671","5.0456","0.0004","10.0717","0.0008","20.3776","0.0017","96.509","0.004","95.256","0.004","90.126","0.004","1024.46","0.14","100","","99.98","","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 N O2 P -","- C26 H22 N O2 P -","- C52 H44 N2 O4 P2 -","2","2","","Winters, Karen R.; Montchamp, Jean-Luc","Evaluation and Development of Methodologies for the Synthesis of Thiophosphinic Acids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01151","","","0.71073","MoKα","","0.0522","0.0517","","","0.1388","0.139","","","","","","1.194","","","","has coordinates,has disorder","255240","2020-10-21","18:00:00",""
"4038672","10.0069","0.0003","14.7854","0.0005","16.3253","0.0005","90","","90","","90","","2415.43","0.13","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.7 H2.7 F0.1 N0.2 O0.3 -","- C2.7 H2.7 F0.1 N0.2 O0.3 -","- C108 H108 F4 N8 O12 -","40","10","","Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.","Beilstein journal of organic chemistry","2020","16","","1963","1973","10.3762/bjoc.16.163","","x-ray","1.54178","CuKα","","0.0342","0.0334","","","0.087","0.0883","","","","","","1.101","","","","has coordinates","276325","2022-06-28","14:14:18",""
"4038673","13.199","0.002","11.712","0.002","15.424","0.003","90","","91.56","0.009","90","","2383.5","0.7","120","","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 F N2 O3 -","- C27 H27 F N2 O3 -","- C108 H108 F4 N8 O12 -","4","1","","Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.","Beilstein journal of organic chemistry","2020","16","","1963","1973","10.3762/bjoc.16.163","","x-ray","1.54178","CuKα","","0.081","0.0637","","","0.1547","0.1783","","","","","","1.055","","","","has coordinates","256197","2020-10-21","18:00:00",""
"4038674","8.065","0.0002","15.5091","0.0005","7.9152","0.0002","90","","107.286","0.003","90","","945.32","0.05","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 O2 -","- C28 H18 O2 -","- C56 H36 O4 -","2","0.5","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0554","0.051","","","0.1486","0.1533","","","","","","1.071","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038675","20.4806","0.0008","20.4806","0.0008","7.7702","0.0003","90","","90","","90","","3259.2","0.2","130","2","130","2","","","","","","","","3","P 42","P 4c","77","","","","- C40 H44 N2 -","- C40 H44 N2 -","- C160 H176 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.1319","0.1014","","","0.2557","0.3035","","","","","","1.016","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038676","9.5927","0.0004","11.5581","0.0004","27.4017","0.0009","90","","90","","90","","3038.12","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N2 -","- C38 H40 N2 -","- C152 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0744","0.0671","","","0.1843","0.1916","","","","","","1.062","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038677","9.6607","0.0001","11.69","0.0002","13.1805","0.0002","90","","104.823","0.002","90","","1438.98","0.04","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0439","0.0396","","","0.1006","0.1044","","","","","","1.061","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038678","9.4593","0.0004","11.8372","0.0004","30.9935","0.0017","90","","90","","90","","3470.4","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 N2 -","- C44 H48 N2 -","- C176 H192 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.1229","0.0932","","","0.2508","0.2778","","","","","","1.033","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038679","9.7094","0.0006","11.6644","0.001","23.344","0.002","90","","90","","90","","2643.8","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0876","0.064","","","0.1363","0.15","","","","","","1.066","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038680","9.9973","0.0001","11.6194","0.0001","13.9974","0.0002","90","","98.549","0.001","90","","1607.91","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H48 N2 -","- C40 H48 N2 -","- C80 H96 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0426","0.0385","","","0.1073","0.1116","","","","","","1.04","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038681","9.8901","0.0003","11.4265","0.0005","13.5336","0.0005","90","","100.593","0.003","90","","1503.36","0.1","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 -","- C38 H44 N2 -","- C76 H88 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0578","0.0552","","","0.1665","0.1707","","","","","","1.095","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038682","9.8232","0.0003","11.5685","0.0005","24.8431","0.0011","90","","90","","90","","2823.16","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C144 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0972","0.0922","","","0.2667","0.2718","","","","","","1.103","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038683","9.8347","0.0001","11.3818","0.0001","24.1002","0.0002","90","","90","","90","","2697.69","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C144 H144 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0327","0.0319","","","0.0839","0.0847","","","","","","1.039","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038684","10.2971","0.0004","5.3701","0.0002","10.6919","0.0004","90","","94.959","0.002","90","","589.01","0.04","122","2","122","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C26 H28 Cl2 N2 -","2","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0399","0.0335","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","255268","2020-10-21","18:00:00",""
"4038685","25.6686","0.0015","6.3122","0.0004","11.3113","0.0006","90","","115.585","0.004","90","","1653.01","0.18","122","2","122","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0468","0.0383","","","0.0871","0.091","","","","","","1.061","","","","has coordinates","255269","2020-10-21","18:00:00",""
"4038686","10.3861","0.0002","11.8749","0.0003","19.6542","0.0005","90","","90","","90","","2424.03","0.1","295.8","0.5","295.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0677","0.0646","","","0.164","0.1702","","","","","","1.052","","","","has coordinates","255270","2020-10-21","18:00:00",""
"4038687","13.6569","0.0006","11.1976","0.0007","17.9855","0.0009","90","","97.29","0.005","90","","2728.2","0.3","292.8","0.9","292.8","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl O2 -","- C35 H27 Cl O2 -","- C140 H108 Cl4 O8 -","4","2","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0959","0.0819","","","0.2432","0.2689","","","","","","1.03","","","","has coordinates","255271","2020-10-21","18:00:00",""
"4038688","13.4137","0.0006","5.9329","0.0002","20.1416","0.0008","90","","90.21","0.004","90","","1602.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N S -","- C20 H17 N S -","- C80 H68 N4 S4 -","4","1","","Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming","Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01363","","","0.71073","MoKα","","0.0604","0.0439","","","0.0992","0.1081","","","","","","1.038","","","","has coordinates","255272","2020-10-21","18:00:00",""
"4038689","28.9068","0.0005","5.7531","0.0001","10.5484","0.0002","90","","98.531","0.002","90","","1734.83","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C84 H76 N4 O4 S4 -","4","1","","Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming","Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01363","","","1.54184","CuKα","","0.0369","0.0363","","","0.1052","0.106","","","","","","1.079","","","","has coordinates","255273","2020-10-21","18:00:00",""
"4038690","18.769","0.003","5.6852","0.0009","29.015","0.004","90","","90","","90","","3096.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H15 N O2 Se -","- C17 H15 N O2 Se -","- C136 H120 N8 O16 Se8 -","8","2","","Chen, Jia-Min; Qi, Lin; Zhang, Linlin; Li, Li-Jun; Hou, Cong-Ying; Li, Wei; Wang, Li-Jing","Copper/DTBP-Promoted Oxyselenation of Propargylic Amines with Diselenides and CO<sub>2</sub>: Synthesis of Selenyl 2-Oxazolidinones.","The Journal of organic chemistry","2020","85","16","10924","10933","10.1021/acs.joc.0c01519","","","0.71073","MoKα","","0.142","0.0428","","","0.0447","0.0565","","","","","","0.867","","","","has coordinates","255876","2020-10-21","18:00:00",""
"4038691","3.8353","0.0001","23.3888","0.0006","16.9879","0.0012","90","","93.51","0.007","90","","1521.01","0.12","123","","123","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.0341","0.0333","","","0.0936","0.0952","","","","","","0.843","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4038692","7.7745","0.0004","14.5862","0.0007","16.6756","0.0012","90","","90","","90","","1891.02","0.19","163","","163","","","","","","","","","3","P b n b","-P 2bc 2ab","56","","","","- C26 H16 N4 -","- C26 H16 N4 -","- C104 H64 N16 -","4","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1226","0.0625","","","0.1343","0.1764","","","","","","0.971","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4038693","9.8312","0.0012","6.6242","0.0009","12.7222","0.0019","90","","95.267","0.008","90","","825.02","0.19","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H10 Cl N5 O5 -","- C18 H10 Cl N5 O5 -","- C36 H20 Cl2 N10 O10 -","2","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1521","0.0762","","","0.1589","0.2062","","","","","","0.996","","","","has coordinates,has disorder","255298","2020-10-21","18:00:00",""
"4038694","13.5792","0.0007","10.3124","0.0005","19.7937","0.001","90","","108.203","0.002","90","","2633.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 O2 -","- C37 H24 O2 -","- C148 H96 O8 -","4","1","","Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal","Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01475","","","0.71073","MoKα","","0.0874","0.0499","","","0.1285","0.1657","","","","","","0.949","","","","has coordinates","255327","2020-10-21","18:00:00",""
"4038695","12.7378","0.0006","9.8142","0.0005","22.302","0.0011","90","","98.626","0.002","90","","2756.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal","Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01475","","","0.71073","MoKα","","0.0897","0.0661","","","0.1357","0.1518","","","","","","1.019","","","","has coordinates","255328","2020-10-21","18:00:00",""
"4038696","5.6868","0.0002","14.0452","0.001","22.1678","0.0007","90","","96.97","0.003","90","","1757.51","0.15","110.1","0.1","110.1","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O Se -","- C20 H20 Cl N O Se -","- C80 H80 Cl4 N4 O4 Se4 -","4","1","","Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong","Silver-Catalyzed Remote C5-H Selenylation of Indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00921","","x-ray","0.71073","MoKα","","0.0446","0.0348","","","0.0713","0.076","","","","","","1.042","","","","has coordinates","255329","2020-10-21","18:00:00",""
"4038697","12.0693","0.0008","10.9616","0.0008","29.0524","0.0019","90","","90","","90","","3843.6","0.5","146","2","146","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O2 Se -","- C21 H23 N O2 Se -","- C168 H184 N8 O16 Se8 -","8","2","","Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong","Silver-Catalyzed Remote C5-H Selenylation of Indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00921","","x-ray","0.71073","MoKα","","0.0677","0.0471","","","0.082","0.0911","","","","","","1.03","","","","has coordinates","255330","2020-10-21","18:00:00",""
"4038698","9.73271","0.0001","10.62789","0.00015","18.00805","0.00018","90","","90","","90","","1862.72","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C76 H88 Cl4 N4 O12 -","4","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0993","0.1014","","","","","","1.047","","","","has coordinates,has disorder","255491","2020-10-21","18:00:00",""
"4038699","12.55924","0.00006","5.55118","0.00003","13.81508","0.00007","90","","109.467","0.0005","90","","908.106","0.008","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0325","0.0325","","","0.0905","0.0905","","","","","","1.071","","","","has coordinates","255492","2020-10-21","18:00:00",""
"4038700","12.085","0.002","7.2789","0.0015","14.672","0.003","90","","96.83","0.03","90","","1281.5","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 N O3 P -","- C30 H30 N O3 P -","- C60 H60 N2 O6 P2 -","2","1","","Petrovic, Ana G.; Polavarapu, Prasad L.; Łopusiński, Andrzej; Krasowska, Dorota; Wieczorek, Wanda; Szyrej, Małgorzata; Błaszczyk, Jarosław; Drabowicz, Józef","Absolute Configuration and Conformation of (-)-<i>R</i>-<i>t</i>-Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00756","","","0.71073","MoKα","","0.0277","0.0258","","","0.0673","0.0688","","","","","","1.047","","","","has coordinates","255494","2020-10-21","18:00:00",""
"4038701","8.5733","0.0005","30.5985","0.0018","8.2945","0.0005","90","","105.083","0.001","90","","2100.9","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F7 N O3 -","- C22 H18 F7 N O3 -","- C88 H72 F28 N4 O12 -","4","1","","Dorokhov, Valentin; Nelyubina, Yulia; Ioffe, Sema; Sukhorukov, Alexey Yu","Asymmetric Synthesis of Merck's Potent hNK1 Antagonist and Its Stereoisomers via Tandem Acylation/[3,3]-Rearrangement of 1,2-Oxazine-N-oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01322","","","0.71073","MoKα","","0.0911","0.0526","","","0.1056","0.1264","","","","","","1.014","","","","has coordinates,has disorder","255495","2020-10-21","18:00:00",""
"4038702","15.986","0.0007","16.5452","0.0007","16.1942","0.0008","90","","146.786","0.001","90","","2346.2","0.19","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 F N O5 -","- C26 H30 F N O5 -","- C104 H120 F4 N4 O20 -","4","1","","Dorokhov, Valentin; Nelyubina, Yulia; Ioffe, Sema; Sukhorukov, Alexey Yu","Asymmetric Synthesis of Merck's Potent hNK1 Antagonist and Its Stereoisomers via Tandem Acylation/[3,3]-Rearrangement of 1,2-Oxazine-N-oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01322","","","0.71073","MoKα","","0.0527","0.0381","","","0.0863","0.0952","","","","","","1.026","","","","has coordinates","255496","2020-10-21","18:00:00",""
"4038703","10.5027","0.0006","7.0136","0.0004","13.6611","0.0008","90","","96.983","0.002","90","","998.84","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.0746","0.0514","","","0.1286","0.1417","","","","","","1.028","","","","has coordinates","255497","2020-10-21","18:00:00",""
"4038704","9.1058","0.0005","9.3616","0.0005","12.5435","0.0006","76.487","0.001","79.631","0.001","80.564","0.001","1014.35","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O9 -","- C22 H20 O9 -","- C44 H40 O18 -","2","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.0929","0.0714","","","0.17","0.1845","","","","","","1.026","","","","has coordinates","255498","2020-10-21","18:00:00",""
"4038705","10.1493","0.0006","6.7882","0.0004","14.1297","0.0008","90","","95.25","0.002","90","","969.39","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.076","0.0556","","","0.1538","0.168","","","","","","1.021","","","","has coordinates","255499","2020-10-21","18:00:00",""
"4038706","17.7454","0.0002","13.7235","0.0002","21.0126","0.0003","90","","90","","90","","5117.18","0.12","173","1","173","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C248 H224 N16 O24 -","8","2","","Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam","One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01308","","","1.54178","CuKα","","0.0472","0.0398","","","0.0907","0.0955","","","","","","1.037","","","","has coordinates","255557","2020-10-21","18:00:00",""
"4038707","10.2112","0.0003","15.7567","0.0005","17.6793","0.0005","69.215","0.002","74.393","0.002","73.995","0.002","2509.49","0.14","173","","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C124 H112 N8 O12 -","4","2","","Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam","One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01308","","","1.54178","CuKα","","0.0607","0.0412","","","0.0966","0.1073","","","","","","1.014","","","","has coordinates,has disorder","255558","2020-10-21","18:00:00",""
"4038708","8.0569","0.0004","17.1074","0.0009","17.4187","0.0009","117.369","0.005","91.41","0.004","93.755","0.004","2123.5","0.2","120","0.1","120","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C58 H40 -","- C58 H40 -","- C116 H80 -","2","1","","Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Triflic Acid-Promoted Adamantylation and <i>tert</i>-Butylation of Pyrene: Fluorescent Properties of Pyrene-Decorated Adamantanes and a Channeled Crystal Structure of 1,3,5-Tris(pyren-2-yl)adamantane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01060","","x-ray","1.54184","CuKα","","0.0999","0.0811","","","0.1957","0.2067","","","","","","1.032","","","","has coordinates","255559","2020-10-21","18:00:00",""
"4038709","20.84906","0.00018","14.0884","0.00011","38.1251","0.0003","90","","90","","90","","11198.5","0.16","160","0.1","160","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C61 H84 O10 -","- C61 H84 O10 -","- C488 H672 O80 -","8","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1084","0.1165","","","","","","1.052","","","","has coordinates","255560","2020-10-21","18:00:00",""
"4038710","19.4882","0.00008","14.12202","0.00007","28.65569","0.00012","90","","105.565","0.0004","90","","7597.2","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H65 N5 O10 -","- C80 H65 N5 O10 -","- C320 H260 N20 O40 -","4","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","","1.54184","CuKα","","0.0512","0.0464","","","0.1318","0.1388","","","","","","1.056","","","","has coordinates","255561","2020-10-21","18:00:00",""
"4038711","9.0613","0.001","17.674","0.002","20.106","0.002","90","","101.443","0.005","90","","3156","0.6","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N O4 S -","- C37 H39 N O4 S -","- C148 H156 N4 O16 S4 -","4","1","","Wang, Junwei; Rong, Quanjin; Zhao, Lei; Pan, Xiang; Zhao, Lin; Zhao, Kun; Hu, Lihong","Synthesis of 1,4-Dihydroquinolines and 4<i>H</i>-Chromenes via Organocatalytic Domino Aza/Oxa-Michael/1,6-Addition Reactions of <i>para</i>-Quinone Methides and Ynals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01315","","","1.34139","GaKα","","0.077","0.0534","","","0.1333","0.1458","","","","","","1.019","","","","has coordinates","255562","2020-10-21","18:00:00",""
"4038712","16.3776","0.0009","13.3941","0.0006","16.6146","0.0008","90","","92.047","0.005","90","","3642.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl 7-carbamoyl-8-methyl-1,2,3,4,5,7,7a,8,12b,12c-decahydrocyclohepta[5,6] pyridazino[3,4-b]indole-12c-carboxylate","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C152 H192 N32 O24 -","8","1","","Ciccolini, Cecilia; Mari, Giacomo; Gatti, Francesco G.; Gatti, Giuseppe; Giorgi, Gianluca; Mantellini, Fabio; Favi, Gianfranco","Synthesis of Polycyclic Fused Indoline Scaffolds through a Substrate-Guided Reactivity Switch.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01489","","","0.71073","MoKα","","0.0767","0.05","","","0.1085","0.1272","","","","","","1.014","","","","has coordinates,has disorder","255563","2020-10-21","18:00:00",""
"4038713","13.5467","0.0002","15.2671","0.0003","19.7699","0.0003","107.173","0.002","100.844","0.001","90.31","0.001","3828.64","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H108 I2 N10 Zn2 -","- C84 H108 I2 N10 Zn2 -","- C168 H216 I4 N20 Zn4 -","2","1","","Sahoo, Rajata Kumar; Mahato, Mamata; Jana, Achintya; Nembenna, Sharanappa","Zinc Hydride Catalyzed Hydrofuntionalization of Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01285","","","1.54184","CuKα","","0.1511","0.1297","","","0.3321","0.3376","","","","","","1.697","","","","has coordinates","255610","2020-10-21","18:00:00",""
"4038714","8.8858","0.0004","9.5706","0.0006","23.3142","0.0011","90","","90","","90","","1982.7","0.18","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl F3 N O5 S -","- C18 H15 Cl F3 N O5 S -","- C72 H60 Cl4 F12 N4 O20 S4 -","4","1","","Duan, Hui-Xin; Zhang, Yongna; Zhang, Zhen-Zhen; Wang, You-Qing","C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl Trifluoromethylated Ketimines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01446","","x-ray","1.54184","CuKα","","0.0524","0.0422","","","0.1072","0.1156","","","","","","1.028","","","","has coordinates","255632","2020-10-21","18:00:00",""
"4038715","9.6607","0.0009","11.0178","0.001","17.0785","0.0017","90","","90","","90","","1817.8","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2-hydroxy-2,6-dimethyl-5-nitro-4-phenyltetrahydro-2H-pyran-3-yl)phosphonate","","- C15 H22 N O7 P -","- C15 H22 N O7 P -","- C60 H88 N4 O28 P4 -","4","1","","Reznikov, Alexander N.; Nikerov, Dmitry S.; Sibiryakova, Anastasiya E.; Rybakov, Victor B.; Golovin, Evgeniy V.; Klimochkin, Yuri N.","Convenient access to pyrrolidin-3-ylphosphonic acids and tetrahydro-2H-pyran-3-ylphosphonates with multiple contiguous stereocenters from nonracemic adducts of a Ni(II)-catalyzed Michael reaction","Beilstein Journal of Organic Chemistry","2020","16","","2073","2079","10.3762/bjoc.16.174","","x-ray","1.54184","Cukα","","0.0402","0.0335","","","0.08","0.0835","","","","","","1.026","","","","has coordinates","258203","2020-10-21","18:00:00",""
"4038716","8.7209","0.0001","8.7209","0.0001","41.8621","0.0006","90","","90","","90","","3183.78","0.07","160","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H19 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","1.54186","CuKα","","0.0295","0.0288","","","0.0971","0.0984","","","","","","0.939","","","","has coordinates","255670","2020-10-21","18:00:00",""
"4038717","5.5006","0.0001","17.2005","0.0002","17.2638","0.0002","90","","90","","90","","1633.38","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0337","0.0271","","","0.0587","0.0617","","","","","","1.033","","","","has coordinates","255671","2020-10-21","18:00:00",""
"4038718","9.2907","0.0002","11.0841","0.0003","14.6284","0.0003","90","","90","","90","","1506.42","0.06","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0608","0.0475","","","0.1004","0.1084","","","","","","1.03","","","","has coordinates","255672","2020-10-21","18:00:00",""
"4038719","15.7398","0.0002","18.1447","0.0002","16.4868","0.0002","90","","108.186","0.002","90","","4473.33","0.11","169.99","0.1","169.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 O5 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0545","0.0484","","","0.13","0.1399","","","","","","1.08","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038720","13.3673","0.0001","25.6","0.0002","16.4937","0.0001","90","","90.467","0.001","90","","5644","0.07","170","0.11","170","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H66 Cl2 N2 O9 -","- C54 H52 N2 O8 -","- C216 H208 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0484","0.0445","","","0.1229","0.126","","","","","","1.046","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038721","13.3833","0.0002","25.691","0.0005","16.512","0.0003","90","","89.7135","0.0016","90","","5677.26","0.17","170","0.14","170","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 N2 O8 -","- C54 H50 N2 O8 -","- C216 H200 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0688","0.0582","","","0.166","0.1785","","","","","","1.054","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038722","13.4532","0.0001","25.5222","0.0002","16.7817","0.0001","90","","90.016","0.001","90","","5762.08","0.07","170","0.11","170","0.11","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 N2 O8 -","- C56 H56 N2 O8 -","- C224 H224 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0689","0.0641","","","0.1711","0.1762","","","","","","1.042","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038723","13.3525","0.0002","25.8179","0.0004","16.7371","0.0002","90","","90.507","0.001","90","","5769.61","0.14","169.99","0.13","169.99","0.13","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 Br2 O8 -","- C54 H56 Br2 O8 -","- C216 H224 Br8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.078","0.0676","","","0.2183","0.2311","","","","","","1.073","","","","has coordinates,has disorder","255673","2020-10-21","18:00:00",""
"4038724","15.424","0.0005","9.5366","0.00019","17.1423","0.0005","90","","115.321","0.004","90","","2279.25","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 F O7 -","- C23 H29 F O7 -","- C92 H116 F4 O28 -","4","1","","Ding, Ya-Nan; Shi, Wei-Yu; Liu, Ce; Zheng, Nian; Li, Ming; An, Yang; Zhang, Zhe; Wang, Cui-Tian; Zhang, Bo-Sheng; Liang, Yong-Min","Palladium-Catalyzed ortho-C-H Glycosylation/ipso-Alkenylation of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01392","","x-ray","1.54184","CuKα","","0.0468","0.0439","","","0.1215","0.1261","","","","","","1.082","","","","has coordinates,has disorder","255674","2020-10-21","18:00:00",""
"4038725","18.9995","0.0004","26.206","0.0008","35.374","0.0009","90","","96.956","0.002","90","","17483.1","0.8","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.75 H39.5 Cl3.5 F2 N2 Pd -","- C52.75 H39.5 Cl3.5 F2 N2 Pd -","- C844 H632 Cl56 F32 N32 Pd16 -","16","4","","Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou","""Bulky-Yet-Flexible"" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01509","","x-ray","0.71073","MoKα","","0.097","0.0523","","","0.1028","0.1278","","","","","","1.04","","","","has coordinates","255766","2020-10-21","18:00:00",""
"4038726","12.0249","0.0009","14.3002","0.0004","21.4777","0.0005","96.356","0.002","92.889","0.005","91.174","0.005","3664.6","0.3","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 Cl6 N2 Pd -","- C80 H64 Cl6 N2 Pd -","- C160 H128 Cl12 N4 Pd2 -","2","1","","Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou","""Bulky-Yet-Flexible"" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01509","","x-ray","1.54184","CuKα","","0.0951","0.0833","","","0.1504","0.205","","","","","","1.02","","","","has coordinates","255766","2020-10-21","18:00:00",""
"4038727","7.9886","0.0002","9.9248","0.0002","16.34","0.0004","90","","90","","90","","1295.52","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19.44 O3 -","- C15 H19.444 O3 -","- C60 H77.776 O12 -","4","1","","Shao, Hui; Wang, Yun-Peng; Fang, Kun; Zhao, Yu-Ming; Tu, Yong-Qiang","Total Synthesis of Sieboldine A.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01660","","","1.54178","CuKα","","0.0425","0.0408","","","0.1348","0.1372","","","","","","1.241","","","","has coordinates,has disorder","255852","2020-10-21","18:00:00",""
"4038728","12.849","0.0002","11.07235","0.00014","13.347","0.0002","90","","103.715","0.0017","90","","1844.71","0.05","292","1","292","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F0.25 N O6 -","- C21 H18 F2 N2 O3 -","- C84 H72 F8 N8 O12 -","4","1","","Liu, Liang; Yang, De-Yong; He, Yan-Hong; Guan, Zhi","Redox-Neutral Photocatalytic Radical Cascade Cyclization for the Synthesis of CH<sub>2</sub>CN/CF<sub>2</sub>COOEt/CF<sub>3</sub>-Containing Benzo[4,5]imidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-One Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01688","","x-ray","1.54184","CuKα","","0.0445","0.0393","","","0.1038","0.1093","","","","","","1.034","","","","has coordinates,has disorder","255853","2020-10-21","18:00:00",""
"4038729","9.2794","0.0005","9.3445","0.0005","10.356","0.0004","89.2189","0.0018","89.7152","0.0019","82.646","0.002","890.51","0.08","279","2","279","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","2","","Wang, Haofeng; Wu, Xin; Wang, Luyu; Li, Erfei; Li, Xiaoyu; Tong, Tao; Kang, Honglan; Xie, Jian-Wu; Shen, Guodong; Lv, Xin","One-Pot Synthesis of Benzimidazo[2,1-b]thiazoline Derivatives through An Addition/Cyclization/Oxidative Coupling Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01137","","","0.71073","MoKα","","0.0428","0.0376","","","0.1027","0.1081","","","","","","1.018","","","","has coordinates","255854","2020-10-21","18:00:00",""
"4038730","8.1688","0.0003","8.8842","0.0003","20.4503","0.0005","90","","90","","90","","1484.14","0.08","293.73","0.18","293.73","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Dong, Xiaodi; Tang, Zhishun; Ye, Ling; Shi, Zhichuan; Zhao, Zhigang; Li, Xuefeng","Stereoselective Synthesis of Dihydrofuranoindoles via the Friedel-Crafts Alkylation/Annulation Cascade Process.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00444","","x-ray","1.54184","CuKα","","0.0536","0.0505","","","0.1345","0.1402","","","","","","1.029","","","","has coordinates","255903","2020-10-21","18:00:00",""
"4038731","11.6904","0.0002","14.6998","0.0004","11.3235","0.0002","90","","91.493","0.002","90","","1945.24","0.07","230","0.1","230","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H20 N O4 P S -","- C21 H20 N O4 P S -","- C84 H80 N4 O16 P4 S4 -","4","1","","Luo, Wenjun; Wang, Zhenguo; Cao, Xiaohui; Liang, Dacheng; Wei, Mingjie; Yin, Keshu; Li, Le","Construction of Benzo-1,2,3-thiazaphosphole Heterocycles by Annulations of ortho-Phosphinoarenesulfonyl Fluorides with Trimethylsilyl Azide","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01309","","x-ray","0.71073","MoKα","","0.0366","0.0324","","","0.0822","0.0865","","","","","","1.047","","","","has coordinates","255904","2020-10-21","18:00:00",""
"4038732","11.7479","0.0004","13.1447","0.0004","16.1419","0.0006","90","","108.509","0.004","90","","2363.74","0.15","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N5 P -","- C24 H36 N5 P -","- C96 H144 N20 P4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","x-ray","0.71073","MoKα","","0.0672","0.0498","","","0.1147","0.1238","","","","","","1.032","","","","has coordinates","255931","2020-10-21","18:00:00",""
"4038733","7.4743","0.0002","16.7492","0.0003","9.742","0.0002","90","","111.695","0.001","90","","1133.2","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N5 P -","- C23 H34 N5 P -","- C46 H68 N10 P2 -","2","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0373","0.0333","","","0.0767","0.0785","","","","","","1.055","","","","has coordinates","255932","2020-10-21","18:00:00",""
"4038734","26.9636","0.0007","26.9636","0.0007","9.7516","0.0005","90","","90","","90","","7089.8","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C17 H29 N2 P -","- C17 H29 N2 P -","- C272 H464 N32 P16 -","16","2","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0768","0.0461","","","0.1202","0.1324","","","","","","1.028","","","","has coordinates","255933","2020-10-21","18:00:00",""
"4038735","7.0785","0.0006","30.538","0.002","8.6896","0.0008","90","","93.553","0.003","90","","1874.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 N4 P -","- C18 H31 N4 P -","- C72 H124 N16 P4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.065","0.048","","","0.1052","0.1125","","","","","","1.056","","","","has coordinates","255934","2020-10-21","18:00:00",""
"4038736","31.461","0.005","32.311","0.004","7.4331","0.0009","90","","90","","90","","7556","1.8","123","2","123","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H19 N -","- C28 H19 N -","- C448 H304 N16 -","16","2","","Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01622","","","0.71073","MoKα","","0.0789","0.0461","","","0.1033","0.1248","","","","","","1.02","","","","has coordinates,has disorder","256311","2020-10-21","18:00:00",""
"4038737","27.2097","0.001","4.6842","0.0001","18.3065","0.0007","90","","105.415","0.001","90","","2249.33","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 F6 N -","- C30 H17 F6 N -","- C120 H68 F24 N4 -","4","1","","Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01622","","","0.71073","MoKα","","0.0735","0.0454","","","0.107","0.1215","","","","","","1.016","","","","has coordinates","256312","2020-10-21","18:00:00",""
"4038738","10.7042","0.0001","10.7042","0.0001","30.0297","0.0004","90","","90","","90","","3440.8","0.06","99.8","0.8","99.8","0.8","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1095","0.1125","","","","","","1.089","","","","has coordinates","256313","2020-10-21","18:00:00",""
"4038739","7.7605","0.0001","9.6596","0.0001","11.3533","0.0001","90","","101.556","0.001","90","","833.829","0.016","99.9","0.8","99.9","0.8","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0766","0.0768","","","","","","1.05","","","","has coordinates","256314","2020-10-21","18:00:00",""
"4038740","8.406","0.0005","8.466","0.0007","14.6974","0.001","89.549","0.006","77.343","0.005","66.477","0.007","932.01","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 B Br F4 O2 -","- C23 H12 B Br F4 O2 -","- C46 H24 B2 Br2 F8 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","","1.54184","CuKα","","0.0527","0.048","","","0.1347","0.1402","","","","","","1.057","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038741","8.8561","0.0005","9.3777","0.0005","14.1453","0.0005","91.724","0.004","98.862","0.004","116.907","0.006","1028.42","0.11","290.56","0.1","290.56","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 B Br F4 O3 -","- C24 H14 B Br F3.9996 O3 -","- C48 H28 B2 Br2 F7.9992 O6 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0397","0.0347","","","0.0917","0.0959","","","","","","1.034","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038742","12.7765","0.0003","16.0668","0.0006","17.3836","0.0007","77.279","0.004","80.071","0.003","80.432","0.003","3398.1","0.2","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 B Br F4 N2 -","- C29 H26 B Br F4 N2 -","- C116 H104 B4 Br4 F16 N8 -","4","2","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.072","0.0619","","","0.1771","0.1909","","","","","","1.03","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038743","7.7507","0.0004","12.3048","0.0005","13.5177","0.0008","104.972","0.005","95.439","0.004","94.459","0.004","1232.8","0.11","179.95","0.1","179.95","0.1","","","","","","","","8","P 1","P 1","1","","","","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","1","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.5418","CuKα","","0.0694","0.0651","","","0.1789","0.1829","","","","","","1.053","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038744","20.2508","0.0003","4.24318","0.00007","19.0965","0.0003","90","","106.186","0.0017","90","","1575.88","0.04","180.15","","180.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Br O3 -","- C23 H11 Br O3 -","- C92 H44 Br4 O12 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0337","0.03","","","0.0782","0.0817","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038745","8.9485","0.0003","21.3763","0.0005","13.2147","0.0003","90","","99.059","0.003","90","","2496.25","0.12","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Br N O4 -","- C29 H28 Br N O4 -","- C116 H112 Br4 N4 O16 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","0.71073","MoKα","","0.0845","0.048","","","0.1038","0.1185","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038746","9.9075","0.0007","11.5025","0.0007","12.5629","0.0008","110.42","0.006","95.401","0.005","112.56","0.006","1195.28","0.17","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br Cl2 N O2 -","- C28 H24 Br Cl2 N O2 -","- C56 H48 Br2 Cl4 N2 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0509","0.0496","","","0.1321","0.1338","","","","","","1.056","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038747","30.4299","0.0004","8.50556","0.00007","22.1713","0.0003","90","","112.626","0.0016","90","","5296.81","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 N3 O4 S -","- C30 H25 N3 O4 S -","- C240 H200 N24 O32 S8 -","8","1","","Yuan, Wei-Cheng; Quan, Bao-Xue; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang","[4 + 2] Annulation Reaction of <i>In Situ</i> Generated Azoalkenes with Azlactones: Access to 4,5-Dihydropyridazin-3(2<i>H</i>)-Ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01592","","x-ray","1.54184","CuKα","","0.0599","0.0517","","","0.1409","0.1518","","","","","","1.044","","","","has coordinates,has disorder","256316","2020-10-21","18:00:00",""
"4038748","5.422","0.0003","8.6988","0.0005","12.1636","0.0007","90","","94.341","0.004","90","","572.05","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 F2 O2 -","- C5 H6 F2 O2 -","- C20 H24 F8 O8 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0757","0.0468","","","0.0907","0.0994","","","","","","1.194","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038749","5.1598","0.0009","11.2723","0.0017","17.688","0.003","90","","93.058","0.007","90","","1027.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C44 H40 F12 N4 O4 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0935","0.0516","","","0.114","0.1321","","","","","","1.017","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038750","6.0157","0.0004","7.4732","0.0004","7.6279","0.0004","106.605","0.004","105.053","0.004","91.961","0.004","315.16","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C8 H16 Cl2 F4 N2 -","2","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0472","0.0401","","","0.1391","0.1447","","","","","","1.012","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038751","8.6036","0.0013","11.7912","0.0019","21.27","0.003","90","","90","","90","","2157.8","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.1215","0.0633","","","0.1364","0.164","","","","","","1.01","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038752","25.037","0.004","26.193","0.004","7.1427","0.0012","90","","90","","90","","4684.1","1.3","296","2","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C208 H208 N16 O64 -","16","1","","Zhang, Sheng; Li, He; Yamamoto, Yoshinori; Bao, Ming","Synthesis of 1H-Indole-2,3-dicarboxylates via Rhodium-catalyzed C-H Annulation of Arylhydrazines with Maleates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01727","","","0.71073","MoKα","","0.0603","0.0443","","","0.0924","0.0998","","","","","","1.034","","","","has coordinates","256367","2020-10-21","18:00:00",""
"4038753","7.3094","0.0003","11.286","0.0005","18.0876","0.0008","90","","90","","90","","1492.12","0.11","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C52 H36 F4 N8 O8 S4 -","4","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.1037","0.0599","","","0.1873","0.229","","","","","","0.853","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038754","19.2656","0.0016","33.47","0.003","7.2379","0.0006","90","","90","","90","","4667.1","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C208 H144 F16 N32 O32 S16 -","16","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.0455","0.0363","","","0.0835","0.0876","","","","","","1.06","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038755","13.453","0.003","4.8445","0.0013","19.075","0.005","90","","99.076","0.005","90","","1227.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 Br N2 S -","- C14 H7 Br N2 S -","- C56 H28 Br4 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0763","0.0361","","","0.0783","0.0943","","","","","","1.052","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038756","12.0548","0.0017","10.6734","0.0015","13.4266","0.0019","90","","97.826","0.003","90","","1711.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 S -","- C22 H12 N2 S -","- C88 H48 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0794","0.0448","","","0.1027","0.1235","","","","","","1.022","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038757","6.8494","0.0004","10.5416","0.0007","11.8942","0.0008","78.408","0.002","89.07","0.002","86.152","0.002","839.39","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Br F N O2 -","- C18 H17 Br F N O2 -","- C36 H34 Br2 F2 N2 O4 -","2","1","","Zhang, Lili; Deng, Kezuan; Wu, Gaorong; Yang, Jinyue; Tang, Shibiao; Fu, Xiaopan; Xia, Chengcai; Ji, Yafei","Ruthenium(II)-Catalyzed α-Fluoroalkenylation of Oxime Ethers with <i>gem</i>-Difluorostyrenes <i>via</i> C-H Activation and C-F Cleavage.","The Journal of organic chemistry","2020","85","19","12670","12681","10.1021/acs.joc.0c01842","","","0.71073","MoKα","","0.0396","0.0317","","","0.0855","0.0905","","","","","","1.039","","","","has coordinates","257139","2020-10-21","18:00:00",""
"4038758","31.5424","0.0007","8.3838","0.0002","11.996","0.0003","90","","90","","90","","3172.28","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H68 O8 Rh2 -","- C78 H68 O8 Rh2 -","- C156 H136 O16 Rh4 -","2","0.5","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","","1.54178","CuKα","","0.0482","0.0389","","","0.0802","0.0866","","","","","","1.065","","","","has coordinates,has disorder","256465","2020-10-21","18:00:00",""
"4038759","9.896","0.0002","21.172","0.0004","14.8082","0.0003","90","","100.901","0.002","90","","3046.6","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H64 N4 O8 Rh2 -","- C72 H64 N4 O8 Rh2 -","- C144 H128 N8 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0197","0.0192","","","0.0488","0.049","","","","","","1.029","","","","has coordinates","256466","2020-10-21","18:00:00",""
"4038760","16.21","0.0004","19.2876","0.0004","25.619","0.0006","90","","90","","90","","8009.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H71 Br8 N O8 Rh2 -","- C87 H71 Br8 N O8 Rh2 -","- C348 H284 Br32 N4 O32 Rh8 -","4","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0582","0.0418","","","0.0829","0.089","","","","","","1.0386","","","","has coordinates","256467","2020-10-21","18:00:00",""
"4038761","9.8716","0.0008","18.221","0.003","18.301","0.002","90","","91.066","0.01","90","","3291.2","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H58 N2 O8 Rh2 -","- C68 H58 N2 O8 Rh2 -","- C136 H116 N4 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","1.54184","CuKα","","0.1024","0.0689","","","0.1717","0.189","","","","","","1.0319","","","","has coordinates","256468","2020-10-21","18:00:00",""
"4038762","13.7554","0.0019","7.8485","0.0007","18.5","0.003","90","","110.617","0.017","90","","1869.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O2 S2 -","- C23 H15 N O2 S2 -","- C92 H60 N4 O8 S8 -","4","1","","Chen, Xia; Zhang, Lianpeng; Wang, Yuzhe; Qiu, Guanyinsheng; Liang, Qinghui; Zhou, Hongwei","Copper-Catalyzed Tandem Radical Cyclization of 8-Ethynyl-1-naphthyl-amines for the Synthesis of 2<i>H</i>-Benzo[<i>e</i>][1,2]thiazine 1,1-Dioxides and its Fluorescence Properties.","The Journal of organic chemistry","2020","85","19","12526","12534","10.1021/acs.joc.0c01725","","x-ray","0.71073","MoKα","","0.1082","0.0772","","","0.2327","0.2639","","","","","","1.041","","","","has coordinates","257140","2020-10-21","18:00:00",""
"4038763","20.058","0.004","14.261","0.003","6.1046","0.001","90","","91.741","0.012","90","","1745.4","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F O3 -","- C20 H21 F O3 -","- C80 H84 F4 O12 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","x-ray","1.54178","CuKα","","0.1192","0.0618","","","0.1216","0.1416","","","","","","1.033","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038764","5.942","0.0006","26.684","0.003","9.9612","0.0011","90","","104.342","0.011","90","","1530.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","","0.71073","MoKα","","0.0951","0.0555","","","0.1125","0.1343","","","","","","1.053","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038765","10.906","0.0006","13.6614","0.0007","16.6806","0.0009","90","","90","","90","","2485.3","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","O-4-Chloro-2-(((4-methylphenyl)sulfonamido)(phenyl)methyl)phenyl N,N-diethylcarbamate","","- C25 H27 Cl N2 O4 S -","- C25 H27 Cl N2 O4 S -","- C100 H108 Cl4 N8 O16 S4 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0496","0.0392","","","0.0807","0.0864","","","","","","1.098","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038766","8.596","0.003","10.656","0.004","11.508","0.004","107.17","0.004","97.829","0.004","103.488","0.004","955.2","0.6","298","2","298","","","","","","","","","5","P -1","-P 1","2","","O-4-Methoxy-2-(phenylcarbamothioyl)phenyl N,N-diethylcarbamate","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C38 H44 N4 O6 S2 -","2","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0534","0.0453","","","0.127","0.1336","","","","","","1.054","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038767","13.8795","0.0016","11.3828","0.0013","23.518","0.003","90","","90","","90","","3715.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","O-4-Chloro-2-((3-chlorophenyl)carbamoyl)phenyl N,N-diethylcarbamate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C144 H144 Cl16 N16 O24 -","8","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0627","0.0416","","","0.1067","0.1207","","","","","","1.022","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038768","9.495","0.007","15.333","0.011","14.547","0.01","90","","100.886","0.012","90","","2080","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-((2-hydroxyphenyl)(phenyl)methyl)-3-phenylurea","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0869","0.0499","","","0.101","0.1104","","","","","","0.955","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038769","12.1225","0.0006","12.8572","0.0006","15.2915","0.0008","90","","92.451","0.002","90","","2381.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","o-(E)-4-Chloro-2-(N,N'-di-p-tolylcarbamimidoyl)phenyl N,N-diethylcarbamate (","","- C26 H28 Cl N3 O2 -","- C26 H28 Cl N3 O2 -","- C104 H112 Cl4 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0448","0.0383","","","0.0829","0.0875","","","","","","1.084","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038770","10.4657","0.0018","15.208","0.003","19.367","0.004","90","","100.511","0.009","90","","3030.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-(1-(2-hydroxyphenyl)-2-methylprop-1-en-1-yl)urea","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C120 H176 N16 O16 -","8","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0509","0.0435","","","0.0995","0.1044","","","","","","1.093","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038771","8.066","0.002","15.096","0.004","14.762","0.003","90","","104.125","0.016","90","","1743.1","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","O-(E)-N-(Diethylcarbamoyl)-2-hydroxy-N,N'-diisopropylbenzimidamide","","- C18 H29 N3 O2 -","- C18 H29 N3 O2 -","- C72 H116 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0706","0.0532","","","0.122","0.1364","","","","","","1.069","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038772","9.244","0.0006","12.1783","0.0008","16.9973","0.0011","88.74","0.004","82.005","0.004","79.455","0.004","1862.9","0.2","283","2","283","2","","","","","","","","7","P -1","-P 1","2","","O-4-Chloro-2-((2-fluorophenyl)carbamothioyl)phenyl N,N-diethylcarbamate","","- C18 H17 Cl F N2 O2 S -","- C18 H17.3415 Cl F0.9885 N2 O2 S -","- C72 H69.366 Cl4 F3.954 N8 O8 S4 -","4","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.1003","0.0599","","","0.1043","0.1202","","","","","","1.08","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038773","9.5051","0.0018","8.8409","0.0018","20.79","0.004","90","","90.242","0.003","90","","1747","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N3 O7 -","- C14 H25 N3 O7 -","- C56 H100 N12 O28 -","4","2","","Richaud, Alexis D.; Roche, Stéphane P","Structure-Property Relationship Study of <i>N</i>-(Hydroxy)Peptides for the Design of Self-Assembled Parallel β-Sheets.","The Journal of organic chemistry","2020","85","19","12329","12342","10.1021/acs.joc.0c01441","","x-ray","0.41328","synchrotron","","0.1055","0.0689","","","0.1604","0.1873","","","","","","1.009","","","","has coordinates","257134","2020-10-21","18:00:00",""
"4038774","6.5847","0.0007","8.4285","0.0009","9.4274","0.0011","89.0396","0.0017","72.6274","0.0016","80.7426","0.0017","492.57","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C22 H24 N4 S2 -","2","1","","Geng, Xinyu; Liu, Siyuan; Wang, Wenyao; Qu, Jingping; Wang, Baomin","<i>tert</i>-Amino Effect-Promoted Rearrangement of Aryl Isothiocyanate: A Versatile Approach to Benzimidazothiazepines and Benzimidazothioethers.","The Journal of organic chemistry","2020","85","19","12635","12643","10.1021/acs.joc.0c01806","","","0.71073","MoKα","","0.0342","0.0303","","","0.0791","0.0815","","","","","","1.002","","","","has coordinates","257136","2020-10-21","18:00:00",""
"4038775","8.1574","0.0004","13.7272","0.0006","20.3329","0.0011","90","","90","","90","","2276.84","0.19","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Chen, Shu-Rong; Wang, Shih-Wei; Sheu, Jyh-Horng; Chang, Ting-Hsuan; Cheng, Yuan-Bin","Zoanthamine Alkaloid Derivatives from the Zoantharian <i>Zoanthus vietnamensis</i> with Antimetastatic Activity.","The Journal of organic chemistry","2020","85","19","12553","12560","10.1021/acs.joc.0c01731","","","1.54178","CuKα","","0.1192","0.0714","","","0.1704","0.221","","","","","","0.917","","","","has coordinates","257141","2020-10-21","18:00:00",""
"4038776","8.9799","0.0006","10.3963","0.0007","15.1711","0.001","96.679","0.002","97.41","0.002","106.252","0.002","1331","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0695","0.0555","","","0.1523","0.1631","","","","","","1.028","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038777","14.3741","0.0017","11.5458","0.001","17.6215","0.0017","90","","97.324","0.004","90","","2900.6","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O5 S -","- C36 H28 N2 O5 S -","- C144 H112 N8 O20 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1292","0.1042","","","0.2682","0.2864","","","","","","1.097","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038778","8.9949","0.0007","12.2989","0.001","12.9055","0.0011","63.957","0.003","71.155","0.003","75.637","0.003","1204.46","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O4 S -","- C24 H18 N2 O4 S -","- C48 H36 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0824","0.0487","","","0.1143","0.1264","","","","","","1.044","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038779","14.2296","0.0008","8.9965","0.0005","20.0891","0.0012","90","","96.003","0.002","90","","2557.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O4 S -","- C25 H20 N2 O4 S -","- C100 H80 N8 O16 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1125","0.0565","","","0.1239","0.1448","","","","","","1.031","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038780","10.1008","0.0016","11.3688","0.0018","11.6597","0.0019","82.638","0.005","64.947","0.004","81.864","0.005","1197.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C56 H40 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0765","0.0645","","","0.1754","0.1802","","","","","","1.049","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038781","10.2791","0.0013","11.3288","0.0014","11.7187","0.0015","90.027","0.004","114.297","0.004","94.437","0.004","1239.3","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl N2 O6 S -","- C28 H19 Cl N2 O6 S -","- C56 H38 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0596","0.0457","","","0.1138","0.1218","","","","","","1.024","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038782","11.444","0.0019","11.462","0.002","12.299","0.002","88.192","0.005","63.357","0.005","73.396","0.005","1373","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O6 S -","- C32 H28 N2 O6 S -","- C64 H56 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1141","0.0652","","","0.1495","0.1733","","","","","","1.021","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038783","8.426","0.0007","11.0834","0.0009","15.3702","0.0012","91.376","0.003","96.474","0.003","102.111","0.003","1392.8","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Cl N2 O6 S -","- C32 H27 Cl N2 O6 S -","- C64 H54 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1209","0.0563","","","0.105","0.1261","","","","","","1.022","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038784","8.3862","0.0003","11.0478","0.0004","15.4388","0.0006","91.9752","0.0011","96.6881","0.0012","102.411","0.0012","1384.85","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 F N2 O6 S -","- C32 H27 F N2 O6 S -","- C64 H54 F2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0593","0.0468","","","0.12","0.128","","","","","","1.032","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038785","8.3197","0.0003","18.7648","0.0008","19.0758","0.001","90","","95.6621","0.0016","90","","2963.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O6 S -","- C36 H28 N2 O6 S -","- C144 H112 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1295","0.071","","","0.1268","0.1615","","","","","","1.009","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038786","15.1594","0.0009","13.7549","0.0008","14.4974","0.0008","90","","90","","90","","3022.9","0.3","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H25 F N2 O6 S -","- C35 H25 F N2 O6 S -","- C140 H100 F4 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.09","0.045","","","0.0772","0.0882","","","","","","1.034","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038787","11.62377","0.00013","11.62379","0.00012","19.3359","0.0002","90","","90","","90","","2612.52","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1H-indol-2-yl)-2-phenylethan-1-amine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Aksenov, Alexander V.; Griaznov, Georgii D.; Rubin, Michael","Synthesis of 2-(1<i>H</i>-Indol-2-yl)acetamides via Brønsted Acid-Assisted Cyclization Cascade.","The Journal of organic chemistry","2020","85","19","12128","12146","10.1021/acs.joc.0c01344","","x-ray","1.54184","CuKα","","0.0466","0.043","","","0.1306","0.1349","","","","","","1.046","","","","has coordinates,has disorder","257147","2020-10-21","18:00:00",""
"4038788","10.246","0.003","21.331","0.005","12.725","0.002","90","","113.59","0.008","90","","2548.7","1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O9 P2 -","- C22 H32 N2 O9 P2 -","- C88 H128 N8 O36 P8 -","4","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.1398","0.064","","","0.1225","0.155","","","","","","1.028","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038789","22.428","0.005","8.079","0.002","10.933","0.003","90","","101.949","0.008","90","","1938.1","0.8","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 O8 P2 -","- C17 H22 O8 P2 -","- C68 H88 O32 P8 -","4","0.5","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0845","0.0486","","","0.1067","0.1253","","","","","","1.034","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038790","13.6","0.0004","7.1637","0.0002","29.5605","0.001","90","","90","","90","","2879.97","0.15","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 O4 P -","- C16 H15 O4 P -","- C128 H120 O32 P8 -","8","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0606","0.0396","","","0.0876","0.0997","","","","","","1.061","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038791","23.9795","0.0003","23.9795","0.0003","13.6928","0.0002","90","","90","","90","","7873.58","0.18","99.98","0.1","99.98","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H28 Br N O6 S -","- C39 H28 Br N O6 S -","- C312 H224 Br8 N8 O48 S8 -","8","1","","Yan, Juzhang; Li, Xiaoping; Chen, Yuzhen; Li, Ying; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Organocatalytic 1,4-Addition of Azadienes with 3-Homoacyl Coumarins toward Highly Enantioenriched Benzofuran Coumarin Skeletons.","The Journal of organic chemistry","2020","85","19","12175","12186","10.1021/acs.joc.0c01379","","x-ray","1.54184","CuKα","","0.1017","0.0884","","","0.2383","0.2515","","","","","","1.051","","","","has coordinates","257142","2020-10-21","18:00:00",""
"4038792","7.073","0.0007","8.1167","0.0007","8.7016","0.0009","86.895","0.007","81.037","0.008","71.308","0.008","467.42","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Wang, Jian; Li, Jiang-Hua; Guo, Yidong; Dong, Hongbo; Liu, Qiang; Yu, Xiao-Qi","TEMPO-Mediated C-H Amination of Benzoxazoles with N-Heterocycles.","The Journal of organic chemistry","2020","85","19","12797","12803","10.1021/acs.joc.0c01921","","x-ray","1.54184","CuKα","","0.0607","0.0594","","","0.1536","0.1553","","","","","","1.082","","","","has coordinates","257149","2020-10-21","18:00:00",""
"4038793","9.5514","0.0013","10.8418","0.0015","18.966","0.003","90","","102.372","0.005","90","","1918.4","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H44 N4 O -","- C47 H44 N4 O -","- C94 H88 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0377","0.0368","","","0.1009","0.1019","","","","","","1.042","","","","has coordinates,has disorder","257150","2020-10-21","18:00:00",""
"4038794","12.5152","0.0011","8.1909","0.0007","18.3478","0.0016","90","","109.467","0.002","90","","1773.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H48 N4 O -","- C41 H48 N4 O -","- C82 H96 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0397","0.0392","","","0.1034","0.1041","","","","","","1.03","","","","has coordinates","257150","2020-10-21","18:00:00",""
"4038795","7.13243","0.00007","12.32391","0.00016","29.4905","0.0003","90","","90","","90","","2592.2","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F3 N2 O7 -","- C20 H21 F3 N2 O7 -","- C80 H84 F12 N8 O28 -","4","1","","Li, Luyao; Yang, Tianxiao; Zhang, Tao; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Tandem Cyclization/Michael Addition via Oxazol-5(2<i>H</i>)-One Formation: Access to Perfluoroalkyl-Containing <i>N</i>,<i>O</i>-Acetal Derivatives.","The Journal of organic chemistry","2020","85","19","12294","12303","10.1021/acs.joc.0c01545","","x-ray","1.54184","CuKα","","0.0444","0.0428","","","0.1187","0.1207","","","","","","1.035","","","","has coordinates,has disorder","257125","2020-10-21","18:00:00",""
"4038796","8.4921","0.0011","11.0952","0.0014","8.7511","0.0011","90","","118.324","0.002","90","","725.83","0.16","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O S2 -","- C15 H18 O S2 -","- C30 H36 O2 S4 -","2","1","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.0284","0.0277","","","0.0714","0.0721","","","","","","1.067","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038797","11.774","0.003","6.7993","0.0016","13.767","0.003","90","","101.189","0.004","90","","1081.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(but-3-en-2-yl)-1,3-dithiane-2-carboxylic acid","","- C9 H14 O2 S2 -","- C9 H14 O2 S2 -","- C36 H56 O8 S8 -","4","2","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.055","0.053","","","0.1531","0.1561","","","","","","1.001","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038798","12.959","0.004","15.165","0.003","29.378","0.007","75.8","0.03","86.69","0.02","86.896","0.01","5583","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128.25 H170.25 Cl6.75 O6 -","- C128.25 H170.25 Cl6.75 O6 -","- C256.5 H340.5 Cl13.5 O12 -","2","1","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.1598","0.1007","","","0.2737","0.3254","","","","","","1.042","","","","has coordinates,has disorder","257138","2020-10-21","18:00:00",""
"4038799","12.338","0.002","15.813","0.003","15.886","0.0006","62.331","0.011","80.881","0.01","68.02","0.03","2545","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","1","0.5","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.0436","0.042","","","0.1192","0.1208","","","","","","1.038","","","","has coordinates","257138","2020-10-21","18:00:00",""
"4038800","12.124","0.0011","21.984","0.002","16.7347","0.0015","90","","96.781","0.01","90","","4429.2","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N4 -","- C56 H48 N4 -","- C224 H192 N16 -","4","1","","Rakshit, Amitava; Kumar, Prashant; Alam, Tipu; Dhara, Hirendranath; Patel, Bhisma K.","Visible-Light-Accelerated Pd-Catalyzed Cascade Addition/Cyclization of Arylboronic Acids to γ- and β-Ketodinitriles for the Construction of 3-Cyanopyridines and 3-Cyanopyrrole Analogues.","The Journal of organic chemistry","2020","85","19","12482","12504","10.1021/acs.joc.0c01703","","","0.71073","MoKα","","0.2487","0.0772","","","0.1521","0.2415","","","","","","0.941","","","","has coordinates","257143","2020-10-21","18:00:00",""
"4038801","13.6616","0.0002","9.18547","0.00012","17.0339","0.0003","90","","112.93","0.002","90","","1968.65","0.06","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O2 S -","- C21 H20 Br N O2 S -","- C84 H80 Br4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0469","0.0444","","","0.1521","0.1567","","","","","","1.265","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038802","17.59534","0.00017","10.30762","0.00009","22.2729","0.0002","90","","106.229","0.001","90","","3878.58","0.06","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","11111","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C184 H152 N8 O24 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0385","0.0372","","","0.0986","0.0998","","","","","","1.047","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038803","21.6005","0.0007","9.3977","0.0003","18.9366","0.0007","90","","90","","90","","3844","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H40 N2 O4 S2 -","- C42 H42 N2 O4 S2 -","- C168 H168 N8 O16 S8 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","","1.54178","CuKα","","0.1025","0.0898","","","0.2087","0.2227","","","","","","1.457","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038804","9.6034","0.0002","10.0317","0.0002","12.4075","0.0002","99.201","0.002","111.404","0.002","102.937","0.002","1045.48","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C48 H34 N2 O6 S2 -","2","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0497","0.0439","","","0.1114","0.1219","","","","","","1.084","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038805","15.6423","0.0011","16.3109","0.0011","8.6514","0.0005","90","","101.62","0.007","90","","2162.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1011","0.0654","","","0.1735","0.237","","","","","","1.455","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038806","13.6766","0.0014","12.8566","0.0013","11.474","0.0011","90","","90","","90","","2017.5","0.3","293","2","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H18 F N O2 S -","- C25 H18 F N O2 S -","- C100 H72 F4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.0883","0.0552","","","0.1235","0.1549","","","","","","1.083","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038807","27.805","0.004","10.095","0.002","15.272","0.003","90","","96.621","0.017","90","","4258.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22 Cl N O2 S -","- C22.5 H22 Cl N O2 S -","- C180 H176 Cl8 N8 O16 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1701","0.0735","","","0.1772","0.2584","","","","","","1.031","","","","has coordinates,has disorder","257144","2020-10-21","18:00:00",""
"4038808","10.92844","0.00007","12.69071","0.00008","18.62518","0.00009","105.902","0.0005","94.5863","0.0005","113.405","0.0006","2227.08","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H71 Cl2 O3 P2 Rh -","- C45 H71 Cl2 O3 P2 Rh -","- C90 H142 Cl4 O6 P4 Rh2 -","2","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0303","0.0301","","","0.1219","0.1225","","","","","","1.171","","","","has coordinates","256593","2020-10-21","18:00:00",""
"4038809","13.14401","0.00004","24.0935","0.00007","14.52671","0.00004","90","","95.1545","0.0003","90","","4581.79","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H81.54 Au Cl O2 P2 -","- C48 H81.542 Au Cl O2 P2 -","- C192 H326.168 Au4 Cl4 O8 P8 -","4","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0245","0.0244","","","0.0621","0.0622","","","","","","1.146","","","","has coordinates,has disorder","256594","2020-10-21","18:00:00",""
"4038810","10.22661","0.00016","10.50804","0.00018","18.1253","0.0003","86.2203","0.0014","86.1003","0.0013","79.6142","0.0014","1908.57","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H132 Au2 Cl2 O P4 -","- C80 H132 Au2 Cl2 O P4 -","- C80 H132 Au2 Cl2 O P4 -","1","0.5","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0225","0.0217","","","0.0554","0.0558","","","","","","1.103","","","","has coordinates,has disorder","256595","2020-10-21","18:00:00",""
"4038811","9.3707","0.0002","9.9337","0.0002","10.031","0.0002","90.2806","0.0017","93.674","0.002","93.3011","0.0019","930.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H68 P2 -","- C44 H68 P2 -","- C44 H68 P2 -","1","0.5","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0343","0.0327","","","0.0827","0.0839","","","","","","1.062","","","","has coordinates","256596","2020-10-21","18:00:00",""
"4038812","10.29035","0.00011","20.32473","0.00018","16.76223","0.00015","90","","100.361","0.0009","90","","3448.63","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 P2 -","- C38 H62 P2 -","- C152 H248 P8 -","4","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0412","0.037","","","0.0947","0.0975","","","","","","1.046","","","","has coordinates,has disorder","256597","2020-10-21","18:00:00",""
"4038813","10.1846","0.0003","10.2395","0.0003","18.2242","0.0005","87.933","0.002","86.219","0.002","69.477","0.002","1775.85","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H66 P2 -","- C40 H66 P2 -","- C80 H132 P4 -","2","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0324","0.0322","","","0.0845","0.0847","","","","","","1.018","","","","has coordinates","256598","2020-10-21","18:00:00",""
"4038814","8.7772","0.0001","14.3162","0.0002","17.4904","0.0003","90","","97.518","0.001","90","","2178.88","0.05","100","2","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N -","- C14 H15 N -","- C112 H120 N8 -","8","2","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","x-ray","1.54184","CuKα","","0.0522","0.0476","","","0.1191","0.1223","","","","","","1.052","","","","has coordinates","256599","2020-10-21","18:00:00",""
"4038815","15.456","0.002","7.0443","0.0011","16.266","0.003","90","","91.746","0.004","90","","1770.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B F4 N O -","- C19 H20 B F4 N O -","- C76 H80 B4 F16 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.089","0.0514","","","0.1117","0.1321","","","","","","1.025","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038816","9.2376","0.0007","16.4663","0.0013","23.0599","0.0018","101.102","0.002","91.828","0.002","103.786","0.002","3331.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N O -","- C18 H18 B F4 N O -","- C144 H144 B8 F32 N8 O8 -","8","4","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1314","0.0578","","","0.1348","0.1662","","","","","","0.957","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038817","12.0267","0.0004","8.0762","0.0003","19.1306","0.0005","90","","96.044","0.003","90","","1847.83","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 B F4 N -","- C22 H20 B F4 N -","- C88 H80 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","1.54184","CuKα","","0.0891","0.0821","","","0.2002","0.205","","","","","","1.074","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038818","12.1916","0.0006","9.9536","0.0005","14.3268","0.0007","90","","100.697","0.001","90","","1708.35","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F4 N2 -","- C18 H21 B F4 N2 -","- C72 H84 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0611","0.0386","","","0.0896","0.1026","","","","","","1.028","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038819","8.3874","0.0006","12.2927","0.0009","15.2185","0.0011","90","","99.854","0.002","90","","1545.94","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F4 N -","- C19 H14 B F4 N -","- C76 H56 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0528","0.043","","","0.112","0.1193","","","","","","1.075","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038820","6.165","0.003","17.073","0.009","12.098","0.007","90","","90","","90","","1273.4","1.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1217","0.0607","","","0.1154","0.1414","","","","","","1.011","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038821","9.4054","0.0014","14.334","0.002","9.7907","0.0015","90","","91.688","0.004","90","","1319.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0876","0.0449","","","0.0892","0.1046","","","","","","1.01","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038822","14.3987","0.0004","13.0464","0.0004","12.6405","0.0004","90","","99.152","0.003","90","","2344.3","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 B2 F8 N2 O -","- C26 H20 B2 F8 N2 O -","- C104 H80 B8 F32 N8 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","x-ray","1.54184","CuKα","","0.0734","0.0598","","","0.1696","0.1797","","","","","","1.081","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038823","8.0529","0.0004","8.1749","0.0005","22.1907","0.0012","90","","90","","90","","1460.85","0.14","149.97","0.1","149.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0423","0.0364","","","0.0811","0.0841","","","","","","1.061","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038824","13.0463","0.001","12.6415","0.0009","22.773","0.002","90","","105.273","0.009","90","","3623.2","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","2","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0693","0.0485","","","0.1043","0.1165","","","","","","1.046","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038825","11.3043","0.0004","11.6698","0.0004","13.0106","0.0004","93.163","0.002","100.157","0.002","107.529","0.002","1600.24","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H28 N6 O2 -","- C40 H28 N6 O2 -","- C80 H56 N12 O4 -","2","1","","Tasior, Mariusz; Vakuliuk, Olena; Koga, Daiki; Koszarna, Beata; Górski, Krzysztof; Grzybowski, Marek; Kielesiński, Łukasz; Krzeszewski, Maciej; Gryko, Daniel T.","Method for the Large-Scale Synthesis of Multifunctional 1,4-Dihydro-pyrrolo[3,2-<i>b</i>]pyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01665","","","1.54178","CuKα","","0.0812","0.044","","","0.1251","0.1477","","","","","","1.039","","","","has coordinates","256629","2020-10-21","18:00:00",""
"4038826","6.0701","0.0001","25.7968","0.0006","10.8547","0.0003","90","","97.551","0.002","90","","1684.99","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 F12 N2 -","- C42 H30 F12 N2 -","- C84 H60 F24 N4 -","2","0.5","","Tasior, Mariusz; Vakuliuk, Olena; Koga, Daiki; Koszarna, Beata; Górski, Krzysztof; Grzybowski, Marek; Kielesiński, Łukasz; Krzeszewski, Maciej; Gryko, Daniel T.","Method for the Large-Scale Synthesis of Multifunctional 1,4-Dihydro-pyrrolo[3,2-<i>b</i>]pyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01665","","","1.54184","CuKα","","0.0421","0.0349","","","0.0911","0.0971","","","","","","1.021","","","","has coordinates","256630","2020-10-21","18:00:00",""
"4038827","22.445","0.003","10.5768","0.0013","8.1673","0.001","90","","92.685","0.005","90","","1936.8","0.4","200","2","199.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N3 -","- C22 H27 N3 -","- C88 H108 N12 -","4","0.5","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.0911","0.0588","","","0.158","0.1778","","","","","","1.031","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038828","8.9279","0.001","12.3384","0.0013","13.3669","0.0014","66.588","0.003","81.982","0.003","72.54","0.003","1288.6","0.2","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H39 N3 -","- C28 H39 N3 -","- C56 H78 N6 -","2","1","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.1121","0.0666","","","0.1538","0.1768","","","","","","1.026","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038829","9.851","0.0003","11.5233","0.0003","17.2368","0.0004","90","","90","","90","","1956.65","0.09","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0288","0.0276","","","0.072","0.0724","","","","","","1.009","","","","has coordinates","256678","2020-10-21","18:00:00",""
"4038830","8.8123","0.0002","30.9425","0.0007","9.2575","0.0002","90","","98.8763","0.0008","90","","2494.05","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 Li N3 P -","- C24 H39 Li N3 P -","- C96 H156 Li4 N12 P4 -","4","2","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.034","0.0337","","","0.0908","0.0911","","","","","","1.016","","","","has coordinates","256679","2020-10-21","18:00:00",""
"4038831","9.856","0.0002","11.5291","0.0002","17.2583","0.0004","90","","90","","90","","1961.07","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0306","0.0286","","","0.0738","0.0755","","","","","","1.033","","","","has coordinates","256680","2020-10-21","18:00:00",""
"4038832","10.8041","0.0006","15.3336","0.0008","13.3346","0.0007","90","","102.262","0.0014","90","","2158.7","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H54 B F4 N2 O4 P4 Rh -","- C40 H54 B F4 N2 O4 P4 Rh -","- C80 H108 B2 F8 N4 O8 P8 Rh2 -","2","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.0254","0.0254","","","0.0682","0.0682","","","","","","1.044","","","","has coordinates","256681","2020-10-21","18:00:00",""
"4038833","9.638","0.0009","16.4283","0.0014","12.1516","0.0013","90","","105.707","0.01","90","","1852.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 B F3 N2 O -","- C23 H16 B F3 N2 O -","- C92 H64 B4 F12 N8 O4 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","0.71073","MoKα","","0.0812","0.0656","","","0.1639","0.1791","","","","","","1.049","","","","has coordinates","257133","2020-10-21","18:00:00",""
"4038834","17.3714","0.0003","14.8912","0.0002","9.2154","0.0001","90","","104.076","0.001","90","","2312.27","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 B Br F3 N2 O4 -","- C25 H17 B Br F3 N2 O4 -","- C100 H68 B4 Br4 F12 N8 O16 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","1.54184","CuKα","","0.0372","0.0356","","","0.0942","0.0957","","","","","","1.05","","","","has coordinates,has disorder","257133","2020-10-21","18:00:00",""
"4038835","10.2581","0.0006","11.4654","0.0008","14.5949","0.0009","70.423","0.002","85.801","0.002","75.155","0.002","1563.19","0.17","157","2","157","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N2 O5 Si -","- C29 H36 N2 O5 Si -","- C58 H72 N4 O10 Si2 -","2","1","","Zhang, Yan-Xue; Chen, Ling-Yan; Sun, Jian-Ting; Si, Chang-Mei; Wei, Bang-Guo","Gold-Catalyzed Addition-<i>N</i>-Boc Cleavage-Cyclization of <i>N</i>,<i>O</i>-Acetal with Ynamides for Construction of 6-(<i>tert</i>-Butyldimethylsilyl)oxy-tetrahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-ones.","The Journal of organic chemistry","2020","85","19","12603","12613","10.1021/acs.joc.0c01776","","","0.71073","mokα","","0.0562","0.0426","","","0.1045","0.1137","","","","","","1.034","","","","has coordinates","257135","2020-10-21","18:00:00",""
"4038836","18.889","0.004","11.865","0.002","19.04","0.005","90","","90","","90","","4267.2","1.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Lim, Taehyun; Kim, Byeong Moon","Synthesis of α-aminophosphonates via phosphonylation of an aryne-imine adduct.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01410","","","0.71073","MoKα","","0.1547","0.0703","","","0.1833","0.2366","","","","","","1.031","","","","has coordinates","256685","2020-10-21","18:00:00",""
"4038837","11.4662","0.0015","13.068","0.002","16.186","0.002","82.877","0.009","88.111","0.009","79.015","0.011","2362.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","2","","Lepovitz, Lance T.; Martin, Stephen F.","Biomimetically Inspired, One-Step Synthesis of Exotine A and Exotine B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01524","","","0.71073","MoKα","","0.131","0.0797","","","0.1745","0.2133","","","","","","1.004","","","","has coordinates","256686","2020-10-21","18:00:00",""
"4038838","9.6838","0.0002","8.3369","0.0001","9.8668","0.0002","90","","116.416","0.002","90","","713.4","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Li, Shu-Sen; Wang, Jianbo","Cu(I)/Chiral Bisoxazoline-Catalyzed Enantioselective Sommelet-Hauser Rearrangement of Sulfonium Ylides.","The Journal of organic chemistry","2020","85","19","12343","12358","10.1021/acs.joc.0c01590","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.0596","0.0596","","","","","","1.028","","","","has coordinates","257151","2020-10-21","18:00:00",""
"4038839","23.2393","0.0013","7.5636","0.0004","7.3759","0.0004","90","","100.902","0.003","90","","1273.08","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.0494","0.0391","","","0.1052","0.1167","","","","","","1.05","","","","has coordinates","256777","2020-10-21","18:00:00",""
"4038840","6.381","0.004","13.803","0.009","7.88","0.005","90","","95.82","0.02","90","","690.5","0.8","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H20 N2 -","- C16 H20 N2 -","- C32 H40 N4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.064","0.0481","","","0.1111","0.1209","","","","","","1.028","","","","has coordinates","256778","2020-10-21","18:00:00",""
"4038841","7.327","0.004","15.647","0.009","7.711","0.004","90","","96.781","0.014","90","","877.8","0.8","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.1026","0.0662","","","0.1419","0.1596","","","","","","1.056","","","","has coordinates","256779","2020-10-21","18:00:00",""
"4038842","11.799","0.004","18.531","0.006","12.441","0.004","90","","101.186","0.012","90","","2668.5","1.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N O2 P -","- C29 H38 N O2 P -","- C116 H152 N4 O8 P4 -","4","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.0601","0.0512","","","0.1183","0.1263","","","","","","1.144","","","","has coordinates","256780","2020-10-21","18:00:00",""
"4038843","8.3188","0.0008","9.3992","0.0011","15.4909","0.0009","75.866","0.007","82.881","0.006","74.752","0.009","1130.91","0.19","291.63","0.1","291.63","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N O3 P -","- C28 H22 N O3 P -","- C56 H44 N2 O6 P2 -","2","1","","Lou, Qin-Xin; Niu, Yuan; Qi, Zhi-Chao; Yang, Shang-Dong","Ir(III)-Catalyzed C-H Functionalization of Triphenylphosphine Oxide Towards 3-Aryl Oxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00999","","x-ray","1.54184","CuKα","","0.096","0.0752","","","0.2115","0.2443","","","","","","1.104","","","","has coordinates","256833","2020-10-21","18:00:00",""
"4038844","8.7033","0.0006","10.3399","0.001","11.7859","0.0011","113.729","0.009","92.491","0.006","101.392","0.007","942.86","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C42 H48 N4 O4 -","2","1","","Yang, Zi; Yue, Qi; Yang, Mengqi; Zhang, Hong; Cui, Xiuling","Ru(II)-catalyzed tunable cascade reaction via C-H/C-C bond cleavage.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01614","","x-ray","0.71073","MoKα","","0.074","0.0487","","","0.1426","0.1683","","","","","","1.03","","","","has coordinates","256834","2020-10-21","18:00:00",""
"4038845","9.8585","0.0006","9.5244","0.0006","21.7395","0.0013","90","","99.223","0.002","90","","2014.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","","Golmohammadi, Farhad; Balalaie, Saeed; Fathi Vavsari, Vaezeh; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Synthesis of Spiro-β-lactam-pyrroloquinolines as Fused Heterocyclic Scaffolds through Post-transformation Reactions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01817","","","0.71073","MoKα","","0.0776","0.048","","","0.103","0.1168","","","","","","1.032","","","","has coordinates","256835","2020-10-21","18:00:00",""
"4038846","10.01784","0.00017","10.98794","0.00013","15.5845","0.0002","90","","105.645","0.0016","90","","1651.92","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N O3 -","- C18 H16 Cl N O3 -","- C72 H64 Cl4 N4 O12 -","4","1","","Peng, Haiyun; Zhang, Yu; Zhu, Yang; Deng, Guisheng","Silver(I)-catalyzed Domino Cyclization/Cyclopropanation/Ring-Cleavage/Nucleophilic Substitution Reaction of Enynones with Enamines: Synthesis of 4-(furan-2-yl)-3,4-dihydro-2<i>H</i>-pyrrol-2-one.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01711","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.0968","0.0988","","","","","","1.039","","","","has coordinates","256836","2020-10-21","18:00:00",""
"4038847","9.4553","0.0003","7.4507","0.0003","24.9074","0.0008","90","","90","","90","","1754.69","0.11","293.77","0.1","293.77","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O S2 -","- C19 H19 N O S2 -","- C76 H76 N4 O4 S8 -","4","1","","Cheng, Bin; Li, Hui; Hou, Jieping; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Xu, Wei; Wang, Taimin; Zhai, Hongbin","Synthesis of 3,4-Dihydro-2H-1,3-thiazines from α-Enolic Dithioesters and 1,3,5-Triazinanes via a Formal (3 + 3) Annulation Reaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01984","","x-ray","1.54184","CuKα","","0.0367","0.035","","","0.0873","0.0899","","","","","","1.092","","","","has coordinates","256837","2020-10-21","18:00:00",""
"4038848","5.921","0.0001","9.6597","0.0001","32.1824","0.0005","90","","90","","90","","1840.68","0.05","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Yuan, Jinping; Jain, Pankaj; Antilla, Jon C.","Bi(cyclopentyl)diol-Derived Boronates in Highly Enantioselective Chiral Phosphoric Acid-Catalyzed Allylation, Propargylation and Crotylation of Aldehydes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01646","","x-ray","1.54184","CuKα","","0.0368","0.0324","","","0.0826","0.0878","","","","","","1.078","","","","has coordinates","256875","2020-10-21","18:00:00",""
"4038849","9.11","0.0008","10.547","0.0009","11.7739","0.0011","90","","90","","90","","1131.27","0.17","298","2","298.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Zhao, Yulei; Guo, Xuqiang; Si, Zhiyao; Hu, Yanan; Sun, Ying; Liu, Yunlin; Ji, Zhongyin; You, Jinmao","Hydrosilane-Assisted Synthesis of Urea Derivatives from CO<sub>2</sub> and Amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02032","","","0.71073","MoKα","","0.1211","0.0506","","","0.1037","0.1346","","","","","","0.926","","","","has coordinates","256896","2020-10-21","18:00:00",""
"4038850","16.1173","0.001","6.0319","0.0003","19.9118","0.0013","90","","110.983","0.002","90","","1807.42","0.19","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan","Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02122","","","0.71073","MoKα","","0.0799","0.0424","","","0.0997","0.1164","","","","","","1.01","","","","has coordinates","256897","2020-10-21","18:00:00",""
"4038851","10.0472","0.001","9.0898","0.0008","20.6002","0.0019","90","","98.372","0.003","90","","1861.3","0.3","264","2","264","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C24 H18 N2 S -","- C24 H18 N2 S -","- C96 H72 N8 S4 -","4","1","","Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan","Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02122","","","0.71073","Mokα","","0.0769","0.0484","","","0.1274","0.15","","","","","","1.081","","","","has coordinates","256898","2020-10-21","18:00:00",""
"4038852","9.5102","0.0005","8.4541","0.0005","16.722","0.0009","90","","104.133","0.002","90","","1303.76","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","","Hu, Sha; Lu, Zuolin; Liu, Minjie; Xu, Hanlin; Wu, Jiale; Chen, Fener","TfOH-Catalyzed Cascade C-H Activation/Lactonization of Phenols with alpha-Aryl-alpha-Diazoesters: Rapid Access to alpha-Aryl Benzofuranones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01583","","","1.34138","GaKα","","0.0349","0.0322","","","0.0835","0.0861","","","","","","1.044","","","","has coordinates","256899","2020-10-21","18:00:00",""
"4038853","19.334","0.002","15.9626","0.0018","24.978","0.003","90","","97.191","0.001","90","","7648.1","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H87 N4 O4 -","- C93 H87 N4 O4 -","- C372 H348 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.142","0.0684","","","0.1483","0.1778","","","","","","1.003","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038854","13.151","0.002","18.373","0.003","29.23","0.005","90","","97.522","0.002","90","","7002","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H80 Cl2 N4 O4 -","- C85 H80 Cl2 N4 O4 -","- C340 H320 Cl8 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1914","0.0965","","","0.2307","0.2791","","","","","","1.017","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038855","14.701","0.002","38.079","0.006","14.624","0.002","90","","110.677","0.002","90","","7659.2","1.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H80 Cl2 N4 O4 -","- C85 H80 Cl2 N4 O4 -","- C340 H320 Cl8 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1564","0.0839","","","0.2372","0.2815","","","","","","1.034","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038856","15.172","0.003","15.412","0.003","17.553","0.004","81.596","0.003","75.237","0.003","86.921","0.003","3925.7","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C85.52 H83.04 Cl5.04 N4 O12 -","- C85.52 H83.04 Cl5.0395 N4 O12 -","- C171.04 H166.08 Cl10.079 N8 O24 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.2015","0.1192","","","0.2414","0.2775","","","","","","1.091","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038857","15.715","0.002","15.84","0.002","16.452","0.002","97.24","0.002","90.434","0.002","99.096","0.002","4010","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C87.5 H83 Cl3 F6 N4 O10 S2 -","- C87.5 H83 Cl3 F6 N4 O10 S2 -","- C175 H166 Cl6 F12 N8 O20 S4 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1178","0.0721","","","0.1587","0.1793","","","","","","1.022","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038858","15.3192","0.0015","16.6129","0.0017","17.287","0.0017","92.847","0.001","100.839","0.001","108.55","0.001","4068.1","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H81 Cl3 N4 O5 Zn -","- C86 H81 Cl3 N4 O5 Zn -","- C172 H162 Cl6 N8 O10 Zn2 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.0812","0.0617","","","0.171","0.1858","","","","","","1.017","","","","has coordinates","256900","2020-10-21","18:00:00",""
"4038859","9.2046","0.0002","16.5447","0.0004","21.3255","0.0005","90","","91.645","0.002","90","","3246.27","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N3 O P -","- C39 H34 N3 O P -","- C156 H136 N12 O4 P4 -","4","1","","Pattarawarapan, Mookda; Yamano, Dolnapa; Wiriya, Nittaya; Yimklan, Saranphong; Phakhodee, Wong","Simultaneous Formation and Functionalization of Aryliminophosphoranes Using 1,3-Dihydro-1<i>H</i>-benzimidazol-2-ones as Precursors.","The Journal of organic chemistry","2020","85","20","13330","13338","10.1021/acs.joc.0c01979","","x-ray","0.71073","MoKα","","0.0768","0.0522","","","0.1304","0.143","","","","","","1.069","","","","has coordinates,has disorder","258716","2020-11-04","01:30:35",""
"4038860","22.801","0.005","17.372","0.004","13.239","0.003","90","","94.494","0.007","90","","5228","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N O6.5 -","- C22 H28 N O6.5 -","- C176 H224 N8 O52 -","8","1","","Xiong, Wei; Wang, Xiaohong; Shen, Xianyan; Hu, Cuifang; Wang, Xin; Wang, Fei; Zhang, Guolin; Wang, Chun","Synthesis of Flavonols via Pyrrolidine Catalysis: Origins of the Selectivity for Flavonol versus Aurone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01869","","","1.34138","GaKα","","0.0706","0.0632","","","0.2012","0.2102","","","","","","1.066","","","","has coordinates,has disorder","256958","2020-10-21","18:00:00",""
"4038861","7.756","0.003","43.788","0.014","9.04","0.003","90","","114.516","0.008","90","","2793.4","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 Br O4 Si -","- C26 H41 Br O4 Si -","- C104 H164 Br4 O16 Si4 -","4","2","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","0.71073","MoKα","","0.0811","0.0527","","","0.0994","0.1105","","","","","","1.039","","","","has coordinates,has disorder","256959","2020-10-21","18:00:00",""
"4038862","24.0111","0.0015","24.0111","0.0015","22.65","0.002","90","","90","","120","","11309","1.4","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C450 H480 O90 -","30","5","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","1.54178","CuKα","","0.0851","0.0696","","","0.1835","0.1986","","","","","","1.041","","","","has coordinates,has disorder","256960","2020-10-21","18:00:00",""
"4038863","10.676","0.004","8.467","0.003","11.173","0.004","90","","106.897","0.004","90","","966.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Debnath, Sudipto; Das, Tuluma; Pati, Tanmay K.; Majumdar, Swapan; Maiti, Dilip K.","Metal-Free Indole-Phenacyl Bromide Cyclization: A Regioselective Synthesis of 3,5-Diarylcarbazoles.","The Journal of organic chemistry","2020","85","20","13272","13279","10.1021/acs.joc.0c01670","","","0.71073","MoKα","","0.0422","0.0358","","","0.0915","0.0983","","","","","","0.846","","","","has coordinates","258718","2020-11-04","01:30:53",""
"4038864","10.434","0.0007","6.0505","0.0004","29.2143","0.0019","90","","96.876","0.002","90","","1831.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 O3 P -","- C22 H21 O3 P -","- C88 H84 O12 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","0.71073","MoKα","","0.075","0.051","","","0.1111","0.1206","","","","","","1.08","","","","has coordinates","256962","2020-10-21","18:00:00",""
"4038865","10.6804","0.0004","7.2713","0.0003","12.814","0.0005","90","","90.712","0.002","90","","995.06","0.07","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 O3 P -","- C9 H13 O3 P -","- C36 H52 O12 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","0.71073","MoKα","","0.0496","0.0363","","","0.1205","0.1339","","","","","","0.954","","","","has coordinates","256963","2020-10-21","18:00:00",""
"4038866","9.7568","0.0003","16.9083","0.0005","11.2062","0.0003","90","","94.842","0.002","90","","1842.1","0.09","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F6 P -","- C21 H13 F6 P -","- C84 H52 F24 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","1.54178","CuKα","","0.0637","0.0463","","","0.1129","0.1233","","","","","","1.022","","","","has coordinates","256964","2020-10-21","18:00:00",""
"4038867","21.8967","0.0007","8.026","0.0002","25.7249","0.0011","90","","111.928","0.004","90","","4193.9","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 N2 P4 -","- C42 H58 N2 P4 -","- C168 H232 N8 P16 -","4","0.5","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.061","0.043","","","0.093","0.101","","","","","","1.028","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038868","12.6527","0.0007","13.775","0.0007","16.0646","0.0005","104.584","0.004","98.638","0.003","115.784","0.005","2329","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N2 P4 -","- C48 H66 N2 P4 -","- C96 H132 N4 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.1245","0.0601","","","0.0995","0.1246","","","","","","1.008","","","","has coordinates,has disorder","257185","2020-10-21","18:00:00",""
"4038869","11.3964","0.0005","13.8689","0.0007","15.4979","0.0007","106.832","0.004","103.174","0.004","105.045","0.004","2139.1","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H62 N2 P4 -","- C44 H62 N2 P4 -","- C88 H124 N4 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0972","0.0503","","","0.0991","0.118","","","","","","0.995","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038870","10.11","0.03","11.896","0.016","12.699","0.017","113.23","0.016","104.32","0.02","98.18","0.02","1310","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,10-Di(4?-methylbenzyl)-3,8,12,17-(RSSR)-tetra(pyridine-2?-yl)-3,8,12,17- tetraoxo-1,10-diaza?3,8,12,17?tetraphosphacyclooctadecane","","- C24 H29 N3 O2 P2 -","- C24 H29 N3 O2 P2 -","- C48 H58 N6 O4 P4 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.2882","0.0788","","","0.1697","0.2549","","","","","","0.891","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038871","13.1558","0.0002","21.3869","0.0003","16.3943","0.0003","90","","108.413","0.002","90","","4376.58","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 B2 F8 N2 Ni P4 -","- C42 H58 B2 F8 N2 Ni P4 -","- C168 H232 B8 F32 N8 Ni4 P16 -","4","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0737","0.0449","","","0.0906","0.1017","","","","","","1.028","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038872","10.99","0.0017","13.243","0.002","20.297","0.003","88.718","0.002","84.969","0.002","71.022","0.002","2782.6","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","[(1,10-Di(4?-methylbenzyl)-3,8,12,17-(RSSR)-tetra(pyridine-2?-yl)-1,10-diaza?3,8,12,17? tetraphosphacyclooctadecane)nickel(II) tetrafluoroborate","","- C48 H58 B2 F8 N6 Ni P4 -","- C48 H58 B2 F8 N6 Ni P4 -","- C96 H116 B4 F16 N12 Ni2 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0662","0.0483","","","0.1371","0.153","","","","","","0.984","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038873","10.957","0.003","19.503","0.004","13.36","0.003","90","","106.509","0.003","90","","2737.3","1.1","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[(1,10-Di((R)-(1?-phenylethyl)-3,8,12,17-(RSSR)-tetra(4-methylpyridine-2?-yl)-1,10-diaza? 3,8,12,17?tetraphosphacyclooctadecane)nickel(II) tetrafluoroborate","","- C52 H66 B2 F8 N6 Ni O0 P4 -","- C52 H66 B2 F8 N6 Ni P4 -","- C104 H132 B4 F16 N12 Ni2 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0841","0.0587","","","0.1531","0.1738","","","","","","0.968","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038874","8.1218","0.0009","11.2194","0.001","13.0487","0.001","65.267","0.008","79.27","0.008","78.503","0.008","1051.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N2 O6 -","- C21 H27 N2 O6 -","- C42 H54 N4 O12 -","2","1","","Chen, Yanhui; Lv, Weiwei; Ba, Dan; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Chemoselective Synthesis of 2-Aminocinnamyl Esters via Sequential Amination and Olefination of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01695","","x-ray","0.71073","MoKα","","0.1063","0.0664","","","0.1515","0.1733","","","","","","0.989","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4038875","6.7505","0.0001","13.9462","0.0001","22.3174","0.0002","90","","90","","90","","2101.05","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0794","0.0821","","","","","","1.051","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038876","6.0637","0.0001","16.8612","0.0002","19.9302","0.0002","90","","90","","90","","2037.69","0.05","169.99","0.11","169.99","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0441","0.0415","","","0.1055","0.1116","","","","","","1.069","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038877","6.3659","0.0002","17.1828","0.0006","20.1654","0.0008","66.231","0.002","89.24","0.002","89.986","0.002","2018.46","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C93 H65 Cl3 O7 -","- C93 H63 Cl3 O7 -","- C93 H63 Cl3 O7 -","1","1","","Zhang, Xiang-Zhi; Li, Bao Qiong; Qiu, Zong-Wang; Ma, Aijun; Peng, Jin-Bao; Du, Ji-Yuan; Feng, Na; Xu, Xue-Tao; Pan, Han-Peng","Synthesis of Naphthopyrans <i>via</i> Formal (3+3)-Annulation of Propargylic (Aza)-<i>para</i>-Quinone Methides with Naphthols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01791","","","1.54178","CuKα","","0.0697","0.0619","","","0.1647","0.173","","","","","","1.019","","","","has coordinates,has disorder","258237","2020-10-21","18:00:00",""
"4038878","6.4266","0.0003","15.5268","0.0006","16.3329","0.0006","90","","90","","90","","1629.77","0.12","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Yadav, Jyothi; Pawar, Amol Prakash; Nagare, Yadav Kacharu; Iype, Eldhose; Rangan, Krishnan; Ohshita, Joji; Kumar, Dalip; Kumar, Indresh","Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02141","","x-ray","0.71073","MoKα","","0.0311","0.0258","","","0.0598","0.0615","","","","","","1.073","","","","has coordinates","258277","2020-10-21","18:00:00",""
"4038879","9.3426","0.0009","21.642","0.002","7.3217","0.0007","90","","95.5215","0.0019","90","","1473.5","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","El-Hage, Firas; Schöll, Christopher; Pospech, Jola","Photo-mediated Decarboxylative Giese-Type Reaction using Organic Pyrimidopteridine Photoredox Catalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01955","","","0.71073","MoKα","","0.0522","0.041","","","0.105","0.1157","","","","","","1.028","","","","has coordinates","258278","2020-10-21","18:00:00",""
"4038880","29.9197","0.0013","21.7163","0.0008","12.1918","0.0004","90","","90","","90","","7921.6","0.5","200","2","200","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C90 H108 N6 -","- C90 H108 N6 -","- C360 H432 N24 -","4","0.5","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.1258","0.0614","","","0.1262","0.1555","","","","","","1.063","","","","has coordinates,has disorder","258307","2020-10-21","18:00:00",""
"4038881","11.9345","0.0003","11.9345","0.0003","40.593","0.002","90","","90","","120","","5007.1","0.3","200","2","200","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C48 H66 N8 -","- C48 H66 N8 -","- C192 H264 N32 -","4","0.666667","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.2291","0.1747","","","0.391","0.4431","","","","","","1.724","","","","has coordinates","258307","2020-10-21","18:00:00",""
"4038882","13.1663","0.0008","14.0425","0.0008","18.3518","0.001","71.914","0.004","88.948","0.005","85.804","0.005","3216.7","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 N6 -","- C66 H84 N6 -","- C132 H168 N12 -","2","1","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.1243","0.0754","","","0.1913","0.2201","","","","","","1.044","","","","has coordinates","258307","2020-10-21","18:00:00",""
"4038883","7.919","0.002","34.155","0.009","7.5867","0.0019","90","","92.857","0.009","90","","2049.5","0.9","299","2","298.92","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.0621","0.0508","","","0.1243","0.1304","","","","","","1.15","","","","has coordinates","258312","2020-10-21","18:00:00",""
"4038884","52.965","0.015","8.731","0.002","14.249","0.004","90","","90","","90","","6589","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C320 H256 N32 O32 -","16","2","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.1202","0.0665","","","0.1315","0.1482","","","","","","1.116","","","","has coordinates","258313","2020-10-21","18:00:00",""
"4038885","7.7764","0.0002","16.2542","0.0006","17.3988","0.0006","62.893","0.004","87.319","0.003","78.993","0.003","1919.58","0.13","249.97","0.18","249.97","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C48.05 H40 N4 O4 -","- C48.04 H40 N4 O4 -","- C96.08 H80 N8 O8 -","2","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","x-ray","0.71073","MoKα","","0.1243","0.0618","","","0.1579","0.1964","","","","","","1.001","","","","has coordinates","258314","2020-10-21","18:00:00",""
"4038886","7.9652","0.0007","8.0725","0.0008","30.441","0.003","95.554","0.004","95.804","0.004","96.061","0.004","1925","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N6 O4 -","- C48 H34 N6 O4 -","- C96 H68 N12 O8 -","2","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.1772","0.0851","","","0.1762","0.2081","","","","","","1.077","","","","has coordinates","258315","2020-10-21","18:00:00",""
"4038887","7.12","0.0006","7.8736","0.0006","21.6656","0.0019","90","","93.465","0.001","90","","1212.35","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br2 F O2 S -","- C10 H7 Br2 F O2 S -","- C40 H28 Br8 F4 O8 S4 -","4","1","","Zhang, Zai-Wei; Wang, Shi-Meng; Fang, Wan-Yin; Lekkala, Ravindar; Qin, Hua-Li","A protocol for stereoselective construction of highly functionalized dienyl sulfonyl fluoride warheads.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01877","","","0.71073","MoKα","","0.0458","0.033","","","0.0786","0.0821","","","","","","1.092","","","","has coordinates","258316","2020-10-21","18:00:00",""
"4038888","10.5346","0.0005","15.4968","0.0007","10.755","0.0006","90","","110.95","0.004","90","","1639.71","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl F6 N3 -","- C15 H16 Cl F6 N3 -","- C60 H64 Cl4 F24 N12 -","4","2","","Dinh, Andrew N.; Maddox, Sean M.; Vaidya, Sagar D.; Saputra, Mirza A.; Nalbandian, Christopher J.; Gustafson, Jeffrey L.","Catalyst-Controlled Regioselective Chlorination of Phenols and Anilines through a Lewis Basic Selenoether Catalyst","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01917","","x-ray","1.54178","CuKα","","0.1016","0.0638","","","0.1525","0.1775","","","","","","1.025","","","","has coordinates","258317","2020-10-21","18:00:00",""
"4038889","13.4355","0.0004","14.6914","0.0004","19.5353","0.0006","90","","90","","90","","3856","0.2","100","0.2","100","0.2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","1","","Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui","One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01833","","","1.54178","CuKα","","0.0262","0.0256","","","0.0662","0.0667","","","","","","1.093","","","","has coordinates","258348","2020-10-21","18:00:00",""
"4038890","6.1618","0.0005","8.7522","0.0006","20.3805","0.0017","88.042","0.006","84.239","0.007","78.625","0.006","1071.96","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C58 H46 N2 O4 -","2","1","","Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui","One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01833","","","0.71073","MoKα","","0.1434","0.0564","","","0.1379","0.1547","","","","","","1.009","","","","has coordinates","258349","2020-10-21","18:00:00",""
"4038891","6.9527","0.0002","6.30259","0.00016","7.5416","0.0002","90","","114.963","0.004","90","","299.6","0.017","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H3 Cl N4 -","- C5 H3 Cl N4 -","- C10 H6 Cl2 N8 -","2","0.5","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0319","0.0319","","","0.0832","0.0832","","","","","","1.123","","","","has coordinates","258401","2020-10-21","18:00:00",""
"4038892","7.6546","0.0006","10.4869","0.0007","11.4484","0.0008","71.511","0.006","82.118","0.006","82.695","0.006","859.9","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N5 O -","- C20 H19 N5 O -","- C40 H38 N10 O2 -","2","1","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0417","0.0358","","","0.0938","0.0987","","","","","","1.031","","","","has coordinates","258402","2020-10-21","18:00:00",""
"4038893","9.27494","0.00016","8.81723","0.00013","12.0155","0.0002","90","","92.8415","0.0017","90","","981.41","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0347","0.0323","","","0.0863","0.0889","","","","","","1.068","","","","has coordinates","258403","2020-10-21","18:00:00",""
"4038894","8.3608","0.0001","16.9291","0.0001","23.1401","0.0002","90","","90","","90","","3275.27","0.05","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 S Si2 -","- C30 H50 O4 S Si2 -","- C120 H200 O16 S4 Si8 -","4","1","","Kim, Hyun Su; Park, Hyunkyung; Lim, Juhee; Lim, Changjin; Kim, Taewoo; Lee, Seungbeom; Hur, Joonseong; Sim, Jaehoon; Choi, Hyun Jin; Suh, Young-Ger","Collective Syntheses of Guaiane Sesquiterpenes: Stereoselective Syntheses of (+)-Dysodensiol F, (+)-10β,14-Dihydroxy-<i>allo</i>-aromadendrane, and (-)-Dendroside C Aglycon.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01907","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0721","0.073","","","","","","1.019","","","","has coordinates,has disorder","258404","2020-10-21","18:00:00",""
"4038895","10.878","0.006","17.189","0.01","8.189","0.005","90","","107.049","0.012","90","","1463.9","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","","Shi, Wei; Ma, Fang; Li, Pinhua; Wang, Lei; Miao, Tao","Visible-Light-Induced Decarboxylative Cyclization/Hydrogenation Cascade Reaction to Access Phenanthridin-6-yl(aryl)methanol by an Electron Donor‒Acceptor Complex","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01916","","","0.71073","MoKα","","0.108","0.0541","","","0.1256","0.1587","","","","","","0.999","","","","has coordinates","258432","2020-10-21","18:00:00",""
"4038896","8.1816","0.0005","17.041","0.0009","12.2796","0.0008","90","","107.688","0.007","90","","1631.12","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl2 N3 Pd -","- C38 H37 Cl2 N3 Pd -","- C76 H74 Cl4 N6 Pd2 -","2","1","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","","0.71073","MoKα","","0.0242","0.0228","","","0.0544","0.0553","","","","","","1.056","","","","has coordinates","258452","2020-10-21","18:00:00",""
"4038897","21.7121","0.0008","21.2886","0.0008","16.5409","0.0007","90","","111.614","0.002","90","","7108","0.5","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl3 N3 Pd -","- C38 H36 Cl3 N3 Pd -","- C304 H288 Cl24 N24 Pd8 -","8","2","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","x-ray","0.71073","MoKα","","0.0928","0.0468","","","0.1056","0.1241","","","","","","1.016","","","","has coordinates,has disorder","258453","2020-10-21","18:00:00",""
"4038898","15.5895","0.0005","14.6791","0.0006","19.4121","0.0007","90","","94.969","0.003","90","","4425.6","0.3","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 Cl2 N2 P Pd -","- C51 H47 Cl2 N2 P Pd -","- C204 H188 Cl8 N8 P4 Pd4 -","4","1","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","","0.71073","MoKα","","0.0644","0.0451","","","0.0931","0.1024","","","","","","1.045","","","","has coordinates,has disorder","258454","2020-10-21","18:00:00",""
"4038899","31.5592","0.0013","12.8309","0.0005","8.3107","0.0003","90","","94.379","0.003","90","","3355.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O7 S8 -","- C28 H35 N O7 S8 -","- C112 H140 N4 O28 S32 -","4","1","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","1.54184","CuKα","","0.0528","0.0377","","","0.0807","0.086","","","","","","1.034","","","","has coordinates","258521","2020-10-21","05:25:51",""
"4038900","19.695","0.004","9.1282","0.0016","21.618","0.004","90","","96.451","0.011","90","","3861.9","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 O12 -","- C46 H46 N2 O12 -","- C184 H184 N8 O48 -","4","2","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","1.54178","CuKα","","0.0579","0.0449","","","0.0998","0.1064","","","","","","1.031","","","","has coordinates,has disorder","258523","2020-10-21","05:26:23",""
"4038901","13.6717","0.0013","9.8821","0.001","28.639","0.003","90","","90.657","0.004","90","","3869","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N4 O10 -","- C44 H50 N4 O10 -","- C176 H200 N16 O40 -","4","1","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","0.71073","MoKα","","0.0664","0.0522","","","0.1187","0.1254","","","","","","1.088","","","","has coordinates,has disorder","258524","2020-10-21","05:26:49",""
"4038902","20.1817","0.0004","5.8935","0.0001","21.8822","0.0005","90","","108.294","0.001","90","","2471.14","0.09","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C96 H140 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0634","0.0515","","","0.1373","0.1538","","","","","","1.059","","","","has coordinates","258532","2020-10-21","23:21:46",""
"4038903","5.9728","0.0004","12.6582","0.0008","31.5671","0.0019","90","","90","","90","","2386.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N O5 -","- C24 H34 N O5 -","- C96 H136 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0985","0.0586","","","0.1533","0.1829","","","","","","0.91","","","","has coordinates","258532","2020-10-21","23:21:47",""
"4038904","10.1898","0.0017","20.428","0.003","24.565","0.004","90","","90","","90","","5113.4","1.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H69 N O8 Si2 -","- C49 H69 N O8 Si2 -","- C196 H276 N4 O32 Si8 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","0.71073","MoKα","","0.1108","0.0615","","","0.1546","0.181","","","","","","1.015","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038905","6.9385","0.0002","11.2966","0.0004","16.5485","0.0006","90","","93.908","0.001","90","","1294.08","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C50 H70 N2 O14 -","2","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0505","0.0394","","","0.1114","0.118","","","","","","1.06","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038906","5.1493","0.0004","24.3955","0.0012","34.606","0.003","90","","90","","90","","4347.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Br3 N O8 -","- C45 H43 Br3 N O8 -","- C180 H172 Br12 N4 O32 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.1724","0.1129","","","0.3081","0.3554","","","","","","1.127","","","","has coordinates,has disorder","258532","2020-10-21","23:21:48",""
"4038907","13.0523","0.0014","10.5054","0.0011","17.776","0.0019","90","","98.567","0.002","90","","2410.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Ge, Junying; Ding, Qiuping; Long, Xujing; Liu, Xuan; Peng, Yiyuan","Copper(II)-Catalyzed Domino Synthesis of 4-Benzenesulfonyl Isoxazoles from 2-Nitro-1,3-enynes, Amines, and Sodium Benzenesulfinate","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01964","","","0.71073","MoKα","","0.0572","0.0401","","","0.1019","0.1104","","","","","","1.031","","","","has coordinates","258533","2020-10-21","23:22:25",""
"4038908","21.1613","0.0017","8.9412","0.0007","10.6525","0.0009","90","","90","","90","","2015.5","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C88 H100 N4 O32 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.0383","0.0355","","","0.0917","0.094","","","","","","1.074","","","","has coordinates","258534","2020-10-21","23:23:36",""
"4038909","13.7326","0.0016","9.2331","0.0011","19.795","0.002","90","","94.273","0.002","90","","2502.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N O10 -","- C26 H33 N O10 -","- C104 H132 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.0575","0.0433","","","0.1171","0.1266","","","","","","1.036","","","","has coordinates,has disorder","258534","2020-10-21","23:23:36",""
"4038910","12.2847","0.0014","17.7579","0.0019","12.6581","0.0014","90","","116.277","0.002","90","","2476","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O10 -","- C26 H31 N O10 -","- C104 H124 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.073","0.0475","","","0.1175","0.1305","","","","","","1.029","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038911","8.0864","0.0013","12.184","0.002","15.082","0.003","104.931","0.003","105.413","0.002","92.31","0.003","1374.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cl2 N O10 -","- C27 H33 Cl2 N O10 -","- C54 H66 Cl4 N2 O20 -","2","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.1213","0.1029","","","0.3081","0.3293","","","","","","1.071","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038912","10.3752","0.0002","9.7872","0.0002","21.5064","0.0005","90","","100.142","0.001","90","","2149.73","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C92 H100 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","1.54178","CuKα","","0.0479","0.0375","","","0.0891","0.0962","","","","","","1.039","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038913","11.4151","0.0005","11.6462","0.0005","12.5464","0.0006","94.5164","0.0013","93.3913","0.0013","106.558","0.0012","1588","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C72 H96 N8 O4 -","2","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","1.54178","CuKα","","0.0501","0.0487","","","0.1309","0.1322","","","","","","1.155","","","","has coordinates,has disorder","258535","2020-10-21","23:25:56",""
"4038914","16.1303","0.0007","11.074","0.0005","17.9593","0.0008","90","","97.4689","0.0017","90","","3180.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C144 H192 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.053","0.0432","","","0.1159","0.1222","","","","","","1.064","","","","has coordinates,has disorder","258535","2020-10-21","23:25:58",""
"4038915","13.3711","0.0005","12.805","0.0005","20.1366","0.0007","90","","90","","90","","3447.7","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C152 H216 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0551","0.0432","","","0.1085","0.1157","","","","","","1.052","","","","has coordinates,has disorder","258535","2020-10-21","23:25:58",""
"4038916","7.7374","0.0013","10.168","0.0015","11.5734","0.0019","66.641","0.006","84.803","0.007","82.683","0.007","828.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","1","0.5","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0746","0.0571","","","0.154","0.1626","","","","","","1.085","","","","has coordinates","258535","2020-10-21","23:26:00",""
"4038917","8.6099","0.0004","13.0696","0.0005","15.3288","0.0006","75.546","0.002","85.851","0.002","73.985","0.002","1605.48","0.12","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C72 H96 N8 O4 -","2","2","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","1.54178","CuKα","","0.0422","0.0393","","","0.1045","0.1066","","","","","","1.073","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038918","28.938","0.002","15.8655","0.0009","16.4572","0.0011","90","","120.87","0.002","90","","6485.4","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N4 O2 -","- C35.9865 H47.9815 N3.9985 O1.9995 -","- C287.892 H383.852 N31.988 O15.996 -","8","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0843","0.0671","","","0.1789","0.1887","","","","","","1.14","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038919","11.2338","0.0005","12.1485","0.0005","24.1749","0.001","90","","95.6697","0.0018","90","","3283.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N4 O2 -","- C36 H50 N4 O2 -","- C144 H200 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0647","0.0582","","","0.1541","0.1579","","","","","","1.128","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038920","9.5399","0.0002","9.9824","0.0002","13.668","0.0003","90","","90","","90","","1301.62","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Ma, Yun-Bao; Huang, Xiao-Yan; Zhang, Xue-Mei; Chen, Ji-Jun","Artatrovirenols A and B: Two Cagelike Sesquiterpenoids from Artemisia atrovirens","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01491","","","1.54178","CuKα","","0.0308","0.0306","","","0.0804","0.0808","","","","","","1.097","","","","has coordinates","258566","2020-10-22","23:31:20",""
"4038921","9.5603","0.0005","15.4396","0.0007","14.7968","0.0007","90","","92.646","0.002","90","","2181.79","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C116 H100 N12 O4 -","4","1","","Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.","Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01882","","","0.71073","MoKα","","0.0948","0.0661","","","0.1498","0.1665","","","","","","1.029","","","","has coordinates","258586","2020-10-23","23:12:05",""
"4038922","11.7391","0.0006","12.2007","0.0007","13.0911","0.0007","102.355","0.0018","103.287","0.0018","104.958","0.0018","1686.84","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H29 N3 -","- C44 H29 N3 -","- C88 H58 N6 -","2","1","","Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.","Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01882","","","0.71073","MoKα","","0.08","0.0603","","","0.1333","0.1441","","","","","","1.035","","","","has coordinates","258587","2020-10-23","23:12:29",""
"4038923","11.0745","0.0008","4.6972","0.0003","15.6995","0.0009","90","","100.785","0.006","90","","802.25","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate","","- C8 H7 N O2 S -","- C8 H7 N O2 S -","- C32 H28 N4 O8 S4 -","4","1","","Vogt, Astrid; Henne, Florian; Wetzel, Christoph; Mena-Osteritz, Elena; Bäuerle, Peter","Synthesis and characterization of S,N-heterotetracenes","Beilstein Journal of Organic Chemistry","2020","16","","2636","2644","10.3762/bjoc.16.214","","x-ray","0.71073","MoKα","","0.0513","0.0367","","","0.0757","0.0855","","","","","","1.032","","","","has coordinates","258611","2020-10-27","05:30:33",""
"4038924","18.7848","0.0018","30.833","0.003","16.9686","0.0018","90","","92.29","0.002","90","","9820.2","1.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 N6 -","- C55 H80 N6 -","- C440 H640 N48 -","8","2","","Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.","Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01708","","x-ray","0.71073","MoKα","","0.1004","0.0663","","","0.1754","0.2086","","","","","","1.033","","","","has coordinates","258620","2020-10-28","00:21:58",""
"4038925","11.406","0.002","11.952","0.002","12.014","0.002","87.77","0.03","64.09","0.03","89.1","0.03","1472.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H43 N3 O3 -","- C30 H43 N3 O3 -","- C60 H86 N6 O6 -","2","1","","Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.","Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01708","","","0.71073","MoKα","","0.0893","0.0765","","","0.2279","0.2417","","","","","","1.034","","","","has coordinates,has disorder","258620","2020-10-28","00:21:59",""
"4038926","9.0147","0.0003","10.9941","0.0005","11.1906","0.0005","90","","90","","90","","1109.08","0.08","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl2 O3 -","- C11 H8 Cl2 O3 -","- C44 H32 Cl8 O12 -","4","1","","Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak","Correction to ""Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters"".","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02380","","x-ray","0.71073","MoKα","K-L~3~","0.0349","0.0305","","","0.0796","0.0827","","","","","","1.037","","","","has coordinates","258639","2020-10-30","00:22:09",""
"4038927","10.818","0.005","10.444","0.005","10.9","0.005","90","","105.617","0.017","90","","1186.1","1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 O3 -","- C12 H10 Cl2 O3 -","- C48 H40 Cl8 O12 -","4","1","","Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak","Correction to ""Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters"".","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02380","","x-ray","0.71073","MoKα","K-L~3~","0.0372","0.0317","","","0.0821","0.086","","","","","","1.035","","","","has coordinates","258640","2020-10-30","00:22:31",""
"4038928","9.4467","0.0002","28.7768","0.0006","10.3242","0.0002","90","","90","","90","","2806.59","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H35 Cl2 N3 O4 -","- C29 H35 Cl2 N3 O4 -","- C116 H140 Cl8 N12 O16 -","4","1","","Blasco-Brusola, Alejandro; Vayá, Ignacio; Miranda, Miguel A.","Influence of the Linking Bridge on the Photoreactivity of Benzophenone-Thymine Conjugates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02088","","x-ray","1.54178","CuKα","","0.0605","0.0492","","","0.1261","0.1332","","","","","","1.033","","","","has coordinates,has disorder","258641","2020-10-30","00:22:54",""
"4038929","9.6091","0.0005","10.3612","0.0006","12.9622","0.0009","85.879","0.005","77.215","0.005","80.871","0.004","1241.7","0.13","112","19","112","19","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C58 H60 N4 O10 -","2","1","","Cui, Hai-Lei; Liu, Si-Wei; Xiao, Xue","Synthesis of Tetrahydroindolizino[8,7-b]indole Derivatives in the Presence of Fe(OTf)3 or CF3SO3H through Intramolecular Dearomatization of Indole","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02188","","x-ray","0.71073","MoKα","","0.0603","0.0469","","","0.1047","0.1129","","","","","","1.048","","","","has coordinates","258660","2020-10-31","00:22:18",""
"4038930","10.3387","0.0005","15.7767","0.0005","11.6622","0.0006","90","","115.548","0.006","90","","1716.24","0.16","292.76","0.1","292.76","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl N S2 -","- C19 H18 Cl N S2 -","- C76 H72 Cl4 N4 S8 -","4","1","","Jia, Hongbin; Min, Deng; Guo, Tianyun; Wu, Mingzhong; Wang, Xiaolei; Liu, Jian; Tang, Shouchu","Dithiane Induced [3+2] Cycloaddition Tactic for the Convergent Synthesis of Dihydropyrrole and Pyrrole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01145","","","1.54184","CuKα","","0.0578","0.0516","","","0.1444","0.1529","","","","","","1.044","","","","has coordinates","259101","2020-11-12","00:22:57",""
"4038931","23.974","0.002","7.3487","0.0007","22.763","0.002","90","","90","","90","","4010.3","0.6","120","","120","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C49 H38 N2 O5 S3 -","- C49 H38 N2 O5 S3 -","- C196 H152 N8 O20 S12 -","4","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.1254","0.1015","","","0.2622","0.2804","","","","","","1.054","","","","has coordinates,has disorder","259275","2020-11-29","00:07:59",""
"4038932","15.6023","0.0012","16.9894","0.0013","25.0925","0.0019","90","","96.251","0.0017","90","","6611.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H29 N2 O4.5 S3 -","- C39.5 H29 N2 O4.5 S3 -","- C316 H232 N16 O36 S24 -","8","2","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","","0.6889","synchrotron","","0.073","0.0655","","","0.1711","0.1769","","","","","","1.045","","","","has coordinates,has disorder","271326","2021-12-10","12:32:36",""
"4038933","7.3353","0.0009","13.8284","0.0016","19.709","0.002","96.934","0.007","93.806","0.007","105.314","0.006","1904","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 D6 N2 O5 S4 -","- C44 H30 D6 N2 O5 S4 -","- C88 H60 D12 N4 O10 S8 -","2","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","1.54184","CuKα","","0.1482","0.0621","","","0.1292","0.1686","","","","","","0.979","","","","has coordinates,has disorder","259277","2020-11-29","00:08:46",""
"4038934","13.751","0.003","12.365","0.003","20.967","0.006","90","","104.142","0.009","90","","3457","1.5","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H34 N2 O4 S3 -","- C44 H34 N2 O4 S3 -","- C176 H136 N8 O16 S12 -","4","0.5","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.0701","0.0646","","","0.1422","0.1454","","","","","","1.15","","","","has coordinates,has disorder","259278","2020-11-29","00:09:08",""
"4038935","7.3272","0.0002","13.9943","0.0005","21.5754","0.0008","93.0414","0.0017","92.2764","0.0015","105.033","0.0016","2130.31","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H31 Cl3 N2 O6 S3 -","- C47.35 H30.7 Cl3 N2 O6 S3 -","- C94.7 H61.4 Cl6 N4 O12 S6 -","2","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","1.54184","CuKα","","0.0796","0.0566","","","0.1365","0.1536","","","","","","1.023","","","","has coordinates,has disorder","259279","2020-11-29","00:09:35",""
"4038936","7.1372","0.0006","7.2212","0.0005","18.9343","0.0012","89.548","0.005","85.809","0.006","69.902","0.007","913.83","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O3 S -","- C18 H19 N5 O3 S -","- C36 H38 N10 O6 S2 -","2","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","0.71073","MoKα","","0.0943","0.0583","","","0.1229","0.1454","","","","","","1.006","","","","has coordinates","259479","2020-12-03","06:09:03",""
"4038937","10.21","0.006","7.242","0.006","26.864","0.015","90","","97.45","0.05","90","","1970","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N4 O5 S -","- C17 H14 N4 O5 S -","- C68 H56 N16 O20 S4 -","4","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","1.54184","CuKα","","0.0544","0.0462","","","0.1285","0.1316","","","","","","1.009","","","","has coordinates","259480","2020-12-03","06:09:31",""
"4038938","9.4172","0.0008","11.4155","0.001","13.0409","0.0009","97.171","0.006","96.461","0.006","109.787","0.008","1290.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N7 O7 S -","- C23 H27 N7 O7 S -","- C46 H54 N14 O14 S2 -","2","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","0.71073","MoKα","","0.1325","0.0632","","","0.1537","0.2221","","","","","","1.008","","","","has coordinates","259481","2020-12-03","06:10:07",""
"4038939","17.4426","0.0006","19.3528","0.0008","15.3931","0.0004","90","","96.8","0.001","90","","5159.6","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 Br O10 -","- C56 H70 Br O10 -","- C224 H280 Br4 O40 -","4","1","","Sheng, Xinru; Li, Errui; Huang, Feihe","Construction of pillar[4]arene[1]quinone‒1,10-dibromodecane pseudorotaxanes in solution and in the solid state","Beilstein Journal of Organic Chemistry","2020","16","","2954","2959","10.3762/bjoc.16.245","","","0.71073","MoKα","","0.0705","0.048","","","0.1227","0.135","","","","","","1.046","","","","has coordinates","259482","2020-12-03","06:10:41",""
"4038940","9.9355","0.0001","17.2277","0.0002","10.3753","0.0002","90","","112.62","0.002","90","","1639.29","0.05","301.07","0.1","301.07","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Vershinin, Vlada; Forkosh, Hagit; Ben-Lulu, Mor; Libman, Anna; Pappo, Doron","Mechanistic Insights into the FeCl<sub>3</sub>-Catalyzed Oxidative Cross-Coupling of Phenols with 2-Aminonaphthalenes.","The Journal of organic chemistry","2020","86","1","79","90","10.1021/acs.joc.0c00874","","x-ray","1.54184","CuKα","","0.0511","0.0452","","","0.128","0.1342","","","","","","1.07","","","","has coordinates","260433","2021-01-04","03:18:29",""
"4038941","13.2686","0.0003","7.4126","0.0002","13.3406","0.0003","90","","93.271","0.001","90","","1309.97","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N S -","- C13 H15 F4 N S -","- C52 H60 F16 N4 S4 -","4","1","","Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D.","Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction","Beilstein Journal of Organic Chemistry","2020","16","","3104","3108","10.3762/bjoc.16.260","","","0.71073","MoKα","","0.0509","0.0364","","","0.0896","0.0984","","","","","","1.023","","","","has coordinates,has disorder","260223","2020-12-30","06:28:54",""
"4038942","13.413","0.0003","7.3746","0.0002","13.884","0.0003","90","","90.257","0.001","90","","1373.33","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F4 N O2 -","- C14 H15 F4 N O2 -","- C56 H60 F16 N4 O8 -","4","1","","Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D.","Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction","Beilstein Journal of Organic Chemistry","2020","16","","3104","3108","10.3762/bjoc.16.260","","","0.71073","MoKα","","0.0606","0.0406","","","0.1097","0.1205","","","","","","1.046","","","","has coordinates","260224","2020-12-30","06:29:20",""
"4038943","10.3223","0.0004","6.0857","0.0003","11.5807","0.0005","90","","94.121","0.002","90","","725.6","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","","0.71073","MoKα","","0.0592","0.0533","","","0.141","0.1463","","","","","","1.07","","","","has coordinates","260347","2021-01-02","00:10:44",""
"4038944","7.6019","0.0005","12.1084","0.0008","18.2856","0.0011","90","","90","","90","","1683.13","0.19","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C76 H96 Cl4 N4 O4 -","4","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","x-ray","0.71073","MoKα","","0.085","0.0387","","","0.0565","0.0625","","","","","","0.833","","","","has coordinates","260348","2021-01-02","00:11:05",""
"4038965","52.4504","0.0019","7.4685","0.0003","25.3205","0.0009","90","","114.77","0.001","90","","9006.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cr O6 S3 -","- C20 H18 Cr O6 S3 -","- C320 H288 Cr16 O96 S48 -","16","2","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0388","0.0321","","","0.0947","0.0994","","","","","","1.039","","","","has coordinates,has disorder","272274","2022-01-27","09:50:35",""
"4038966","7.7699","0.0007","10.8891","0.0011","17.2416","0.0017","104.632","0.004","94.044","0.004","96.766","0.004","1394","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 Cr2 O12 S3 -","- C24 H12 Cr2 O12 S3 -","- C48 H24 Cr4 O24 S6 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0552","0.0309","","","0.075","0.083","","","","","","1.001","","","","has coordinates","272275","2022-01-27","09:50:53",""
"4038967","7.4794","0.0007","11.9763","0.0011","12.1963","0.0012","110.742","0.003","91.017","0.003","103.342","0.003","988.15","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6.5 Cr0.5 N0.5 O2.5 S1.5 -","- C9 H6.5 Cr0.5 N0.5 O2.5 S1.5 -","- C36 H26 Cr2 N2 O10 S6 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0347","0.0285","","","0.0691","0.0722","","","","","","1.025","","","","has coordinates,has disorder","272276","2022-01-27","09:51:06",""
"4038968","6.8382","0.0007","9.8055","0.001","14.0893","0.0013","104.167","0.003","97.269","0.003","104.205","0.003","870.3","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cr O6 S3 -","- C16 H8 Cr O6 S3 -","- C32 H16 Cr2 O12 S6 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0324","0.028","","","0.0672","0.0692","","","","","","1.047","","","","has coordinates","272277","2022-01-27","09:51:18",""
"4038969","7.6425","0.0001","9.4015","0.0002","16.089","0.0003","94.709","0.001","99.669","0.001","90.36","0.001","1135.5","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H8 O9 S3 W1.5 -","- C19 H8 O9 S3 W1.5 -","- C38 H16 O18 S6 W3 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","1.54184","CuKα","","0.0568","0.0491","","","0.1192","0.1235","","","","","","1.045","","","","has coordinates","272278","2022-01-27","09:51:31",""
"4038970","19.5378","0.0006","6.4155","0.0002","15.0044","0.0004","90","","99.372","0.003","90","","1855.62","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 N O5 S3 W -","- C16 H9 N O5 S3 W -","- C64 H36 N4 O20 S12 W4 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0552","0.0528","","","0.1422","0.1438","","","","","","1.15","","","","has coordinates","272279","2022-01-27","09:51:44",""
"4038971","6.5741","0.0005","15.1714","0.001","32.44","0.002","90","","95.543","0.003","90","","3220.4","0.4","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N2 O10 S3 W2 -","- C24 H14 N2 O10 S3 W2 -","- C96 H56 N8 O40 S12 W8 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","1.54178","CuKα","","0.1159","0.0582","","","0.1498","0.2062","","","","","","1.196","","","","has coordinates","272280","2022-01-27","09:51:56",""
"4038979","8.5589","0.0006","19.2664","0.0014","20.8738","0.0013","90","","90","","90","","3442.1","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","S_R_C4","","","- C26 H44 Cl4 N2 O Pd2 S2 -","- C26 H44 Cl4 N2 O Pd2 S2 -","- C104 H176 Cl16 N8 O4 Pd8 S8 -","4","1","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0478","0.0359","","","0.0775","0.0913","","","","","","1.158","","","","has coordinates","272287","2022-01-27","10:25:18",""
"4038980","11.2972","0.0005","16.7556","0.0007","11.4331","0.0005","90","","92.288","0.002","90","","2162.46","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","CSZS355","","","- C19 H26 Cl2 N P Pd -","- C19 H26 Cl2 N P Pd -","- C76 H104 Cl8 N4 P4 Pd4 -","4","2","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0465","0.0333","","","0.0667","0.0711","","","","","","1.042","","","","has coordinates","272287","2022-01-27","10:25:19",""
"4038981","8.6699","0.0003","13.3643","0.0005","20.1262","0.0008","90","","90","","90","","2331.97","0.15","293","0.1","293","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","FG581","","","- C19 H26 Cl4 N P Pd -","- C19 H26 Cl4 N P Pd -","- C76 H104 Cl16 N4 P4 Pd4 -","4","1","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0208","0.0203","","","0.0552","0.056","","","","","","1.089","","","","has coordinates","272287","2022-01-27","10:25:19",""
"4039026","8.971","0.005","9.039","0.005","11.497","0.005","76.613","0.005","89.317","0.005","69.446","0.005","846.7","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl4 N3 Pd S2 -","- C12 H11 Cl4 N3 Pd S2 -","- C24 H22 Cl8 N6 Pd2 S4 -","2","1","","Fernandez-Delgado, Elena de la Cruz-Martinez, Felipe Galan, Carmen Franco, Lourdes Espino, Javier Vinuelas-Zahinos, Emilio Lu Bejarano, Ignacio","Pt(II) and Pd(II) complexes with a thiazoline derivative ligand: Synthesis, structural characterization, antiproliferative activity and evaluation of proapoptotic ability in tumor cell lines HT-29 and U-937","Journal of Inorganic Biochemistry","2020","202","","110870","","10.1016/j.jinorgbio.2019.110870","","","0.71069","MoKα","","0.0271","0.0256","","","0.0626","0.0636","","","","","","1.027","","","","has coordinates","289707","2024-02-05","17:14:18",""
"4133910","11.5979","0.0004","12.4869","0.0003","13.0234","0.0005","111.577","0.003","107.814","0.003","103.415","0.003","1538.21","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","1","0.5","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.0729","0.0661","","","0.1885","0.1954","","","","","","1.077","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133911","8.76533","0.0001","40.6863","0.0004","21.4744","0.0002","90","","98.1999","0.001","90","","7580.09","0.14","93","","93","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C81 H53 Cl15 N8 -","- C81 H52 Cl15 N8 -","- C324 H208 Cl60 N32 -","4","1","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.1275","0.1104","","","0.3106","0.3274","","","","","","1.043","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133912","10.2772","0.0004","6.1873","0.0002","11.9566","0.0005","90","","113.206","0.004","90","","698.79","0.05","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C28 H38 B2 O8 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0289","0.0286","","","0.0663","0.0664","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133913","25.9588","0.0008","6.6139","0.0002","11.2968","0.0003","90","","92.514","0.002","90","","1937.67","0.1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 B O3 -","- C22 H29 B O3 -","- C88 H116 B4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0642","0.0624","","","0.1233","0.1244","","","","","","1.064","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133914","7.9153","0.0002","9.4724","0.0002","12.8773","0.0002","100.926","0.002","101.026","0.002","94.341","0.002","924.2","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 B N O3 -","- C21 H24 B N O3 -","- C42 H48 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0464","0.0458","","","0.1051","0.1055","","","","","","1.055","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133915","25.3806","0.0006","6.6166","0.0001","31.099","0.0008","90","","112.921","0.003","90","","4810.2","0.2","98","2","98","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H34 B2 O4 -","- C25 H34 B2 O4 -","- C200 H272 B16 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0561","0.0547","","","0.1191","0.12","","","","","","1.072","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133916","7.5748","0.0002","7.5235","0.0002","13.5891","0.0004","90","","91.676","0.003","90","","774.1","0.04","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0347","0.0343","","","0.0863","0.0866","","","","","","1.05","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133917","10.5926","0.0002","21.6904","0.0003","14.3419","0.0002","90","","107.969","0.002","90","","3134.44","0.09","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B O3 -","- C17 H21 B O3 -","- C136 H168 B8 O24 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0615","0.0588","","","0.1225","0.1243","","","","","","1.069","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133918","8.4082","0.0005","8.7515","0.0005","10.3759","0.0003","107.497","0.004","105.684","0.004","97.298","0.005","682.79","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 B F3 O2 -","- C13 H16 B F3 O2 -","- C26 H32 B2 F6 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0867","0.0758","","","0.1456","0.1491","","","","","","1.091","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133919","8.0689","0.0002","19.1049","0.0005","8.649","0.0002","90","","90","","90","","1333.29","0.06","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H11 B F3 K O5 -","- C10 H11 B F3 K O5 -","- C40 H44 B4 F12 K4 O20 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0222","0.0221","","","0.0593","0.0593","","","","","","1.089","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133920","14.7645","0.0004","7.7901","0.0002","16.2371","0.0004","90","","107.458","0.002","90","","1781.52","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 I N O4 -","- C18 H22 I N O4 -","- C72 H88 I4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0338","0.0336","","","0.0918","0.092","","","","","","1.1","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133921","20.3444","0.0005","9.5619","0.0002","13.8608","0.0003","90","","103.721","0.002","90","","2619.41","0.1","98","3","98","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0498","0.0488","","","0.1042","0.1049","","","","","","1.069","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133922","9.1074","0.0006","10.4748","0.0006","11.1129","0.0007","90.07","0.005","103.031","0.005","112.623","0.006","948.81","0.11","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 B N O3 -","- C22 H26 B N O3 -","- C44 H52 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0474","","","0.099","0.0998","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133923","5.8375","0.0002","17.0381","0.0004","13.9958","0.0004","90","","94.048","0.002","90","","1388.55","0.07","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C56 H76 B4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0433","0.0427","","","0.105","0.1055","","","","","","1.019","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133924","9.4219","0.0003","11.3625","0.0003","16.4678","0.0004","104.315","0.002","92.465","0.002","114.483","0.003","1533.34","0.09","98","2","98","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H38 B Cl3 O5 -","- C32 H38 B Cl3 O5 -","- C64 H76 B2 Cl6 O10 -","2","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.035","0.0342","","","0.0854","0.0861","","","","","","1.023","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133925","17.8482","0.0004","7.0235","0.0002","22.7583","0.0006","90","","90","","90","","2852.91","0.13","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B O4 -","- C14 H21 B O4 -","- C112 H168 B8 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0476","","","0.1066","0.1072","","","","","","1.07","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133926","10.1479","0.0002","10.5387","0.0003","31.4024","0.0007","90","","90","","90","","3358.35","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B O2 -","- C20 H21 B O2 -","- C160 H168 B8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0667","0.0644","","","0.1352","0.1366","","","","","","1.086","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133927","13.7679","0.0004","7.5766","0.0002","12.4291","0.0003","90","","92.295","0.002","90","","1295.49","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O2 -","- C13 H18 B F O2 -","- C52 H72 B4 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.05","0.0493","","","0.1174","0.1179","","","","","","1.071","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133928","6.7381","0.0002","12.3279","0.0004","15.8619","0.0005","90","","96.91","0.003","90","","1308.02","0.07","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O3 -","- C13 H18 B F O3 -","- C52 H72 B4 F4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0409","0.0407","","","0.0951","0.0953","","","","","","1.072","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133929","9.4792","0.0002","11.0501","0.0002","13.2369","0.0003","90","","90","","90","","1386.51","0.05","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0254","0.0252","","","0.0665","0.0667","","","","","","1.015","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133930","17.2944","0.0014","6.5162","0.0004","11.397","0.0008","90","","106.818","0.008","90","","1229.44","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 O4 -","- C26 H36 B2 O4 -","- C52 H72 B4 O8 -","2","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.071","0.0411","","","0.0715","0.0757","","","","","","1.038","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133931","27.1253","0.0012","6.6649","0.0002","12.131","0.0006","90","","119.012","0.006","90","","1917.93","0.18","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 B N O4 -","- C19 H26 B N O4 -","- C76 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0463","0.046","","","0.1273","0.1275","","","","","","1.076","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133932","10.008","0.0003","19.8705","0.0008","9.1491","0.0002","90","","90","","90","","1819.43","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C68 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0361","0.0347","","","0.0785","0.0792","","","","","","1.09","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133933","8.5562","0.0003","13.8694","0.0006","6.9835","0.0003","90","","90","","90","","828.73","0.06","98","2","98","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C5 H5 B F4 K N O -","- C5 H5 B F4 K N O -","- C20 H20 B4 F16 K4 N4 O4 -","4","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0229","0.0229","","","0.0634","0.0634","","","","","","1.031","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133934","7.9672","0.0006","14.849","0.0011","15.3855","0.0011","99.669","0.002","100.389","0.003","103.341","0.003","1699.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Au Cl2 N3 -","- C37 H36 Au N3 -","- C74 H72 Au2 N6 -","2","1","","Leung, Ming-Yi; Tang, Man-Chung; Cheung, Wai-Lung; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Thermally Stimulated Delayed Phosphorescence (TSDP)-Based Gold(III) Complexes of Tridentate Pyrazine-Containing Pincer Ligand with Wide Emission Color Tunability and Their Application in Organic Light-Emitting Devices","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12136","","","1.34138","GaKα","","0.107","0.0863","","","0.1955","0.2083","","","","","","0.986","","","","has coordinates,has disorder","246779","2020-10-21","18:00:00",""
"4133935","13.0495","0.001","14.571","0.0011","19.6685","0.0016","86.267","0.003","86.395","0.003","76.885","0.003","3630.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H39 Au Cl N3 -","- C42 H38 Au N3 -","- C168 H152 Au4 N12 -","4","2","","Leung, Ming-Yi; Tang, Man-Chung; Cheung, Wai-Lung; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Thermally Stimulated Delayed Phosphorescence (TSDP)-Based Gold(III) Complexes of Tridentate Pyrazine-Containing Pincer Ligand with Wide Emission Color Tunability and Their Application in Organic Light-Emitting Devices","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12136","","","1.34138","GaKα","","0.0586","0.0396","","","0.0783","0.0853","","","","","","1.054","","","","has coordinates,has disorder","246780","2020-10-21","18:00:00",""
"4133937","11.9458","0.0005","15.1939","0.0005","16.5538","0.0006","76.623","0.002","88.347","0.002","73.614","0.002","2802.19","0.18","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N6 O8 S -","- C46 H60 N6 O8 S -","- C92 H120 N12 O16 S2 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.34139","GaKα","","0.1579","0.1139","","","0.2252","0.2461","","","","","","1.067","","","","has coordinates,has disorder","247524","2020-10-21","18:00:00",""
"4133938","11.7856","0.0002","15.0499","0.0004","17.5779","0.0004","68.685","0.002","71.465","0.002","71.534","0.002","2681.5","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H77 N6 O9 -","- C56 H77 N6 O9 -","- C112 H154 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54184","CuKα","","0.0844","0.0725","","","0.1925","0.2013","","","","","","1.037","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133939","12.8492","0.0011","14.4967","0.0012","16.6539","0.0014","102.285","0.004","91.716","0.004","112.279","0.004","2783.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H62 N6 O8 -","- C50 H62 N6 O8 -","- C100 H124 N12 O16 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.1597","0.0963","","","0.2107","0.2422","","","","","","1.078","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133940","12.0076","0.0006","14.8684","0.0007","17.0843","0.0008","73.739","0.002","86.373","0.003","68.275","0.002","2717.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H68 N6 O9 -","- C52 H68 N6 O9 -","- C104 H136 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.2511","0.125","","","0.2221","0.2804","","","","","","1.003","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133941","12.13","0.002","14.831","0.003","16.344","0.003","78.46","0.03","88.91","0.03","69.37","0.03","2691.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Cl6 N6 O4 -","- C48 H57 Cl6 N6 O4 -","- C96 H114 Cl12 N12 O8 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","0.68875","synchrotron","","0.2016","0.1903","","","0.3995","0.4041","","","","","","1.016","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133942","11.0628","0.0002","26.8155","0.0004","9.3804","0.0001","90","","98.755","0.001","90","","2750.31","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O4 -","- C30 H36 N4 O4 -","- C120 H144 N16 O16 -","4","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.065","0.0619","","","0.1635","0.1664","","","","","","1.028","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133943","11.7742","0.0005","17.2343","0.0008","13.6399","0.0006","90","","95.461","0.002","90","","2755.2","0.2","230","2","230.19","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0849","0.0474","","","0.1035","0.1285","","","","","","1.025","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133944","11.6624","0.0004","17.1444","0.0005","13.6082","0.0004","90","","95.398","0.001","90","","2708.82","0.15","110","2","110.26","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.062","0.0424","","","0.0958","0.1104","","","","","","1.037","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133945","11.7141","0.0003","17.1834","0.0005","13.6219","0.0003","90","","95.444","0.001","90","","2729.56","0.12","170","2","170.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0682","0.0434","","","0.0968","0.1161","","","","","","1.045","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133946","9.5948","0.0006","9.7067","0.0006","15.6253","0.0011","79.68","0.003","84.432","0.003","84.978","0.003","1421.28","0.16","297","2","296.79","","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.1615","0.0652","","","0.1163","0.1525","","","","","","1.004","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133947","11.8538","0.0005","17.2687","0.0007","13.6467","0.0006","90","","95.481","0.002","90","","2780.7","0.2","293","","296.79","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.114","0.0508","","","0.1131","0.1506","","","","","","1.002","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133948","17.8903","0.0005","18.0868","0.0004","30.1101","0.0008","90","","90","","90","","9743","0.4","219.99","0.18","219.99","0.18","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cl2 -","- C58 H58 Cl2 -","- C464 H464 Cl16 -","8","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.1231","0.1048","","","0.2671","0.2862","","","","","","1.931","","","","has coordinates","246837","2020-10-21","18:00:00",""
"4133949","20.2079","0.0006","22.8871","0.0006","7.4713","0.0002","90","","90","","90","","3455.48","0.17","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44 H40 Si2 -","- C44 H40 Si2 -","- C176 H160 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","","1.54178","CuKα","","0.1514","0.1362","","","0.331","0.3447","","","","","","2.585","","","","has coordinates,has disorder","246838","2020-10-21","18:00:00",""
"4133950","11.8645","0.0002","24.612","0.0003","14.0385","0.0002","90","","112.963","0.002","90","","3774.52","0.11","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cl2 Si2 -","- C44 H42 Cl2 Si2 -","- C176 H168 Cl8 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0443","0.0393","","","0.1063","0.1135","","","","","","1.057","","","","has coordinates","246839","2020-10-21","18:00:00",""
"4133951","17.3007","0.0001","18.6049","0.0001","31.7768","0.0002","90","","102.475","0.001","90","","9986.76","0.11","219.97","0.15","219.97","0.15","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 -","- C65 H64 -","- C520 H512 -","8","2","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0644","0.0553","","","0.1405","0.1505","","","","","","1.031","","","","has coordinates,has disorder","246840","2020-10-21","18:00:00",""
"4133952","15.31234","0.00006","13.83765","0.00006","23.82042","0.00013","90","","98.3057","0.0004","90","","4994.29","0.04","170","0.1","170","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H40 Si2 -","- C79 H40 Si2 -","- C316 H160 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0636","0.0615","","","0.178","0.1815","","","","","","1.06","","","","has coordinates,has disorder","246841","2020-10-21","18:00:00",""
"4133954","43.512","0.006","43.512","0.006","27.788","0.005","90","","90","","120","","45562","12","100","2","100.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C864 H1440 K36 O720 -","18","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0779","0.0665","","","0.1939","0.2115","","","","","","1.044","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133955","31.089","0.002","31.089","0.002","61.485","0.006","90","","90","","90","","59427","8","100","2","100.1","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C186 H283 K6 O142 -","- C186 H283 K6 O142 -","- C1488 H2264 K48 O1136 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0936","0.0732","","","0.1932","0.2073","","","","","","1.004","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133956","31.212","0.0012","31.212","0.0012","61.302","0.003","90","","90","","90","","59720","4","100","2","100.01","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C193 H311 K6 O154 -","- C193 H311 K6 O154 -","- C1544 H2488 K48 O1232 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1452","0.0736","","","0.1782","0.2147","","","","","","0.974","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133957","31.0134","0.0014","31.0134","0.0014","31.0134","0.0014","90","","90","","90","","29830","2","100","2","100.07","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C576 H960 K24 O480 -","12","0.25","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1369","0.1085","","","0.3079","0.341","","","","","","1.347","","","","has coordinates","247525","2020-10-21","18:00:00",""
"4133958","26.397","0.002","12.179","0.0011","16.274","0.0018","90","","96.21","0.003","90","","5201.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 Cl2 O10 -","- C66 H62 Cl2 O10 -","- C264 H248 Cl8 O40 -","4","0.5","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0729","0.0528","","","0.1324","0.1477","","","","","","1.026","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133959","8.593","0.003","18.778","0.006","19.167","0.005","62.663","0.01","84.421","0.011","85.31","0.03","2732","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C130 H120 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1935","0.1213","","","0.3163","0.3725","","","","","","1.021","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133960","16.777","0.008","32.962","0.013","19.166","0.007","90","","91.3","0.2","90","","10596","8","373","2","373","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C520 H480 O80 -","8","2","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1535","0.089","","","0.2247","0.2667","","","","","","1.02","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133961","13.171","0.003","13.404","0.0013","17.673","0.0011","76.093","0.007","80.772","0.006","88.492","0.004","2989.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H66 Cl6 O10 -","- C68 H66 Cl6 O10 -","- C136 H132 Cl12 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0468","0.0436","","","0.1143","0.1169","","","","","","1.052","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133962","10.323","0.0015","13.772","0.0008","21.117","0.0006","107.381","0.003","86.9","0.01","99.769","0.01","2823.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.9 H63.8 Cl3.8 O10 -","- C66.9 H63.8 Cl3.8 O10 -","- C133.8 H127.6 Cl7.6 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0492","0.044","","","0.1164","0.1209","","","","","","1.023","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133963","16.0633","0.0014","13.4867","0.0011","18.5991","0.0014","90","","90","","90","","4029.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[mCH]Cu(O2N)(ClO4)2","","","- C35 H49 Cl2 Cu N7 O13 -","- C35 H49 Cl2 Cu N7 O13 -","- C140 H196 Cl8 Cu4 N28 O52 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0734","0.0441","","","0.0785","0.0884","","","","","","1.018","","","","has coordinates","247532","2020-10-21","18:00:00",""
"4133964","13.007","0.004","16.788","0.005","18.574","0.006","90","","103.666","0.009","90","","3941","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[mCH]CuCl(ClO4)2","","","- C35 H49 Cl3 Cu N6 O11 -","- C35 H49 Cl3 Cu N6 O11 -","- C140 H196 Cl12 Cu4 N24 O44 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0746","0.0447","","","0.1067","0.1219","","","","","","1.019","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133965","12.2345","0.0019","12.3329","0.0018","13.275","0.002","112.421","0.004","110.003","0.005","96.959","0.005","1665.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[mC]Cu(O2N)(ClO4)","","","- C33 H45.35 Cl Cu N6 O9.17 -","- C33 H45.348 Cl Cu N6 O9.174 -","- C66 H90.696 Cl2 Cu2 N12 O18.348 -","2","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0371","0.0305","","","0.0731","0.0765","","","","","","1.056","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133966","21.826","0.002","14.923","0.0015","21.694","0.002","90","","104.035","0.003","90","","6855","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[mC]Zn(O2N)(ClO4)","","","- C33 H45 Cl N6 O9 Zn -","- C33 H45 Cl N6 O9 Zn -","- C264 H360 Cl8 N48 O72 Zn8 -","8","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.1747","0.0665","","","0.1144","0.134","","","","","","0.935","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133967","7.1737","0.0004","9.0077","0.0005","11.2753","0.0006","78.169","0.004","76.779","0.005","84.426","0.004","693.25","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0335","0.029","","","0.0684","0.0718","","","","","","1.097","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133968","7.1724","0.0005","9.0455","0.0005","11.3389","0.0007","78.035","0.005","76.862","0.006","84.337","0.005","699.8","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0483","0.0381","","","0.0875","0.0962","","","","","","1.084","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133969","7.1985","0.0006","9.0868","0.0006","11.4367","0.0008","77.856","0.006","76.835","0.006","84.259","0.006","711.06","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0329","","","0.0737","0.0812","","","","","","1.057","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133970","7.1977","0.0005","9.1039","0.0005","11.47","0.0007","77.76","0.005","76.956","0.005","84.228","0.005","714.46","0.08","225","","225","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0736","0.0786","","","","","","1.052","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133971","7.2034","0.0005","9.1326","0.0005","11.5371","0.0007","77.61","0.005","76.995","0.005","84.19","0.005","721.17","0.08","250","","250","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0464","0.0329","","","0.0746","0.083","","","","","","1.03","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133972","7.2072","0.0005","9.1517","0.0005","11.5869","0.0006","77.501","0.005","77.039","0.005","84.118","0.005","725.96","0.08","265","","265","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0437","0.0357","","","0.09","0.0973","","","","","","1.042","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133973","7.2024","0.0004","9.176","0.0005","11.6626","0.0007","77.256","0.005","77.158","0.005","84.012","0.004","731.74","0.07","285","","285","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0448","0.0345","","","0.0849","0.0928","","","","","","1.047","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133974","7.2034","0.0004","9.1958","0.0006","11.7123","0.0008","77.17","0.006","77.261","0.005","83.959","0.005","736.55","0.08","290","","290","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0357","","","0.0969","0.1065","","","","","","1.037","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133975","7.199","0.0004","9.2156","0.0005","11.7675","0.0008","76.977","0.005","77.346","0.006","83.954","0.005","740.85","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0557","0.0404","","","0.0963","0.1095","","","","","","1.046","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133976","7.1877","0.0005","9.2267","0.0006","11.815","0.0008","76.824","0.006","77.466","0.006","83.877","0.005","743.4","0.09","297.5","0.1","297.5","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0651","0.0462","","","0.1276","0.1465","","","","","","1.044","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133977","7.167","0.0004","9.2494","0.0006","11.888","0.001","76.621","0.006","77.687","0.006","83.786","0.005","747.6","0.09","300","","300","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0377","0.0368","","","0.0994","0.1004","","","","","","1.044","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133978","7.1618","0.0005","9.2536","0.0006","11.8972","0.0009","76.583","0.006","77.727","0.006","83.757","0.005","747.94","0.09","302.5","","302.5","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0389","0.0381","","","0.0989","0.0996","","","","","","1.079","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133979","7.1683","0.0005","9.2643","0.0006","11.916","0.0008","76.588","0.006","77.763","0.006","83.749","0.006","750.78","0.09","304","","304","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0415","0.0407","","","0.1135","0.1146","","","","","","1.07","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133980","7.0229","0.0001","8.8503","0.0002","12.7614","0.0002","90","","90","","90","","793.18","0.02","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bis(cyclopentadienyl)ruthenium(II)","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","1.54184","CuKα","","0.019","0.0189","","","0.0531","0.0533","","","","","","1.102","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133981","11.9001","0.0003","15.8666","0.0004","22.7472","0.0005","90","","102.9","0.007","90","","4186.6","0.2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","spiroCC","","","- C57 H40 Cl4 -","- C57 H40 Cl4 -","- C228 H160 Cl16 -","4","0.5","","Hamada, Hiroyoshi; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi","Axially Chiral Spiro-Conjugated Carbon-Bridged <i>p</i>-Phenylenevinylene Congeners: Synthetic Design and Materials Properties.","Journal of the American Chemical Society","2020","142","4","2059","2067","10.1021/jacs.9b13019","","","1.54187","CuKα","","0.0457","0.036","","","0.0867","0.0907","","","","","","1.04","","","","has coordinates","247529","2020-10-21","18:00:00",""
"4133982","22.8962","0.00004","22.8962","0.00004","22.8962","0.00004","90","","90","","90","","12003","0.04","293","","293","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Ga27 Rb8 Sb19 -","- Ga27 Rb8 Sb19 -","- Ga216 Rb64 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","powder diffraction","x-ray","0.41275","synchrotron","","0.0514","0.0426","","0.0508","0.0499","","","","1.32","","","","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133983","22.9497","0.0008","22.9497","0.0008","22.9497","0.0008","90","","90","","90","","12087.3","0.7","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 Ga27 Sb19 -","- Cs8 Ga27 Sb19 -","- Cs64 Ga216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.1654","0.0715","","","0.1194","0.149","","","","","","1.031","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133984","24.462","0.0008","24.462","0.0008","24.462","0.0008","90","","90","","90","","14637.8","0.8","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.0334","0.0241","","","0.0533","0.0588","","","","","","1.219","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133985","24.4593","0.0007","24.4593","0.0007","24.4593","0.0007","90","","90","","90","","14633","0.7","10","2","10","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.24797","synchrotron","","0.0134","0.0112","","","0.0331","0.0384","","","","","","1.193","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133986","8.8504","0.0009","15.0485","0.0013","15.7936","0.0014","90","","90","","90","","2103.5","0.3","100","2","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl N2 O4 -","- C22 H31 Cl N2 O4 -","- C88 H124 Cl4 N8 O16 -","4","1","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","0.71073","MoKα","","0.0817","0.0513","","","0.1132","0.1268","","","","","","1.038","","","","has coordinates","247122","2020-10-21","18:00:00",""
"4133987","12.423","0.0012","8.3502","0.0008","23.217","0.002","90","","91.701","0.005","90","","2407.3","0.4","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O6 -","- C24 H29 F3 N2 O6 -","- C96 H116 F12 N8 O24 -","4","2","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","1.54178","CuKα","","0.0316","0.031","","","0.0794","0.0799","","","","","","1.027","","","","has coordinates","247123","2020-10-21","18:00:00",""
"4133988","43.2323","0.0018","43.2323","0.0018","76.187","0.003","90","","90","","120","","123318","9","150","2","149.96","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C228 H206 B7 F28 N26 Pd12 S12 -","- C228 H206 B7 F28 N26 Pd12 S12 -","- C4104 H3708 B126 F504 N468 Pd216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0836","0.0629","","","0.1733","0.1941","","","","","","1.024","","","","has coordinates,has disorder","247124","2020-10-21","18:00:00",""
"4133989","43.39","0.002","43.39","0.002","75.917","0.004","90","","90","","120","","123780","10","153","2","153.38","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C224 H198 B6 F24 N24 Pt12 S12 -","- C224 H198 B6 F24 N24 Pt12 S12 -","- C4032 H3564 B108 F432 N432 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0705","0.0506","","","0.1325","0.1544","","","","","","1.058","","","","has coordinates,has disorder","247125","2020-10-21","18:00:00",""
"4133990","28.3945","0.0017","36.36","0.002","16.2541","0.001","90","","90","","90","","16781.1","1.7","174","2","174","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C136 H169 B4 F16 N15 O6 Pt6 S6 -","- C138 H169 B4 F16 N15 O6 Pt6 S6 -","- C552 H676 B16 F64 N60 O24 Pt24 S24 -","4","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0749","0.0494","","","0.1251","0.1443","","","","","","1.069","","","","has coordinates,has disorder","247126","2020-10-21","18:00:00",""
"4133991","15.8619","0.0018","23.109","0.003","23.149","0.003","112.829","0.003","103.394","0.003","101.148","0.004","7218.4","1.6","193","2","193.43","","","","","","","","","8","P -1","-P 1","2","","","","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","1","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.162","0.145","","","0.3419","0.3514","","","","","","1.082","","","","has coordinates,has disorder","247127","2020-10-21","18:00:00",""
"4133992","28.704","0.009","38.089","0.013","18.042","0.006","90","","90","","90","","19725","11","180","2","179.99","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","1","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0537","0.0399","","","0.0957","0.1018","","","","","","1.049","","","","has coordinates","247128","2020-10-21","18:00:00",""
"4133993","42.847","0.005","42.847","0.005","76.037","0.009","90","","90","","120","","120892","2","164","2","163.76","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C212 H188 B4 F16 N36 Pt12 S12 -","- C212 H188 B4 F16 N36 Pt12 S12 -","- C3816 H3384 B72 F288 N648 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0964","0.0597","","","0.1601","0.2032","","","","","","1.046","","","","has coordinates,has disorder","247129","2020-10-21","18:00:00",""
"4133994","18.852","0.003","31.236","0.004","25.397","0.004","90","","107.462","0.005","90","","14266","4","167","2","166.94","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C260 H320 B6 F24 N24 O12 Pd12 S12 -","- C260 H320 B6 F24 N24 O12 Pd12 S12 -","- C520 H640 B12 F48 N48 O24 Pd24 S24 -","2","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","1.54178","CuKα","","0.0726","0.0698","","","0.191","0.1933","","","","","","1.054","","","","has coordinates,has disorder","247130","2020-10-21","18:00:00",""
"4133995","16.609","0.0013","18.7796","0.0015","23.567","0.002","91.662","0.002","93.669","0.003","106.756","0.002","7015.6","1","185","2","185.01","","","","","","","","","8","P -1","-P 1","2","","","","- C126 H154 B4 F16 N14 O7 Pt6 S6 -","- C126 H154 B4 F16 N14 O7 Pt6 S6 -","- C252 H308 B8 F32 N28 O14 Pt12 S12 -","2","1","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0512","0.039","","","0.0819","0.0865","","","","","","1.049","","","","has coordinates,has disorder","247131","2020-10-21","18:00:00",""
"4133996","50.785","0.003","23.3504","0.0015","25.3445","0.0017","90","","99.525","0.002","90","","29640","3","153","2","153.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C236 H300 B7 F28 N28 O16 Pd12 S12 -","- C236 H300 B7 F28 N28 O16 Pd12 S12 -","- C944 H1200 B28 F112 N112 O64 Pd48 S48 -","4","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.1038","0.0859","","","0.2382","0.2576","","","","","","1.042","","","","has coordinates,has disorder","247132","2020-10-21","18:00:00",""
"4133997","42.816","0.0019","42.816","0.0019","76.435","0.003","90","","90","","120","","121349","9","150","2","150.01","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C436 H398 B12 F48 N77 Pd24 S24 -","- C436 H398 B12 F48 N77 Pd24 S24 -","- C3924 H3582 B108 F432 N693 Pd216 S216 -","9","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.1173","0.0733","","","0.2","0.2603","","","","","","1.055","","","","has coordinates,has disorder","247133","2020-10-21","18:00:00",""
"4133998","8.2839","0.0012","15.462","0.002","17.793","0.003","90","","90","","90","","2279","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C112 H116 N4 O8 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0328","0.0323","","","0.1126","0.1131","","","","","","0.934","","","","has coordinates","247134","2020-10-21","18:00:00",""
"4133999","9.6828","0.0004","11.6682","0.0005","16.747","0.0007","90","","90","","90","","1892.09","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0394","0.0379","","","0.1099","0.1124","","","","","","0.855","","","","has coordinates","247135","2020-10-21","18:00:00",""
"4134000","9.4573","0.0002","9.4573","0.0002","66.22","0.002","90","","90","","120","","5129.3","0.2","273","2","273","2","","","","","","","","4","P 65","P 65","170","","","","- C23 H19 N O -","- C23 H19 N O -","- C276 H228 N12 O12 -","12","2","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0344","0.0335","","","0.1044","0.1048","","","","","","0.983","","","","has coordinates,has disorder","247137","2020-10-21","18:00:00",""
"4134001","14.8465","0.0007","5.1669","0.0003","12.7295","0.0006","90","","94.446","0.003","90","","973.55","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","1","","Hsu, Tze-Gang; Zhou, Junfeng; Su, Hsin-Wei; Schrage, Briana R.; Ziegler, Christopher J.; Wang, Junpeng","A Polymer with ""Locked"" Degradability: Superior Backbone Stability and Accessible Degradability Enabled by Mechanophore Installation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12482","","","0.71073","MoKα","","0.0554","0.0427","","","0.0977","0.1038","","","","","","1.06","","","","has coordinates","247138","2020-10-21","18:00:00",""
"4134002","5.8422","0.0001","9.8585","0.0002","31.3192","0.0006","90","","90","","90","","1803.84","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O -","- C20 H24 Br N O -","- C80 H96 Br4 N4 O4 -","4","1","","Green, Jacob C.; Zanghi, Joseph M.; Meek, Simon J.","Diastereo- and Enantioselective Synthesis of Homoallylic Amines Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2020","142","4","1704","1709","10.1021/jacs.9b11529","","","1.54178","CuKα","","0.0209","0.0201","","0.047","0.0467","0.047","","","","","","1.0015","","","","has coordinates","247526","2020-10-21","18:00:00",""
"4134003","8.0743","0.0002","13.3745","0.0004","18.9008","0.0006","72.286","0.001","88.944","0.001","84.437","0.001","1935.03","0.1","100","2","100.11","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 F8 N2 O4 S2 -","- C15 H12 F8 N2 O4 S2 -","- C60 H48 F32 N8 O16 S8 -","4","2","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.0542","0.0387","","","0.0918","0.1023","","","","","","1.036","","","","has coordinates","247140","2020-10-21","18:00:00",""
"4134004","13.4071","0.0005","16.7792","0.0006","13.6377","0.0005","90","","95.202","0.002","90","","3055.31","0.19","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F8 N2 O4 S2 -","- C32 H22 F8 N2 O4 S2 -","- C128 H88 F32 N8 O16 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0801","0.0927","","","","","","1.043","","","","has coordinates","247141","2020-10-21","18:00:00",""
"4134005","11.6718","0.0005","13.9968","0.0007","17.3742","0.0009","90","","94.633","0.002","90","","2829.1","0.2","100","2","100.01","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C54 H45 F16 N2 O8 P2 S4 -","- C54 H45 F16 N2 O8 P2 S4 -","- C108 H90 F32 N4 O16 P4 S8 -","2","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","x-ray","0.71073","MoKα","","0.0643","0.0549","","","0.1436","0.1515","","","","","","1.045","","","","has coordinates,has disorder","247142","2020-10-21","18:00:00",""
"4134006","11.5732","0.0004","16.6147","0.0006","16.7556","0.0006","90","","96.946","0.001","90","","3198.2","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 F8 N O4 P S2 -","- C31 H28 F8 N O4 P S2 -","- C124 H112 F32 N4 O16 P4 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.0598","0.0393","","","0.0864","0.1013","","","","","","1.071","","","","has coordinates,has disorder","247143","2020-10-21","18:00:00",""
"4134007","11.89","0.0005","16.2559","0.0007","20.0266","0.0008","90","","92.643","0.002","90","","3866.7","0.3","100","2","99.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl2 F8 N2 O4 S2 -","- C40 H30 Cl2 F8 N2 O4 S2 -","- C160 H120 Cl8 F32 N8 O16 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.1255","0.0549","","","0.1226","0.1741","","","","","","1.096","","","","has coordinates,has disorder","247144","2020-10-21","18:00:00",""
"4134008","11.7287","0.0006","11.3446","0.0006","12.7178","0.0007","90","","97.519","0.003","90","","1677.65","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0738","0.0454","","","0.0973","0.109","","","","","","1.015","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134009","12.5418","0.0007","14.2968","0.0008","10.9243","0.0006","90","","98.314","0.004","90","","1938.22","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F3 N2 O2 -","- C24 H19 F3 N2 O2 -","- C96 H76 F12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0694","0.0427","","","0.0926","0.1041","","","","","","1.024","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134010","10.1059","0.0002","14.1498","0.0003","14.8124","0.0003","64.5952","0.0011","86.5106","0.0011","71.9003","0.0012","1812.14","0.07","200","2","200.01","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","2","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0655","0.0414","","","0.101","0.1132","","","","","","1.018","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134011","6.2016","0.0003","22.6245","0.0017","13.4647","0.0007","90","","98.531","0.003","90","","1868.3","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.104","0.0625","","","0.1475","0.1665","","","","","","1.053","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134012","7.422","0.0003","27.9118","0.0009","10.1865","0.0003","90","","110.241","0.002","90","","1979.93","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl3 N2 O2 -","- C20 H19 Cl3 N2 O2 -","- C80 H76 Cl12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0563","0.0397","","","0.0856","0.0929","","","","","","1.033","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134013","5.9996","0.0001","11.7006","0.0002","25.9222","0.0005","90","","95.015","0.002","90","","1812.74","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0731","0.0465","","","0.1036","0.1172","","","","","","1.01","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134014","10.2646","0.0004","10.6815","0.0004","18.9544","0.0006","90","","101.145","0.002","90","","2038.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0665","0.0466","","","0.0998","0.1104","","","","","","1.014","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134015","17.5563","0.0012","19.7585","0.0014","20.6328","0.0014","90","","111.704","0.002","90","","6649.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Mesdmx)Cu2(NCMe)2","","- C79 H83 Cu2 N7 O2 -","- C79 H83 Cu2 N7 O2 -","- C316 H332 Cu8 N28 O8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0723","0.0467","","","0.0993","0.1105","","","","","","1.075","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134016","12.304","0.003","16.241","0.004","18.007","0.005","92.531","0.004","92.075","0.005","92.793","0.005","3587.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Mesdmx)Cu2(NC6H4OMe)","","- C84 H91 Cu2 N5 O4 -","- C84 H91 Cu2 N5 O4 -","- C168 H182 Cu4 N10 O8 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1282","0.0679","","","0.1607","0.1948","","","","","","1.001","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134017","23.7718","0.0017","21.0479","0.0014","17.5589","0.0012","90","","113.565","0.001","90","","8052.9","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Mesdmx)Cu2(3,5-CF3C6H3)","","- C77 H67 Cu2 F6 N5 O -","- C77 H67 Cu2 F6 N5 O -","- C308 H268 Cu8 F24 N20 O4 -","4","0.5","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.41328","synchrotron","","0.0536","0.0393","","","0.0971","0.1034","","","","","","1.05","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134018","21.9597","0.0005","22.7867","0.0005","21.3984","0.0005","90","","92.534","0.002","90","","10697.1","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(tBudmx)Cu2(NC6H4OMe)","","- C59.75 H70.62 Cu2 N5.88 O2.5 -","- C59.75 H70.625 Cu2 N5.875 O2.5 -","- C478 H565 Cu16 N47 O20 -","8","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1462","0.0988","","","0.2228","0.256","","","","","","1.147","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134019","18.958","0.002","13.0693","0.0016","43.638","0.005","90","","90","","90","","10812","2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(tBudmx)Cu2(3,5-CF2C6H3)","","- C59 H62 Cu2 F6 N6 O -","- C59 H62 Cu2 F6 N6 O -","- C472 H496 Cu16 F48 N48 O8 -","8","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0865","0.0538","","","0.1135","0.1329","","","","","","1.038","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134020","17.7584","0.0002","26.265","0.0003","24.6763","0.0003","90","","105.261","0.0012","90","","11103.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[K(222C)][(Mesdmx)Cu2(NC6H4OMe)]","","- C94 H107 Cu2 K N7 O8 -","- C94 H107 Cu2 K N7 O8 -","- C376 H428 Cu8 K4 N28 O32 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","1.54184","CuKα","","0.0802","0.0639","","","0.1715","0.1836","","","","","","1.02","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134021","17.164","0.003","18.401","0.003","27.309","0.004","90","","104.668","0.004","90","","8344","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(222C)][(tBudmx)Cu2(NC6H4OMe)]","","- C81 H116.5 Cu2 K N7 O9.75 -","- C81 H116.5 Cu2 K N7 O9.75 -","- C324 H466 Cu8 K4 N28 O39 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0504","0.037","","","0.0969","0.1035","","","","","","1.043","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134022","13.347","0.002","41.261","0.006","13.763","0.002","90","","97.39","0.003","90","","7516.5","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[K(222C)][(tBudmx)Cu2N(3,5-CF3C6H3)]","","- C75 H95 Cu2 F6 K N7 O7 -","- C75 H95 Cu2 F6 K N7 O7 -","- C300 H380 Cu8 F24 K4 N28 O28 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0561","0.0402","","","0.0866","0.0932","","","","","","1.012","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134023","36.448","0.004","11.0154","0.0011","13.4471","0.0012","90","","105.928","0.003","90","","5191.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","LCuNCMe","","- C26 H29.5 Cl2 Cu N3.5 -","- C26 H29.5 Cl2 Cu N3.5 -","- C208 H236 Cl16 Cu8 N28 -","8","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1199","0.0691","","","0.1072","0.1194","","","","","","1.117","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134024","13.1817","0.0013","10.7516","0.0019","19.191","0.003","90","","95.4","0.008","90","","2707.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LCuCl_dimer","","- C29 H31 Cl3 Cu N2 -","- C29 H31 Cl3 Cu N2 -","- C116 H124 Cl12 Cu4 N8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0769","0.0528","","","0.1184","0.131","","","","","","1.034","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134025","11.0169","0.0006","15.6053","0.0007","21.432","0.0011","80.283","0.004","89.945","0.004","74.102","0.004","3488.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Mesdmx)Cu2(PMe3)2","","- C79 H90 Cu2 N4 O2 P2 -","- C79 H90 Cu2 N4 O2 P2 -","- C158 H180 Cu4 N8 O4 P4 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1198","0.0554","","","0.0914","0.1085","","","","","","1.007","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134026","57.196","0.011","25.306","0.004","26.078","0.003","90","","117.092","0.007","90","","33604","9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(tBudmx)Cu2(PPh3)2","","- C96.88 H99.25 Cu2 N4 O P2 -","- C96.875 H99.25 Cu2 N4 O P2 -","- C1550 H1588 Cu32 N64 O16 P32 -","16","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1338","0.0744","","","0.1635","0.1931","","","","","","1.052","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134027","12.031","0.005","14.049","0.006","24.368","0.011","99.925","0.007","99.557","0.008","105.278","0.007","3816","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Mesdmx)Cu2(CNtBu)","","- C85 H93.5 Cu2 N6 O2.5 -","- C85 H93.5 Cu2 N6 O2.5 -","- C170 H187 Cu4 N12 O5 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0927","0.0621","","","0.1718","0.1921","","","","","","1.021","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134028","16.3247","0.0007","18.2917","0.0008","20.5023","0.0009","90","","106.3","0.001","90","","5876","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(tBudmx)Cu2(CNtBu)2","","- C63 H82 Cu2 N6 O2 -","- C63 H82 Cu2 N6 O2 -","- C252 H328 Cu8 N24 O8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0628","0.0342","","","0.0658","0.0716","","","","","","0.911","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134029","13.3375","0.0005","25.1228","0.0007","25.4322","0.0007","90","","100.624","0.003","90","","8375.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Mesdmx)Cu2(dmap)","","- C95 H110.5 Cu2 N8 O4 -","- C95 H110.5 Cu2 N8 O4 -","- C380 H442 Cu8 N32 O16 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1323","0.0734","","","0.1786","0.2128","","","","","","1.03","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134030","11.189","0.009","17.657","0.012","22.207","0.015","90","","95.88","0.02","90","","4364","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LCu_dimer","","- C46 H50 Cl4 Cu2 N4 -","- C46 H50 Cl4 Cu2 N4 -","- C184 H200 Cl16 Cu8 N16 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0522","0.0354","","","0.0828","0.0921","","","","","","1.027","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134031","7.8897","0.0001","9.1212","0.0001","14.9717","0.0002","96.048","0.001","101.313","0.001","106.5","0.001","998","0.02","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F N2 O -","- C26 H23 F N2 O -","- C52 H46 F2 N4 O2 -","2","1","","Oderinde, Martins S.; Mao, Edna; Ramirez, Antonio; Pawluczyk, Joseph; Jorge, Christine; Cornelius, Lyndon A. M.; Kempson, James; Vetrichelvan, Muthalagu; Pitchai, Manivel; Gupta, Anuradha; Gupta, Arun Kumar; Meanwell, Nicholas A.; Mathur, Arvind; Dhar, T. G. Murali","Synthesis of Cyclobutane-Fused Tetracyclic Scaffolds via Visible-Light Photocatalysis for Building Molecular Complexity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12129","","x-ray","1.54178","CuKα","","0.0393","0.036","","","0.0941","0.0973","","","","","","1.046","","","","has coordinates","247153","2020-10-21","18:00:00",""
"4134032","15.0482","0.0006","17.691","0.0007","20.2396","0.0008","72.719","0.002","68.916","0.002","65.729","0.002","4512","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Dy3 N12 O59 P14 -","- C50 H71 Dy3 N12 O59 P14 -","- C100 H142 Dy6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.1277","0.0671","","","0.1242","0.142","","","","","","0.977","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134033","15.0427","0.0003","17.6771","0.0004","20.2137","0.0005","72.46","0.002","68.689","0.002","65.73","0.001","4491.25","0.19","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Dy3 N12 O59 P14 -","- C50 H71 Dy3 N12 O59 P14 -","- C100 H142 Dy6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0998","0.059","","","0.1376","0.165","","","","","","1.03","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134034","15.0885","0.0011","17.6798","0.0011","20.2814","0.0012","73.138","0.005","69.411","0.006","65.445","0.007","4540.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Gd3 N12 O59 P14 -","- C50 H71 Gd3 N12 O59 P14 -","- C100 H142 Gd6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0724","0.0456","","","0.1177","0.1279","","","","","","1.021","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134035","14.9876","0.0011","17.6742","0.0012","20.2589","0.0014","73.084","0.006","69.492","0.007","65.735","0.007","4513.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 N12 O59 P14 Y3 -","- C50 H71 N12 O59 P14 Y3 -","- C100 H142 N24 O118 P28 Y6 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.1609","0.0735","","","0.1373","0.1631","","","","","","0.997","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134036","22.7019","0.0015","23.2501","0.0016","13.5359","0.0008","90","","118.419","0.005","90","","6283.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H70 N12 O35 P8 -","- C44 H56 N12 O35 P8 -","- C176 H224 N48 O140 P32 -","4","0.5","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0816","0.0555","","","0.1524","0.1662","","","","","","1.019","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134037","16.4338","0.0003","15.0133","0.0003","37.4909","0.0007","90","","96.4048","0.0017","90","","9192.2","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H121 F3 N6 O12 -","- C99 H121 F3 N6 O12 -","- C396 H484 F12 N24 O48 -","4","1","","Morimoto, Jumpei; Kim, Jungyeon; Kuroda, Daisuke; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke","Per-Residue Program of Multiple Backbone Dihedral Angles of β-Peptoids via Backbone Substitutions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10496","","","0.71073","MoKα","","0.0798","0.0604","","","0.1635","0.1765","","","","","","1.021","","","","has coordinates,has disorder","247155","2020-10-21","18:00:00",""
"4134038","10.623","0.004","5.831","0.002","21.553","0.008","90","","98.576","0.012","90","","1320.1","0.8","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 F3 N O2 -","- C13 H16 F3 N O2 -","- C52 H64 F12 N4 O8 -","4","1","","Schwarz, Jonas Luca; Kleinmans, Roman; Paulisch, Tiffany; Glorius, Frank","1,2-Amino Alcohols via Cr/Photoredox Dual Catalyzed Addition of α-Amino Carbanion Equivalents to Carbonyls.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12053","","","0.71073","MoKα","","0.1328","0.0886","","","0.2117","0.2364","","","","","","1.083","","","","has coordinates,has disorder","247225","2020-10-21","18:00:00",""
"4134039","18.5691","0.0013","19.7813","0.0014","34.092","0.002","87.692","0.004","85.637","0.004","68.07","0.004","11582","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C105.25 H152 Cl0.5 N7 O10.25 P2 -","- C105.25 H152 Cl0.5 N7 O10.25 P2 -","- C421 H608 Cl2 N28 O41 P8 -","4","2","","Zhao, Wei; Tropp, Joshua; Qiao, Bo; Pink, Maren; Azoulay, Jason D.; Flood, Amar H.","Tunable Adhesion from Stoichiometry-controlled and Sequence-defined Supramolecular Polymers Emerges Hierarchically from Cyanostar-stabilized Anion-anion Linkages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12645","","","0.71073","MoKα","","0.2372","0.1466","","","0.3744","0.4053","","","","","","2.074","","","","has coordinates,has disorder","247226","2020-10-21","18:00:00",""
"4134040","6.3624","0.0003","10.6132","0.0004","25.6176","0.0011","90","","90","","90","","1729.84","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 F3 N O -","- C18 H26 F3 N O -","- C72 H104 F12 N4 O4 -","4","1","","Yao, Chengbo; Wang, Shuai; Norton, Jack R.; Hammond, Matthew","Catalyzing the Hydrodefluorination of CF3-substituted Alkenes by PhSiH3. H• Transfer from a Nickel Hydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13757","","","0.71073","MoKα","","0.0541","0.0414","","","0.0981","0.1069","","","","","","1.029","","","","has coordinates","247227","2020-10-21","18:00:00",""
"4134041","9.6023","0.0004","9.8505","0.0004","21.0495","0.0008","87.9879","0.0015","82.7837","0.0015","88.3199","0.0014","1973.41","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 Mo O2 Sn -","- C43 H54 Mo O2 Sn -","- C86 H108 Mo2 O4 Sn2 -","2","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","1.54178","CuKα","","0.0568","0.0542","","","0.1236","0.1256","","","","","","1.066","","","","has coordinates,has disorder","247244","2020-10-21","18:00:00",""
"4134042","11.3692","0.0009","16.3298","0.0012","18.411","0.0014","90","","102.462","0.001","90","","3337.6","0.4","90","2","90.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Ge Mo O2 -","- C37 H42 Ge Mo O2 -","- C148 H168 Ge4 Mo4 O8 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0314","0.0243","","","0.0576","0.0604","","","","","","1.024","","","","has coordinates","247245","2020-10-21","18:00:00",""
"4134043","13.3557","0.0004","10.6317","0.0003","28.1313","0.0008","90","","94.2515","0.0011","90","","3983.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Mo O2 Pb -","- C43 H54 Mo O2 Pb -","- C172 H216 Mo4 O8 Pb4 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0378","0.0269","","","0.0512","0.0549","","","","","","1.033","","","","has coordinates,has disorder","247246","2020-10-21","18:00:00",""
"4134044","8.5886","0.0007","17.4666","0.0014","22.6926","0.0019","90","","97.277","0.001","90","","3376.8","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Mo O3 Sn -","- C38 H42 Mo O3 Sn -","- C152 H168 Mo4 O12 Sn4 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0312","0.0221","","","0.0443","0.0473","","","","","","1.027","","","","has coordinates","247247","2020-10-21","18:00:00",""
"4134047","10.7525","0.0003","13.2311","0.0004","15.5424","0.0004","105.225","0.001","105.903","0.001","108.352","0.001","1865.15","0.09","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H48 O8 -","- C43 H48 O8 -","- C86 H96 O16 -","2","1","","Zhou, Jiong; Yu, Guocan; Li, Qing; Wang, Mengbin; Huang, Feihe","Separation of Benzene and Cyclohexane by Nonporous Adaptive Crystals of Hybrid[3]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13548","","","0.71073","MoKα","","0.0503","0.0426","","","0.1118","0.1186","","","","","","1.013","","","","has coordinates","247266","2020-10-21","18:00:00",""
"4134048","16.871","0.003","16.871","0.003","14.955","0.002","90","","90","","120","","3686.4","1","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2.06 N6 O13 Ti0.94 -","- C42 H24 Co2.07 N6 O13 Ti0.93 -","- C84 H48 Co4.14 N12 O26 Ti1.86 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0427","0.0338","","","0.1439","0.1493","","","","","","1.17","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134049","16.89","0.02","16.89","0.02","14.94","0.02","90","","90","","120","","3691","8","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2 N6 O13 V -","- C42 H24 Co2.0001 N6 O13 V0.9999 -","- C84 H48 Co4.0002 N12 O26 V1.9998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0634","0.0443","","","0.1094","0.114","","","","","","1.042","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134050","17.234","0.004","17.234","0.004","14.537","0.003","90","","90","","120","","3739.2","1.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C45 H27 Mg2.25 N3 O13 Ti0.75 -","- C45 H27 Mg2.244 N3 O13 Ti0.756 -","- C90 H54 Mg4.488 N6 O26 Ti1.512 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0571","0.0405","","","0.1509","0.1602","","","","","","1.062","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134051","17.2","0.03","17.2","0.03","14.75","0.03","90","","90","","120","","3779","12","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C44 H26 Mg2.16 N4 O13 Ti0.84 -","- C44.0001 H26.0001 Mg2.178 N3.9999 O13 Ti0.822 -","- C88.0002 H52.0002 Mg4.356 N7.9998 O26 Ti1.644 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0542","0.0397","","","0.1173","0.1267","","","","","","1.083","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134052","17.014","0.012","17.014","0.012","14.838","0.01","90","","90","","120","","3720","4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2.22 N6 O13 Ti0.78 -","- C42 H24 Mg2.196 N6 O13 Ti0.804 -","- C84 H48 Mg4.392 N12 O26 Ti1.608 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0425","0.0338","","","0.1301","0.1354","","","","","","0.997","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134053","16.985","0.015","16.985","0.015","14.669","0.013","90","","90","","120","","3665","6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2 N6 O13 V -","- C42 H24 Mg2.001 N6 O13 V0.999 -","- C84 H48 Mg4.002 N12 O26 V1.998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.05","0.0381","","","0.1284","0.1321","","","","","","1.164","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134054","16.79","0.04","16.79","0.04","14.84","0.04","90","","90","","120","","3623","16","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C48 H30 Mg1.92 N6 O13 V1.08 -","- C48 H30 Mg1.893 N6 O13 V1.107 -","- C96 H60 Mg3.786 N12 O26 V2.214 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0991","0.0675","","","0.1759","0.1904","","","","","","1.187","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134055","10.8613","0.0018","13.099","0.002","21.74","0.004","90","","99.381","0.003","90","","3051.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((5'-(tert-butyl)-4,4""-dimethoxy-[1,1':3',1""-terphenyl]-4'-yl)amino)naphthalene-1,4-dione","","- C35 H32 Cl3 N O4 -","- C35 H32 Cl3 N O4 -","- C140 H128 Cl12 N4 O16 -","4","1","","Vaidya, Sagar Dilip; Toenjes, Sean T.; Yamamoto, Nobuyuki; Maddox, Sean M.; Gustafson, Jeffrey L.","Catalytic Atroposelective Synthesis of N-Aryl Quinoid Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12994","","","0.71073","MoKα","","0.0306","0.0291","","","0.0784","0.0798","","","","","","1.024","","","","has coordinates","247289","2020-10-21","18:00:00",""
"4134056","8.9865","0.0004","13.2091","0.0006","11.2053","0.0005","90","","103.279","0.0019","90","","1294.55","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H24 Br F2 N O2 -","- C32 H24 Br F2 N O2 -","- C64 H48 Br2 F4 N2 O4 -","2","1","","Vaidya, Sagar Dilip; Toenjes, Sean T.; Yamamoto, Nobuyuki; Maddox, Sean M.; Gustafson, Jeffrey L.","Catalytic Atroposelective Synthesis of N-Aryl Quinoid Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12994","","","0.71073","MoKα","","0.0173","0.0168","","","0.0465","0.0467","","","","","","1.061","","","","has coordinates","247290","2020-10-21","18:00:00",""
"4134057","7.41462","0.00009","10.40955","0.00011","20.8084","0.0002","90","","90","","90","","1606.05","0.03","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0272","0.0272","","","0.0781","0.0782","","","","","","1.094","","","","has coordinates","247291","2020-10-21","18:00:00",""
"4134058","7.90611","0.00007","11.94278","0.0001","20.962","0.0002","90","","90","","90","","1979.25","0.03","139.99","0.1","139.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0294","0.029","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates","247292","2020-10-21","18:00:00",""
"4134059","9.6294","0.00004","16.20428","0.00008","16.44875","0.00009","90","","90","","90","","2566.62","0.02","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N6 O2 -","- C30 H26 N6 O2 -","- C120 H104 N24 O8 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0658","0.0659","","","","","","1.038","","","","has coordinates","247293","2020-10-21","18:00:00",""
"4134060","19.081","0.0003","8.25102","0.00013","19.9954","0.0003","90","","98.3391","0.0015","90","","3114.75","0.08","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C136 H152 N24 O8 -","8","4","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0405","0.0362","","","0.0961","0.0998","","","","","","1.016","","","","has coordinates,has disorder","247294","2020-10-21","18:00:00",""
"4134061","11.1841","0.0005","11.6216","0.0006","11.9725","0.0004","115.042","0.004","97.311","0.004","99.56","0.004","1355.87","0.12","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H88 N5 O2 Si8 U2 -","- C32 H88 N5 O2 Si8 U2 -","- C32 H88 N5 O2 Si8 U2 -","1","0.5","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0417","0.0351","","","0.0797","0.0828","","","","","","1.045","","","","has coordinates,has disorder","247295","2020-10-21","18:00:00",""
"4134062","12.4354","0.0002","14.5903","0.0003","21.2165","0.0005","84.8203","0.0018","81.3108","0.0017","68.8597","0.0018","3546.49","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C56 H108 B N5 O2 Si8 U2 -","- C56 H108 B N5 O2 Si8 U2 -","- C112 H216 B2 N10 O4 Si16 U4 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.0493","0.0314","","","0.0499","0.0545","","","","","","1.024","","","","has coordinates","247296","2020-10-21","18:00:00",""
"4134063","12.0237","0.0003","26.7386","0.0006","16.445","0.0004","90","","108.891","0.003","90","","5002.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H79 N5 O Si8 U2 -","- C28 H79 N5 O Si8 U2 -","- C112 H316 N20 O4 Si32 U8 -","4","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.0908","0.0901","","","0.2343","0.235","","","","","","1.131","","","","has coordinates","247297","2020-10-21","18:00:00",""
"4134064","10.4218","0.0016","12.6637","0.0019","21.703","0.003","84.395","0.013","76.525","0.013","77.75","0.013","2718.6","0.7","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H90 N5 O2 Si8 U2 -","- C32 H90 N5 O2 Si8 U2 -","- C64 H180 N10 O4 Si16 U4 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.1816","0.0824","","","0.1817","0.2128","","","","","","0.804","","","","has coordinates","247298","2020-10-21","18:00:00",""
"4134065","12.3775","0.0004","15.2039","0.0004","32.5115","0.001","92.605","0.002","92.492","0.003","109.741","0.003","5741.4","0.3","140.2","0.6","140.2","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C72 H171 N10 O2 Si16 U4 -","- C72 H171 N10 O2 Si16 U4 -","- C144 H342 N20 O4 Si32 U8 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.1106","0.0667","","","0.1478","0.1739","","","","","","1.009","","","","has coordinates","247299","2020-10-21","18:00:00",""
"4134066","18.1022","0.0005","13.8129","0.0005","26.1373","0.0007","90","","103.954","0.003","90","","6342.6","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 N4 O Si6 U2 -","- C46 H78 N4 O Si6 U2 -","- C184 H312 N16 O4 Si24 U8 -","4","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.1143","0.0429","","","0.077","0.086","","","","","","0.82","","","","has coordinates","247300","2020-10-21","18:00:00",""
"4134067","20.4459","0.0004","20.6717","0.0004","20.7789","0.0004","85.1695","0.0017","76.7807","0.0018","68.9745","0.0019","7980.3","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C87 H242 N15 O2 Si24 U6 -","- C87 H242 N15 O2 Si24 U6 -","- C174 H484 N30 O4 Si48 U12 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0479","0.0383","","","0.0913","0.0967","","","","","","1.017","","","","has coordinates,has disorder","247301","2020-10-21","18:00:00",""
"4134068","10.9866","0.0005","12.0174","0.0005","12.0565","0.0007","119.636","0.006","90.69","0.004","102.546","0.004","1337.1","0.15","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H88 N5 O2 Si8 U2 -","- C32 H88.156 N5.078 O2 Si8 U2 -","- C32 H88.156 N5.078 O2 Si8 U2 -","1","0.5","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0543","0.0522","","","0.1383","0.1411","","","","","","1.031","","","","has coordinates,has disorder","247302","2020-10-21","18:00:00",""
"4134069","16.3376","0.0007","16.4904","0.0008","25.6818","0.001","71.615","0.004","78.674","0.004","60.468","0.005","5705.8","0.5","100","0.11","100","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C90 H135 Au23 -","- C90 H135 Au23 -","- C180 H270 Au46 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Wen, Zhao-Rui; Lin, Yu-Mei; Wang, Quan-Ming","Isomerization in Alkynyl-Protected Gold Nanoclusters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11836","","","0.71073","MoKα","","0.0815","0.0608","","","0.1358","0.1489","","","","","","1.038","","","","has coordinates,has disorder","247303","2020-10-21","18:00:00",""
"4134070","17.3791","0.0005","19.0145","0.0006","19.144","0.0006","78.085","0.003","72.959","0.003","86.481","0.003","5918.2","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H135 Au23 -","- C90 H135 Au23 -","- C180 H270 Au46 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Wen, Zhao-Rui; Lin, Yu-Mei; Wang, Quan-Ming","Isomerization in Alkynyl-Protected Gold Nanoclusters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11836","","","0.71073","MoKα","","0.0988","0.0701","","","0.152","0.1715","","","","","","1.049","","","","has coordinates,has disorder","247304","2020-10-21","18:00:00",""
"4134071","13.7297","0.0009","8.6471","0.0005","11.9568","0.0015","90","","90","","90","","1419.5","0.2","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.0834","0.0631","","","0.1792","0.1936","","","","","","0.976","","","","has coordinates","247305","2020-10-21","18:00:00",""
"4134072","13.902","0.002","8.7619","0.0014","11.972","0.0014","90","","90","","90","","1458.3","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe Ga -","- C10 H10 Cl4 Fe Ga -","- C40 H40 Cl16 Fe4 Ga4 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1431","0.0578","","","0.1213","0.1474","","","","","","1.012","","","","has coordinates","247306","2020-10-21","18:00:00",""
"4134073","13.8181","0.0013","8.7371","0.0009","11.9538","0.0018","90","","90","","90","","1443.2","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1119","0.0882","","","0.2354","0.2507","","","","","","1.083","","","","has coordinates","247307","2020-10-21","18:00:00",""
"4134074","7.0073","0.0003","11.0777","0.0004","12.3625","0.0006","114.095","0.004","94.197","0.004","97.996","0.003","858.49","0.07","179.99","0.1","179.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0638","0.052","","","0.1451","0.1529","","","","","","1.047","","","","has coordinates","247308","2020-10-21","18:00:00",""
"4134075","8.8797","0.0003","11.8527","0.0004","14.9997","0.0005","90","","90","","90","","1578.69","0.09","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0392","0.0352","","","0.0939","0.096","","","","","","1.033","","","","has coordinates","247309","2020-10-21","18:00:00",""
"4134076","12.2894","0.0002","8.5781","0.0001","16.1793","0.0002","90","","90","","90","","1705.62","0.04","180","0.12","180","0.12","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0328","0.0321","","","0.0866","0.0873","","","","","","1.057","","","","has coordinates","247310","2020-10-21","18:00:00",""
"4134077","7.9564","0.0004","8.9245","0.0005","23.0248","0.001","90","","96.003","0.004","90","","1625.95","0.14","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0722","0.0546","","","0.1388","0.1497","","","","","","1.002","","","","has coordinates","247311","2020-10-21","18:00:00",""
"4134078","20.5218","0.0004","11.9368","0.0002","13.426","0.0002","90","","93.652","0.002","90","","3282.22","0.1","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C160 H208 O16 -","8","2","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0647","0.0556","","","0.1521","0.1594","","","","","","1.045","","","","has coordinates","247312","2020-10-21","18:00:00",""
"4134079","6.5447","0.0002","11.3048","0.0004","12.0755","0.0003","103.67","0.002","90.651","0.002","94.336","0.003","865.24","0.05","179.99","0.14","179.99","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0415","0.0374","","","0.1017","0.1046","","","","","","1.084","","","","has coordinates","247313","2020-10-21","18:00:00",""
"4134080","20.4927","0.0005","13.2198","0.0003","12.8593","0.0003","90","","102.596","0.002","90","","3399.86","0.14","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0687","0.0485","","","0.1279","0.1381","","","","","","1.058","","","","has coordinates","247314","2020-10-21","18:00:00",""
"4134081","11.9584","0.0002","26.4385","0.0007","31.6565","0.001","90","","90","","90","","10008.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C480 H672 O48 -","24","3","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0949","0.0635","","","0.1504","0.1789","","","","","","1.028","","","","has coordinates","247315","2020-10-21","18:00:00",""
"4134082","20.9667","0.0003","20.9667","0.0003","7.7032","0.0003","90","","90","","90","","3386.35","0.15","179.99","0.1","179.99","0.1","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C20 H30 O -","- C20 H30 O -","- C160 H240 O8 -","8","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0736","0.0516","","","0.1133","0.122","","","","","","1.066","","","","has coordinates","247316","2020-10-21","18:00:00",""
"4134083","10.9261","0.0006","17.1581","0.0009","37.691","0.002","90","","90","","90","","7066","0.7","200","2","199.99","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Ba F6 N3 O12 S2 -","- C27 H33 Ba F6 N3 O12 S2 -","- C216 H264 Ba8 F48 N24 O96 S16 -","8","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0408","0.037","","","0.098","0.1008","","","","","","1.032","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134084","11.8509","0.0003","12.0635","0.0004","17.8749","0.0005","90","","90","","90","","2555.46","0.13","200","2","199.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N3 O8 U -","- C25 H31 N3 O8 U -","- C100 H124 N12 O32 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0322","0.0298","","","0.07","0.0711","","","","","","1.043","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134085","12.9299","0.0006","13.2222","0.0006","18.4887","0.0009","90","","90","","90","","3160.9","0.3","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 K N3 O11 S U -","- C26 H31 F3 K N3 O11 S U -","- C104 H124 F12 K4 N12 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.04","0.0357","","","0.0953","0.099","","","","","","1.088","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134086","12.9352","0.0002","13.2651","0.0002","18.4739","0.0003","90","","90","","90","","3169.88","0.09","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 N3 Na O11 S U -","- C26 H31 F3 N3 Na O11 S U -","- C104 H124 F12 N12 Na4 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0296","0.0272","","","0.0643","0.0658","","","","","","1.095","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134087","12.7589","0.0009","13.2831","0.0009","13.7644","0.001","79.402","0.003","64.575","0.003","81.805","0.003","2065.6","0.3","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C29.5 H42 Ca F6 N3 O17 S2 U -","- C29.5 H42 Ca F6 N3 O17 S2 U -","- C59 H84 Ca2 F12 N6 O34 S4 U2 -","2","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0403","0.037","","","0.085","0.0866","","","","","","1.093","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134088","9.1814","0.0006","13.6032","0.0008","18.8769","0.0012","102.095","0.005","102.738","0.006","103.991","0.005","2143.6","0.3","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H34 F9 N4 O17 S3 U Y -","- C30 H34 F9 N4 O17 S3 U Y -","- C60 H68 F18 N8 O34 S6 U2 Y2 -","2","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0669","0.0498","","","0.1223","0.1326","","","","","","1.067","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134089","7.3867","0.0015","12.145","0.002","15.767","0.003","87.77","0.03","85","0.03","86.84","0.03","1406.1","0.5","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C22.5 H32 Cl3 F3 N2 O3 Pd S -","- C22.5 H32 Cl3 F3 N2 O3 Pd S -","- C45 H64 Cl6 F6 N4 O6 Pd2 S2 -","2","1","","Wang, Yaning; Chai, Junli; You, Chang; Zhang, Jie; Mi, Xueling; Zhang, Long; Luo, Sanzhong","π-Coordinating Chiral Primary Amine/Palladium Synergistic Catalysis for Asymmetric Allylic Alkylation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13026","","","0.71073","MoKα","","0.0618","0.0595","","","0.1327","0.1353","","","","","","1.162","","","","has coordinates,has disorder","247383","2020-10-21","18:00:00",""
"4134090","9.365","0.003","11.859","0.003","13.177","0.003","106.417","0.014","110.789","0.012","93.976","0.015","1288.7","0.6","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45.17 H60 Cl2 F6 N4 O6 Pd2 S2 -","- C45.084 H60 Cl2 F6 N4 O6 Pd2 S2 -","- C45.084 H60 Cl2 F6 N4 O6 Pd2 S2 -","1","0.5","","Wang, Yaning; Chai, Junli; You, Chang; Zhang, Jie; Mi, Xueling; Zhang, Long; Luo, Sanzhong","π-Coordinating Chiral Primary Amine/Palladium Synergistic Catalysis for Asymmetric Allylic Alkylation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13026","","","0.71073","MoKα","","0.0789","0.0748","","","0.1684","0.1709","","","","","","1.191","","","","has coordinates,has disorder","247384","2020-10-21","18:00:00",""
"4134091","20.6736","0.0004","15.6007","0.0004","36.5467","0.0006","90","","106.33","0.002","90","","11311.6","0.4","172.98","0.1","172.98","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 F3 O4 P2 S Se2 -","- C52 H42 F3 O4 P2 S Se2 -","- C416 H336 F24 O32 P16 S8 Se16 -","8","2","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54178","CuKα","","0.1081","0.0859","","","0.2335","0.2578","","","","","","1.086","","","","has coordinates,has disorder","247385","2020-10-21","18:00:00",""
"4134092","12.1051","0.0001","11.7634","0.0002","15.6847","0.0002","90","","93.563","0.001","90","","2229.14","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F4 P Se -","- C24 H20 B F4 P Se -","- C96 H80 B4 F16 P4 Se4 -","4","1","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54184","CuKα","","0.0552","0.0441","","","0.1108","0.1211","","","","","","1.082","","","","has coordinates","247386","2020-10-21","18:00:00",""
"4134093","12.0332","0.0002","11.753","0.0002","16.0509","0.0002","90","","93.988","0.001","90","","2264.52","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F4 P S -","- C24 H20 B F4 P S -","- C96 H80 B4 F16 P4 S4 -","4","1","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54184","CuKα","","0.0927","0.0818","","","0.2041","0.2139","","","","","","1.067","","","","has coordinates,has disorder","247387","2020-10-21","18:00:00",""
"4134094","13.1005","0.0004","9.2621","0.0002","24.6121","0.0006","90","","91.1697","0.0013","90","","2985.76","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0416","0.04","","","0.106","0.1075","","","","","","1.024","","","","has coordinates,has disorder","247413","2020-10-21","18:00:00",""
"4134095","13.1044","0.0004","9.2541","0.0003","24.6027","0.0007","90","","91.239","0.0014","90","","2982.86","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0433","0.0396","","","0.1008","0.1027","","","","","","1.018","","","","has coordinates,has disorder","247414","2020-10-21","18:00:00",""
"4134096","9.4985","0.0003","15.8907","0.0005","16.0857","0.0005","101.396","0.0017","97.1969","0.0019","92.7279","0.0016","2354.78","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C87 H126 F18 N6 O12 -","3","3","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.1041","0.0578","","","0.136","0.1548","","","","","","1.016","","","","has coordinates,has disorder","247415","2020-10-21","18:00:00",""
"4134097","10.024","0.0004","11.6749","0.0004","11.9422","0.0004","88.059","0.001","78.739","0.001","76.405","0.001","1332.17","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","1","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0399","0.0346","","","0.0874","0.0907","","","","","","1.029","","","","has coordinates","247474","2020-10-21","18:00:00",""
"4134098","11.3506","0.0008","21.435","0.0015","11.6494","0.0007","90","","118.503","0.003","90","","2490.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 B Li N O6 -","- C24 H33 B Li N O6 -","- C96 H132 B4 Li4 N4 O24 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0656","0.0394","","","0.0852","0.0947","","","","","","1.052","","","","has coordinates","247475","2020-10-21","18:00:00",""
"4134099","10.566","0.0008","17.8925","0.0015","25.953","0.002","90","","101.234","0.003","90","","4812.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 B Cu N3 O5 -","- C51 H67 B Cu N3 O5 -","- C204 H268 B4 Cu4 N12 O20 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.087","0.053","","","0.1184","0.1331","","","","","","1.035","","","","has coordinates,has disorder","247476","2020-10-21","18:00:00",""
"4134100","13.1375","0.0009","7.6331","0.0005","17.7668","0.0011","90","","90","","90","","1781.7","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1151","0.0985","","","0.2697","0.2873","","","","","","1.002","","","","has coordinates","247478","2020-10-21","18:00:00",""
"4134101","13.1772","0.0009","7.6745","0.0005","17.759","0.002","90","","90","","90","","1795.9","0.3","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1267","0.1068","","","0.286","0.309","","","","","","1.002","","","","has coordinates","247479","2020-10-21","18:00:00",""
"4134102","13.1942","0.0012","7.7179","0.0006","17.793","0.003","90","","90","","90","","1811.9","0.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1281","0.1046","","","0.2894","0.3123","","","","","","1.003","","","","has coordinates","247480","2020-10-21","18:00:00",""
"4134103","11.6748","0.0007","15.0381","0.001","36.178","0.002","90","","90","","90","","6351.7","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H43 N3 -","- C40 H43 N3 -","- C320 H344 N24 -","8","1","","An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert","Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts.","Journal of the American Chemical Society","2020","142","3","1526","1547","10.1021/jacs.9b11877","","","0.71073","MoKα","","0.0801","0.0486","","","0.088","0.0979","","","","","","1.066","","","","has coordinates","247481","2020-10-21","18:00:00",""
"4134104","11.7135","0.0014","14.8409","0.0015","12.0272","0.0013","90","","106.018","0.004","90","","2009.6","0.4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 -","- C25 H22 Br N3 -","- C100 H88 Br4 N12 -","4","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0543","0.0481","","","0.13","0.1363","","","","","","1.044","","","","has coordinates","247482","2020-10-21","18:00:00",""
"4134105","6.1625","0.0005","8.0217","0.0007","12.3804","0.0011","91.478","0.007","97.316","0.007","111.443","0.008","563.27","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","1","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0639","0.0545","","","0.1365","0.1418","","","","","","1.029","","","","has coordinates","247483","2020-10-21","18:00:00",""
"4134106","9.9079","0.0014","17.101","0.003","21.218","0.004","90","","97.44","0.005","90","","3564.8","1","273","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C184 H192 N16 -","8","2","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.1241","0.0926","","","0.2525","0.2996","","","","","","1.1796","","","","has coordinates","247484","2020-10-21","18:00:00",""
"4134107","51.021","0.003","8.3783","0.0007","8.2874","0.0006","90","","90","","90","","3542.6","0.4","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.5","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.1423","0.1029","","","0.2531","0.2775","","","","","","1.103","","","","has coordinates","247485","2020-10-21","18:00:00",""
"4134108","5.9165","0.0008","5.9165","0.0008","51.658","0.007","90","","90","","90","","1808.3","0.4","373","2","373","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C20 H72 Br20 N8 Sn6 -","2","0.125","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.0836","0.0431","","","0.0924","0.1123","","","","","","1.03","","","","has coordinates,has disorder","247486","2020-10-21","18:00:00",""
"4134109","8.3285","0.0003","51.1418","0.0017","8.3709","0.0003","90","","90","","90","","3565.5","0.2","330","2","330","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.25","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.089","0.0628","","","0.175","0.2008","","","","","","1.007","","","","has coordinates","247487","2020-10-21","18:00:00",""
"4134110","28.1578","0.0002","10.3555","0.0001","12.9667","0.0001","90","","93.156","0.001","90","","3775.2","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Haelsig, Karl T.; Xuan, Jun; Maimone, Thomas J.","Total Synthesis of (-)-Curvulamine.","Journal of the American Chemical Society","2020","142","3","1206","1210","10.1021/jacs.9b12546","","","1.54184","CuKα","","0.0415","0.0393","","","0.1061","0.1079","","","","","","1.07","","","","has coordinates","247488","2020-10-21","18:00:00",""
"4134111","33.4692","0.0014","33.4692","0.0014","33.4692","0.0014","90","","90","","90","","37492","3","230","2","230","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H72 N12 O33.88 Yb6 -","- C120 H72 N12 O33.86 Yb6 -","- C480 H288 N48 O135.44 Yb24 -","4","0.0208333","","Luo, Tian-Yi; White, David L.; Liu, Chong; Star, Alexander; Rosi, Nathaniel L.; Das, Prasenjit","Luminescence ""Turn-On"" Detection of Gossypol using Ln3±Based Metal-Organic Frameworks and Ln Salts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11429","","x-ray","1.54178","CuKα","","0.107","0.0983","","","0.2754","0.2831","","","","","","1.308","","","","has coordinates","247489","2020-10-21","18:00:00",""
"4134112","20.9151","0.0004","12.757","0.0002","18.9773","0.0003","90","","100.09","0.0018","90","","4985.1","0.15","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C69 H50 Cl2 -","- C69 H50 Cl2 -","- C276 H200 Cl8 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Highly Twisted, Nonplanar Aromatic Macrocycles Enabled by Axially Chiral 4,5-Diphenylphenanthrene Building Block.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13549","","","0.71073","MoKα","","0.0576","0.0508","","","0.1408","0.1465","","","","","","1.031","","","","has coordinates,has disorder","247490","2020-10-21","18:00:00",""
"4134113","12.1203","0.0004","20.8051","0.0008","21.0967","0.0007","90","","90","","90","","5319.8","0.3","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C73 H58 Cl2 -","- C73 H58 Cl2 -","- C292 H232 Cl8 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Highly Twisted, Nonplanar Aromatic Macrocycles Enabled by Axially Chiral 4,5-Diphenylphenanthrene Building Block.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13549","","","0.71073","MoKα","","0.0821","0.0727","","","0.1937","0.1991","","","","","","1.036","","","","has coordinates,has disorder","247491","2020-10-21","18:00:00",""
"4134114","4.5618","0.0004","16.2462","0.0015","24.088","0.002","90","","91.259","0.01","90","","1784.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","o-phenanthroline / 1,4-diiodotetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0763","0.048","","","0.103","0.1092","","","","","","1.029","","","","has coordinates","247492","2020-10-21","18:00:00",""
"4134115","10.4907","0.0002","5.5679","0.0001","23.0787","0.0004","90","","90.765","0.001","90","","1347.93","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acr-tfib 2/1","acridine-tetrafluoro-1,4-dioodobenzene 2/1","","- C32 H18 F4 I2 N2 -","- C32 H18 F4 I2 N2 -","- C64 H36 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0514","0.0346","","","0.096","0.1249","","","","","","1.214","","","","has coordinates","247493","2020-10-21","18:00:00",""
"4134116","11.0573","0.0004","5.7031","0.0002","14.0136","0.0006","90","","106.908","0.003","90","","845.51","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","","- C14 H12 F4 I2 N2 -","- C14 H12 F4 I2 N2 -","- C28 H24 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0586","0.0297","","","0.0675","0.0785","","","","","","1","","","","has coordinates","247494","2020-10-21","18:00:00",""
"4134117","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0661","0.0491","","","0.1112","0.1216","","","","","","1.017","","","","has coordinates","247495","2020-10-21","18:00:00",""
"4134118","16.8553","0.0004","12.3832","0.0003","37.1996","0.0008","90","","93.846","0.002","90","","7746.9","0.3","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 N O2 -","- C49 H51 N O2 -","- C392 H408 N8 O16 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1141","0.0818","","","0.2209","0.2584","","","","","","1.042","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134119","14.2903","0.0005","17.0847","0.0004","17.5892","0.0005","90","","97.972","0.003","90","","4252.8","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 Cl3 N -","- C51 H52 Cl3 N -","- C204 H208 Cl12 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1603","0.1252","","","0.3612","0.3981","","","","","","1.471","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134120","33.0129","0.0012","14.4043","0.0005","25.2944","0.001","90","","112.475","0.004","90","","11114.6","0.8","100.2","0.9","100.2","0.9","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C67.53 H61.29 Cl3.64 -","- C67.557 H61.294 Cl3.647 -","- C540.456 H490.352 Cl29.176 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1453","0.1151","","","0.3206","0.3593","","","","","","1.294","","","","has coordinates,has disorder","247498","2020-10-21","18:00:00",""
"4134121","10.5901","0.0001","13.8435","0.0002","26.7612","0.0004","90","","94.326","0.001","90","","3912.12","0.09","169.99","0.11","169.99","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 O2 -","- C50 H59 O2 -","- C200 H236 O8 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.107","0.0703","","","0.1856","0.2035","","","","","","1.097","","","","has coordinates","247499","2020-10-21","18:00:00",""
"4134122","17.5666","0.0004","11.9458","0.0002","21.4091","0.0005","90","","111.119","0.003","90","","4190.89","0.18","169.98","0.1","169.98","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 -","- C48 H68 -","- C192 H272 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0727","0.0702","","","0.1776","0.18","","","","","","1.076","","","","has coordinates","247500","2020-10-21","18:00:00",""
"4134123","14.1678","0.0002","17.2717","0.0003","17.8226","0.0002","90","","97.914","0.001","90","","4319.69","0.11","170","0.1","170","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 N -","- C50 H59 N -","- C200 H236 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0773","0.0616","","","0.1735","0.1885","","","","","","1.066","","","","has coordinates","247501","2020-10-21","18:00:00",""
"4134124","17.7064","0.0003","18.1407","0.0003","19.7159","0.0004","90","","108.079","0.002","90","","6020.2","0.2","169.99","0.11","169.99","0.11","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 -","- C82 H80 -","- C328 H320 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1004","0.0734","","","0.1966","0.2213","","","","","","1.042","","","","has coordinates","247502","2020-10-21","18:00:00",""
"4134125","18.4244","0.0005","10.1229","0.0002","42.563","0.001","90","","99.643","0.002","90","","7826.2","0.3","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H98 Cl6 -","- C98 H98 Cl6 -","- C392 H392 Cl24 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1845","0.1406","","","0.3849","0.4208","","","","","","1.421","","","","has coordinates,has disorder","247503","2020-10-21","18:00:00",""
"4134126","11.0308","0.0014","15.926","0.002","19.347","0.003","99.202","0.006","99.067","0.006","104.442","0.006","3179","0.8","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H104 F24 N8 O20 -","- C136 H104 F24 N8 O20 -","- C136 H104 F24 N8 O20 -","1","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.0611","0.0536","","","0.1439","0.1503","","","","","","1.033","","","","has coordinates,has disorder","247852","2020-10-21","18:00:00",""
"4134127","40.109","0.004","40.109","0.004","10.8259","0.0013","90","","90","","90","","17416","3","100","2","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C136 H118 F42 N16 O6 P7 -","- C136 H118 F42 N16 O6 P7 -","- C544 H472 F168 N64 O24 P28 -","4","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.1341","0.1051","","","0.2703","0.2963","","","","","","1.142","","","","has coordinates,has disorder","247853","2020-10-21","18:00:00",""
"4134128","14.0428","0.0012","10.8941","0.0009","16.0875","0.0013","90","","113.291","0.005","90","","2260.6","0.3","100","2","100.03","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.0667","0.0634","","","0.171","0.1751","","","","","","1.083","","","","has coordinates","247854","2020-10-21","18:00:00",""
"4134129","6.009","0.002","8.492","0.003","16.817","0.006","81.867","0.007","86.681","0.008","71.757","0.007","806.7","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 F12 N4 O4 P2 -","- C32 H30 F12 N4 O4 P2 -","- C32 H30 F12 N4 O4 P2 -","1","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","0.71073","MoKα","","0.1055","0.0471","","","0.0936","0.1135","","","","","","1.008","","","","has coordinates","247855","2020-10-21","18:00:00",""
"4134130","26.8848","0.0011","18.2115","0.0008","28.4594","0.0013","90","","90","","90","","13934.1","1.1","90","","90","","","","","","","","","8","P c a 21","P 2c -2ac","29","","C75H72BCl8F4N4O3Ru","","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C600 H568 B8 Cl64 F32 N32 O24 Ru8 -","8","2","","Zhang, Yutong; Diver, Steven T.","A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.","Journal of the American Chemical Society","2020","142","7","3371","3374","10.1021/jacs.0c00081","","","0.71073","MoKα","","0.0916","0.0687","","","0.1789","0.1981","","","","","","1.036","","","","has coordinates,has disorder","248710","2020-10-21","18:00:00",""
"4134131","27.9046","0.0008","27.1387","0.001","20.2736","0.0009","90","","92.255","0.002","90","","15341.2","1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H48.5 Cl1.5 Hg N18 O6 -","- C51.5 H48.5 Cl1.5 Hg N18 O6 -","- C412 H388 Cl12 Hg8 N144 O48 -","8","2","","Shi, Qixun; Zhou, Xiaohong; Yuan, Wei; Su, Xiaoshi; Neniškis, Algirdas; Wei, Xin; Taujenis, Lukas; Snarskis, Gustautas; Ward, Jas S.; Rissanen, Kari; de Mendoza, Javier; Orentas, Edvinas","Selective Formation of S4- and T-Symmetric Supramolecular Tetrahedral Cages and Helicates in Polar Media Assembled via Cooperative Action of Coordination and Hydrogen-Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00722","","","1.54178","CuKα","","0.1959","0.1335","","","0.3611","0.4101","","","","","","1.161","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4134132","9.1503","0.0006","5.3942","0.0003","22.8539","0.0014","90","","92.5446","0.0016","90","","1126.92","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N8 O3 S -","- C6 H10 N8 O3 S -","- C24 H40 N32 O12 S4 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.0642","0.0439","","","0.1118","0.1228","","","","","","1.035","","","","has coordinates","247956","2020-10-21","18:00:00",""
"4134133","8.5532","0.001","9.8822","0.0011","9.8764","0.0011","90","","105.449","0.002","90","","804.63","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N10 O2 -","- C4 H2 N10 O2 -","- C16 H8 N40 O8 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.1702","0.0575","","","0.0966","0.1252","","","","","","1.006","","","","has coordinates","247957","2020-10-21","18:00:00",""
"4134134","12.876","0.002","19.258","0.003","3.752","0.0007","90","","90.828","0.003","90","","930.3","0.3","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C4 H9 Cl N8 O2 -","- C4 H9 Cl N8 O2 -","- C16 H36 Cl4 N32 O8 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.0658","0.0417","","","0.0835","0.0928","","","","","","1.023","","","","has coordinates","247958","2020-10-21","18:00:00",""
"4134135","6.621","0.002","24.19","0.007","7.616","0.002","90","","101.177","0.01","90","","1196.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl N6 Na O6 -","- C4 H12 Cl N6 Na O6 -","- C16 H48 Cl4 N24 Na4 O24 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.053","0.047","","","0.1119","0.1144","","","","","","1.133","","","","has coordinates","247959","2020-10-21","18:00:00",""
"4134136","15.0892","0.0006","21.1101","0.0006","13.0805","0.0004","90","","98.788","0.002","90","","4117.7","0.2","104","2","103.8","","","","","","","","","3","C 1 2/m 1","-C 2y","12","alpha dodecatungstochromate(III)","","","- Cr0.6 O40 W12 -","- Cr0.6 O40 W12 -","- Cr1.2 O80 W24 -","2","0.25","","Gumerova, Nadiia I.; Roller, Alexander; Giester, Gerald; Krzystek, J.; Cano, Joan; Rompel, Annette","Incorporation of Cr<sup>III</sup> into a Keggin Polyoxometalate as a Chemical Strategy to Stabilize a Labile {Cr<sup>III</sup>O<sub>4</sub>} Tetrahedral Conformation and Promote Unattended Single-Ion Magnet Properties.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12797","","x-ray","1.54178","CuKα","","0.0724","0.0666","","","0.1802","0.1857","","","","","","1.086","","","","has coordinates,has disorder","247960","2020-10-21","18:00:00",""
"4134137","38.946","0.019","22.898","0.004","46.386","0.009","90","","103.52","0.03","90","","40220","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C407.65 H443.3 Cl1.3 N24 O67 -","- C407.65 H443.3 Cl1.3 N24 O67 -","- C1630.6 H1773.2 Cl5.2 N96 O268 -","4","1","","Moshniaha, Liliia; Żyła-Karwowska, Marika; Chmielewski, Piotr J.; Lis, Tadeusz; Cybinska, Joanna; Gońka, Elżbieta; Oschwald, Johannes; Drewello, Thomas; Medina Rivero, Samara; Casado, Juan; Stępień, Marcin","Aromatic Nanosandwich Obtained by σ-Dimerization of a Nanographenoid π-Radical.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13942","","","1.54184","CuKα","","0.3053","0.1414","","","0.3047","0.4219","","","","","","1.148","","","","has coordinates,has disorder","247961","2020-10-21","18:00:00",""
"4134138","9.587","0.0002","13.1727","0.0003","16.0211","0.0003","91.788","0.002","91.228","0.001","91.613","0.002","2020.96","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Pd(PCy3)2(OAc)2","","","- C40 H72 O4 P2 Pd -","- C40 H72 O4 P2 Pd -","- C80 H144 O8 P4 Pd2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0641","0.0659","","","","","","1.053","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134139","10.2937","0.0003","13.7632","0.0003","17.3117","0.0004","87.089","0.002","73.891","0.002","76.606","0.002","2291.99","0.1","169.97","0.18","169.97","0.18","","","","","","","","6","P -1","-P 1","2","Pd(PCy3)2(OAc)(SO2C6H4Me)","","","- C45 H76 O4 P2 Pd S -","- C45 H76 O4 P2 Pd S -","- C90 H152 O8 P4 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0304","0.0259","","","0.0622","0.0642","","","","","","1.053","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134140","10.0029","0.0002","29.0336","0.0008","11.5546","0.0003","90","","97.295","0.002","90","","3328.53","0.14","169.98","0.1","169.98","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Pd(PCy3)(SO2C5H3N)2","","","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C116 H172 Cl8 N8 O16 P4 Pd4 S8 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0326","0.0252","","","0.0535","0.0559","","","","","","1.019","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134141","13.3684","0.0004","24.2919","0.0006","9.5064","0.0002","90","","99.501","0.002","90","","3044.8","0.14","169.99","0.1","169.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4Me)]2","","","- C62 H88 F2 O4 P2 Pd2 S2 -","- C62 H88 F2 O4 P2 Pd2 S2 -","- C124 H176 F4 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0541","0.0408","","","0.0769","0.0802","","","","","","1.163","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134142","13.5764","0.001","24.6","0.002","9.5037","0.0006","90","","100.444","0.007","90","","3121.5","0.4","150","0.19","150","0.19","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4CF3)]2","","","- C62 H82 F8 O4 P2 Pd2 S2 -","- C62 H82 F8 O4 P2 Pd2 S2 -","- C124 H164 F16 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0669","0.0611","","","0.1464","0.1502","","","","","","1.071","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134143","33.707","0.002","9.0995","0.0003","27.7743","0.0018","90","","130.842","0.011","90","","6444.6","1.2","169.98","0.1","169.98","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(4-F-C6H4)Pd(PCy3)(SO2C6H4N)","","","- C32 H48 F N O2 P Pd S -","- C32 H48 F N O2 P Pd S -","- C256 H384 F8 N8 O16 P8 Pd8 S8 -","8","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0588","0.0386","","","0.0814","0.0886","","","","","","1.059","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134144","8.8944","0.0003","10.3439","0.0003","17.8359","0.0007","79.425","0.003","82.298","0.003","78.361","0.002","1571.88","0.1","150.01","0.12","150.01","0.12","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NOMe)","","","- C30.5 H44 Cl F N O3 P Pd S -","- C30.5 H44 Cl F N O3 P Pd S -","- C61 H88 Cl2 F2 N2 O6 P2 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0341","0.0292","","","0.0703","0.0734","","","","","","1.037","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134145","12.1932","0.0007","13.162","0.0007","13.4651","0.0008","64.568","0.005","86.354","0.005","77.968","0.005","1907.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NtBu)","","","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.057","0.0463","","","0.1187","0.1324","","","","","","1.034","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134146","9.7818","0.0003","13.9735","0.0004","33.9579","0.0009","90","","90","","90","","4641.6","0.2","169.98","0.1","169.98","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(4-F-C6H4)Pd(PCy3)2(SO2C6H4Me)","","","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C191.8 H303.8 Br0.6 F4 O6.8 P8 Pd4 S3.4 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.055","0.0468","","","0.0989","0.102","","","","","","1.108","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134147","9.5185","0.0006","13.3787","0.0006","14.2586","0.0008","62.876","0.005","78.221","0.005","78.401","0.004","1569.84","0.17","150.01","0.11","150.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0851","0.0685","","","0.1942","0.2221","","","","","","1.055","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134148","10.5859","0.0001","20.2148","0.0002","28.1308","0.0003","90","","95.53","0.001","90","","5991.75","0.1","150","0.13","150","0.13","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F4 N O2 P Pd S -","- C30 H40 F4 N O2 P Pd S -","- C240 H320 F32 N8 O16 P8 Pd8 S8 -","8","2","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0315","0.0275","","","0.0663","0.0687","","","","","","1.051","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134149","11.2702","0.0007","11.8317","0.0007","12.8794","0.001","100.208","0.003","90.767","0.003","110.714","0.003","1575.56","0.19","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","1","0.5","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","x-ray","0.71073","MoKα","","0.0876","0.0643","","","0.1407","0.1521","","","","","","1.027","","","","has coordinates,has disorder","248711","2020-10-21","18:00:00",""
"4134150","9.6158","0.0009","10.5411","0.001","13.8499","0.0014","99.752","0.003","106.021","0.004","98.98","0.004","1299","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H36 O -","- C33 H36 O -","- C66 H72 O2 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0666","0.0521","","","0.132","0.1433","","","","","","1.031","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134151","9.8007","0.0008","15.2538","0.001","18.072","0.0012","90","","90.781","0.003","90","","2701.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H73 N O2 -","- C68 H73 N O2 -","- C136 H146 N2 O4 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0592","0.0501","","","0.12","0.1263","","","","","","1.016","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134152","9.9018","0.0003","9.3208","0.0003","10.9888","0.0004","90","","98.357","0.003","90","","1003.42","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H21 N -","- C29 H21 N -","- C58 H42 N2 -","2","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.062","0.0503","","","0.1748","0.1867","","","","","","1.271","","","","has coordinates","247999","2020-10-21","18:00:00",""
"4134153","7.3665","0.0003","11.7506","0.0005","24.4058","0.0009","90","","93.813","0.004","90","","2107.91","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br N -","- C28 H20 Br N -","- C112 H80 Br4 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","0.71073","MoKα","","0.0593","0.044","","","0.0951","0.1056","","","","","","1.033","","","","has coordinates","248000","2020-10-21","18:00:00",""
"4134154","13.359","0.0002","9.3701","0.0002","17.1113","0.0003","90","","90","","90","","2141.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H20 F3 N -","- C29 H20 F3 N -","- C116 H80 F12 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0443","0.043","","","0.114","0.1165","","","","","","1.055","","","","has coordinates","248001","2020-10-21","18:00:00",""
"4134155","8.52164","0.0001","18.4767","0.0002","12.06929","0.00012","90","","95.2464","0.001","90","","1892.37","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N -","- C29 H19 N -","- C116 H76 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0498","0.0429","","","0.1131","0.1221","","","","","","1.076","","","","has coordinates","248002","2020-10-21","18:00:00",""
"4134156","9.248","0.002","10.033","0.002","21.131","0.005","90","","92.615","0.005","90","","1958.6","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N -","- C28 H23 N -","- C112 H92 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","","0.71073","MoKα","","0.1354","0.0837","","","0.1809","0.2072","","","","","","1.091","","","","has coordinates","248003","2020-10-21","18:00:00",""
"4134157","17.1558","0.0004","5.6825","0.00013","18.9738","0.0004","90","","101.778","0.002","90","","1810.77","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0558","0.0463","","","0.1128","0.1267","","","","","","1.07","","","","has coordinates","248004","2020-10-21","18:00:00",""
"4134158","9.1204","0.0018","18.592","0.004","11.379","0.002","90","","108.39","0.003","90","","1831","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","","0.71073","MoKα","","0.0686","0.0591","","","0.1255","0.1299","","","","","","1.161","","","","has coordinates","248005","2020-10-21","18:00:00",""
"4134159","25.574","0.005","27.719","0.006","29.313","0.006","90","","108.43","0.03","90","","19714","8","153","2","153","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H133 F12 N2 O12 P2 -","- C102 H133 F12 N2 O12 P2 -","- C816 H1064 F96 N16 O96 P16 -","8","1","","Jia, Fei; Schröder, Hendrik V; Yang, Liu-Pan; von Essen, Carolina; Sobottka, Sebastian; Sarkar, Biprajit; Rissanen, Kari; Jiang, Wei; Schalley, Christoph A.","Redox-Responsive Host-Guest Chemistry of a Flexible Cage with Naphthalene Walls.","Journal of the American Chemical Society","2020","142","7","3306","3310","10.1021/jacs.9b11685","","","0.71073","MoKα","","0.1368","0.077","","","0.1705","0.2076","","","","","","1.02","","","","has coordinates","248709","2020-10-21","18:00:00",""
"4134160","15.8749","0.0006","16.2805","0.0006","18.0681","0.0006","90","","90","","90","","4669.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-3","Zn(Im)1.81(ClmbIm)0.19","","- C16.22 H18.58 Cl0.38 N8.78 O0.78 Zn2 -","- C16.215 H17.46 Cl0.375 N8.78 O0.78 Zn2 -","- C129.72 H139.68 Cl3 N70.24 O6.24 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.1257","0.0968","","","0.295","0.3257","","","","","","1.205","","","","has coordinates,has disorder","248049","2020-10-21","18:00:00",""
"4134161","15.556","0.0005","15.6538","0.0005","18.0875","0.0006","90","","90","","90","","4404.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-2","Zn(Im)1.87(ClFbIm)0.13","","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C104.32 H96 Cl2.08 F2.08 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0535","0.0459","","","0.1408","0.1511","","","","","","1.074","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134162","15.697","0.0008","15.9694","0.001","17.9282","0.0016","90","","90","","90","","4494.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-UC-4","Zn(Im)1.66(FbIm)0.34","","- C14.73 H12 F0.68 N8 Zn2 -","- C14.728 H12.682 F0.682 N8 Zn2 -","- C117.824 H101.456 F5.456 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","x-ray","1.54184","CuKα","","0.1017","0.0663","","","0.1901","0.2174","","","","","","1.065","","","","has coordinates,has disorder","248051","2020-10-21","18:00:00",""
"4134163","15.726","0.0008","16.0184","0.0011","18.1617","0.001","90","","90","","90","","4575","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-5","Zn(Im)1.72(ClbIm)0.28","","- C15.44 H14.73 Cl0.57 N8.39 O0.39 Zn2 -","- C15.439 H15.291 Cl0.568 N8.389 O0.389 Zn2 -","- C123.512 H122.328 Cl4.544 N67.112 O3.112 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0872","0.0646","","","0.1888","0.2107","","","","","","1.103","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134164","10.0903","0.0005","16.1879","0.0007","14.6275","0.0006","90","","90","","90","","2389.27","0.19","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Co N7 O2 -","- C18 H34 Co N7 O2 -","- C72 H136 Co4 N28 O8 -","4","0.5","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.1824","0.1617","","","0.2585","0.2664","","","","","","1.417","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134165","12.7427","0.001","12.7427","0.001","19.2613","0.0007","90","","90","","90","","3127.6","0.4","90","2","90","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C36 H83 Co2 N24 O8 P4 Yb -","- C36 H83 Co2 N24 O8 P4 Yb -","- C72 H166 Co4 N48 O16 P8 Yb2 -","2","0.0625","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.0678","0.0672","","","0.1696","0.1704","","","","","","1.098","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134166","9.9436","0.0003","10.0616","0.0003","33.1823","0.001","90","","94.971","0.001","90","","3307.35","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 B2 N2 O2 -","- C23 H32 B2 N2 O2 -","- C138 H192 B12 N12 O12 -","6","3","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0483","0.0461","","","0.1253","0.1281","","","","","","1.123","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134167","12.8184","0.0005","14.4126","0.0006","13.8468","0.0005","90","","98.915","0.001","90","","2527.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 B3 N4 O2 -","- C28 H31 B3 N4 O2 -","- C112 H124 B12 N16 O8 -","4","2","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0467","0.0464","","","0.1247","0.1251","","","","","","1.038","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134168","13.6508","0.0005","6.5437","0.0002","16.043","0.0005","90","","96.376","0.003","90","","1424.2","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0681","0.0504","","","0.1082","0.1172","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134169","16.4821","0.0011","11.7361","0.0007","12.1569","0.0007","90","","110.168","0.007","90","","2207.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B2 O4 -","- C22 H32 B2 O4 -","- C88 H128 B8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0936","0.0713","","","0.1815","0.1906","","","","","","0.99","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134170","12.6555","0.0004","11.109","0.0004","9.1227","0.0004","90","","98.759","0.004","90","","1267.6","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 -","- C17 H13 F3 -","- C68 H52 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0629","0.0464","","","0.0975","0.1063","","","","","","1.063","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134171","6.0297","0.0002","17.3499","0.0005","18.4258","0.0007","69.193","0.003","84.17","0.003","86.052","0.003","1791.46","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C96 H78 N6 O12 -","6","3","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.1145","0.1306","","","","","","1.013","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134172","6.1082","0.0002","7.4449","0.0002","13.477","0.0005","90","","94.885","0.003","90","","610.64","0.03","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O -","- C17 H16 O -","- C34 H32 O2 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0518","0.0425","","","0.0871","0.0907","","","","","","1.026","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134173","14.0151","0.0005","6.2442","0.0002","24.7473","0.0008","90","","101.462","0.004","90","","2122.52","0.13","150","2","150","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C14 H12 S -","- C14 H12 S -","- C112 H96 S8 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0478","0.0397","","","0.0832","0.087","","","","","","1.028","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134174","9.8589","0.0007","7.7089","0.0005","48.243","0.003","90","","90","","90","","3666.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F6 -","- C24 H16 F6 -","- C192 H128 F48 -","8","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1475","0.0879","","","0.1446","0.1673","","","","","","1.11","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134175","10.598","0.0004","11.569","0.0005","14.0558","0.0006","90","","91.353","0.004","90","","1722.88","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1072","0.0557","","","0.0943","0.1125","","","","","","1.007","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134176","5.9688","0.0003","9.4191","0.0005","12.889","0.0006","109.12","0.005","92.769","0.004","96.001","0.004","678.27","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0741","0.0473","","","0.0912","0.1007","","","","","","1.039","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134177","11.54","0.003","23.458","0.005","6.0948","0.0011","90","","92.458","0.018","90","","1648.4","0.6","150","0.14","150","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F3 -","- C23 H17 F3 -","- C92 H68 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.2016","0.1052","","","0.2526","0.3094","","","","","","1.027","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134178","6.0199","0.0005","10.2544","0.0008","13.5415","0.001","77.465","0.006","79.509","0.006","86.865","0.006","802.26","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C42 H30 F6 N4 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1036","0.0587","","","0.0964","0.1117","","","","","","1.049","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134179","14.6017","0.001","10.0834","0.0007","13.3292","0.0008","90","","90.884","0.007","90","","1962.3","0.2","149.9","0.2","149.9","0.2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0885","0.0554","","","0.0967","0.1102","","","","","","1.017","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134180","12.0859","0.0008","14.622","0.0008","11.3077","0.0007","90","","90","","90","","1998.3","0.2","150.1","0.2","150.1","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C104 H96 N16 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0753","0.0525","","","0.0929","0.1027","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134181","5.9975","0.0003","10.0967","0.0005","13.1405","0.0008","108.776","0.005","90.715","0.005","96.917","0.004","746.78","0.07","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0547","0.0445","","","0.1004","0.1066","","","","","","1.04","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134182","10.8015","0.0002","17.679","0.0003","19.6851","0.0014","90","","90","","90","","3759.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Au Cl O5 P2 -","- C41 H34 Au Cl O5 P2 -","- C164 H136 Au4 Cl4 O20 P8 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0386","0.0362","","","0.0839","0.0869","","","","","","1.082","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134183","11.26267","0.00018","19.0781","0.0004","31.7278","0.0006","90","","90","","90","","6817.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Au Cl2 O3 P2 -","- C38 H25 Au Cl2 O3 P2 -","- C304 H200 Au8 Cl16 O24 P16 -","8","2","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","x-ray","0.71073","MoKα","","0.0661","0.0437","","","0.0874","0.0927","","","","","","1.045","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134184","6.6896","0.0003","8.6995","0.0003","28.863","0.002","90","","90","","90","","1679.72","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0326","0.0297","","","0.0747","0.0789","","","","","","1.075","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134185","8.2617","0.0002","10.119","0.0003","19.4887","0.0005","90","","90","","90","","1629.26","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0404","0.0372","","","0.0967","0.1003","","","","","","1.026","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134186","10.8561","0.0001","10.8561","0.0001","41.1767","0.0006","90","","90","","90","","4852.88","0.09","179.99","0.1","179.99","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H36 O6 Si -","- C25 H36 O6 Si -","- C200 H288 O48 Si8 -","8","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","0.0873","0.0888","","","","","","1.017","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134187","10.2109","0.0002","13.271","0.0002","14.7561","0.0002","90","","90","","90","","1999.58","0.06","180","0.2","180","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C88 H108 Br4 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0294","0.0266","","","0.0682","0.0696","","","","","","1.05","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134188","13.6338","0.0005","11.3956","0.0003","16.6242","0.0005","90","","110.443","0.004","90","","2420.16","0.15","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O9 -","- C26 H38 O9 -","- C104 H152 O36 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0608","0.045","","","0.1075","0.114","","","","","","1.041","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134189","7.2201","0.0003","16.362","0.0009","34.0093","0.0018","90","","90","","90","","4017.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.072","0.0421","","","0.0857","0.093","","","","","","1.052","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134190","7.0005","0.0003","7.3078","0.0003","10.9418","0.0003","71.334","0.003","87.561","0.003","84.38","0.003","527.73","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C23 H37 N O5 -","1","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0308","0.0291","","","0.0806","0.0823","","","","","","1.056","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134191","14.1237","0.0003","12.3532","0.0003","20.8073","0.0004","90","","90","","90","","3630.31","0.14","180","0.1","180","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0481","0.0417","","","0.1121","0.1188","","","","","","1.029","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134192","13.5823","0.0002","10.5419","0.0002","19.9707","0.0003","90","","91.607","0.002","90","","2858.35","0.08","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O5 Si2 -","- C28 H44 O5 Si2 -","- C112 H176 O20 Si8 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0458","0.0383","","","0.1015","0.1058","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134193","12.7153","0.0003","8.016","0.0002","14.8477","0.0004","90","","105.261","0.002","90","","1460","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 O3 -","- C14 H18 Br2 O3 -","- C56 H72 Br8 O12 -","4","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.042","0.0362","","","0.0774","0.0793","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134194","8.4588","0.0011","14.545","0.002","20.429","0.003","90","","90","","90","","2513.4","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C120 H108 N4 O8 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0492","0.0405","","","0.0918","0.0967","","","","","","1.046","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134195","8.6108","0.0009","16.6846","0.0017","17.8727","0.0019","90","","90","","90","","2567.7","0.5","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0449","0.0388","","","0.0886","0.0914","","","","","","1.07","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134196","8.4797","0.0014","9.7632","0.0017","13.361","0.002","90","","101.819","0.007","90","","1082.7","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O5 S2 -","- C23 H23 N O5 S2 -","- C46 H46 N2 O10 S4 -","2","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0431","0.0421","","","0.1074","0.1084","","","","","","1.034","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134197","11.04683","0.00014","9.43212","0.00012","16.266","0.0002","90","","96.9247","0.0012","90","","1682.47","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O9 -","- C37 H45 N O9 -","- C74 H90 N2 O18 -","2","1","","Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N.","Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","142","8","4061","4069","10.1021/jacs.0c00335","","","1.54178","CuKα","","0.0352","0.0341","","","0.0905","0.0913","","","","","","1.069","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4134198","52.0158","0.0016","8.9727","0.0003","8.9745","0.0003","90","","90","","90","","4188.6","0.2","298","2","298.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.0599","0.0444","","","0.1257","0.1425","","","","","","1.077","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134199","52.169","0.006","8.9731","0.0006","8.9417","0.0011","90","","90.073","0.009","90","","4185.8","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.0851","0.0778","","","0.087","0.0872","","","","4.89","4.89","4.59","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134200","52.424","0.01","8.9841","0.0018","8.9429","0.0018","90","","90.15","0.03","90","","4211.9","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.1587","0.0862","","","0.227","0.3164","","","","","","0.993","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134201","52.209","0.006","8.9061","0.0006","8.94","0.0011","90","","90.002","0.009","90","","4156.9","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.1597","0.1086","","","0.1095","0.1127","","","","5.38","5.38","4.78","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134202","9.4761","0.0005","25.927","0.0009","25.4632","0.0009","90","","97.891","0.004","90","","6196.7","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C272 H56 Cl16 Cu8 F120 N24 O8 -","4","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","0.71075","MoKα","","0.1302","0.0986","","","0.2325","0.2485","","","","","","1.157","","","","has coordinates,has disorder","248294","2020-10-21","18:00:00",""
"4134203","25.2251","0.0014","25.2251","0.0014","32.2322","0.001","90","","90","","90","","20509.5","1.7","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C88 H85 F20 N10 O6.5 Si2 -","- C88 H85 F20 N10 O6.5 Si2 -","- C704 H680 F160 N80 O52 Si16 -","8","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","1.54187","CuKα","","0.1151","0.0922","","","0.2069","0.2173","","","","","","1.227","","","","has coordinates,has disorder","248295","2020-10-21","18:00:00",""
"4134204","7.8292","0.0003","11.0341","0.0004","12.7149","0.0006","90","","100.843","0.001","90","","1078.81","0.08","109","2","109","2","","","","","","","","5","P 1 21 1","P 2yb","4","ARM-PS017","","","- C26 H24 B K O2 -","- C26 H24 B K O2 -","- C52 H48 B2 K2 O4 -","2","1","","Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian","Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12300","","","0.71073","MoKα","","0.0366","0.0312","","","0.0714","0.0746","","","","","","1.04","","","","has coordinates","248325","2020-10-21","18:00:00",""
"4134205","9.8924","0.0004","10.0377","0.0004","11.5787","0.0004","82.567","0.001","81.296","0.001","88.212","0.001","1126.86","0.07","102","2","102","2","","","","","","","","6","P -1","-P 1","2","ARM518","","","- C26 H21.56 B F3 K O1.28 -","- C26 H21 B F3 K O1.282 -","- C52 H42 B2 F6 K2 O2.564 -","2","1","","Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian","Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12300","","","0.71073","MoKα","","0.0661","0.0566","","","0.1425","0.1499","","","","","","1.054","","","","has coordinates","248326","2020-10-21","18:00:00",""
"4134206","58.143","0.002","11.9245","0.0005","15.4738","0.0007","90","","102.308","0.003","90","","10481.8","0.7","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H47.67 B3 F12 N6 O1.33 -","- C48 H47.6666 B3 F12 N6 O1.3333 -","- C384 H381.333 B24 F96 N48 O10.6664 -","8","1","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","","1.54178","CuKα","","0.119","0.1079","","","0.2933","0.3034","","","","","","1.073","","","","has coordinates,has disorder","248327","2020-10-21","18:00:00",""
"4134207","57.8973","0.0016","11.8809","0.0003","15.7534","0.0004","90","","103.731","0.002","90","","10526.6","0.5","100","2","100.04","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H90 B6 F24 N12 O3 -","- C96 H90 B6 F24 N12 O3 -","- C384 H360 B24 F96 N48 O12 -","4","0.5","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","x-ray","1.54178","CuKα","","0.165","0.1469","","","0.4258","0.4541","","","","","","1.96","","","","has coordinates,has disorder","248328","2020-10-21","18:00:00",""
"4134208","57.282","0.007","11.7334","0.0015","16.2714","0.0018","90","","104.674","0.007","90","","10580","2","102","2","101.93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H45 B3 F12 N6 O -","- C48 H45 B3 F12 N6 O -","- C384 H360 B24 F96 N48 O8 -","8","1","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","","1.54178","CuKα","","0.1973","0.1698","","","0.4544","0.4877","","","","","","2.123","","","","has coordinates,has disorder","248329","2020-10-21","18:00:00",""
"4134209","8.518","0.0001","11.7992","0.0003","25.2433","0.0005","90","","92.423","0.001","90","","2534.82","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 Ti -","- C33 H30 N2 Ti -","- C132 H120 N8 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0803","0.0512","","","0.11","0.1233","","","","","","1.019","","","","has coordinates","248330","2020-10-21","18:00:00",""
"4134210","9.2324","0.0008","9.9661","0.0008","13.0708","0.0011","100.435","0.003","100.308","0.004","93.958","0.004","1157.27","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","19002","","","- C26 H23 Cl2 N2 Ti -","- C26 H23 Cl2 N2 Ti -","- C52 H46 Cl4 N4 Ti2 -","2","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0976","0.057","","","0.1363","0.1679","","","","","","1.075","","","","has coordinates","248331","2020-10-21","18:00:00",""
"4134211","10.952","0.004","16.038","0.005","15.834","0.006","90","","105.03","0.02","90","","2686.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl2 N4 Ti -","- C29 H30 Cl2 N4 Ti -","- C116 H120 Cl8 N16 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0729","0.0513","","","0.126","0.1391","","","","","","1.093","","","","has coordinates","248332","2020-10-21","18:00:00",""
"4134212","19.9721","0.0006","20.562","0.0006","15.0039","0.0004","90","","97.505","0.001","90","","6108.8","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl2 N2 O0.5 Ti -","- C35 H35 Cl2 N2 O0.5 Ti -","- C280 H280 Cl16 N16 O4 Ti8 -","8","2","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.1085","0.0636","","","0.1317","0.1516","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134213","15.6951","0.0006","12.0965","0.0005","20.2737","0.0009","90","","109.224","0.001","90","","3634.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Cl2 N4 Ti -","- C40 H46 Cl2 N4 Ti -","- C160 H184 Cl8 N16 Ti4 -","4","0.5","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0601","0.0387","","","0.0927","0.1053","","","","","","1.076","","","","has coordinates","248334","2020-10-21","18:00:00",""
"4134214","17.105","0.001","9.706","0.0005","15.0812","0.0008","90","","106.174","0.002","90","","2404.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 N3 Ti -","- C25 H27 Cl2 N3 Ti -","- C100 H108 Cl8 N12 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.078","0.0407","","","0.0903","0.1118","","","","","","1.057","","","","has coordinates","248335","2020-10-21","18:00:00",""
"4134215","9.2825","0.0004","11.7953","0.0005","14.3737","0.0005","86.209","0.001","82.03","0.001","70.43","0.001","1468.21","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 Ti -","- C33 H30 Cl2 N4 Ti -","- C66 H60 Cl4 N8 Ti2 -","2","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0487","0.0376","","","0.0892","0.0954","","","","","","1.055","","","","has coordinates,has disorder","248336","2020-10-21","18:00:00",""
"4134216","19.1089","0.001","23.798","0.002","10.2583","0.0009","90","","97.357","0.006","90","","4626.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H71 Fe Gd N2 O -","- C49 H71 Fe Gd N2 O -","- C196 H284 Fe4 Gd4 N8 O4 -","4","0.5","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","0.71073","MoKα","","0.1163","0.0759","","","0.1466","0.1687","","","","","","1.082","","","","has coordinates,has disorder","248337","2020-10-21","18:00:00",""
"4134217","25.4275","0.0018","20.3332","0.0004","15.0048","0.0011","90","","142.261","0.015","90","","4748.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Fe N4 O2 -","- C23 H29 Fe N4 O2 -","- C184 H232 Fe8 N32 O16 -","8","2","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","1.54184","CuKα","","0.053","0.0403","","","0.0944","0.1009","","","","","","1.012","","","","has coordinates","248338","2020-10-21","18:00:00",""
"4134218","8.6617","0.0001","21.2088","0.0001","22.7976","0.0001","90","","90","","90","","4188.02","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe N4 O2 Y -","- C43 H59 Fe N4 O2 Y -","- C172 H236 Fe4 N16 O8 Y4 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0269","0.026","","","0.0669","0.0677","","","","","","0.998","","","","has coordinates,has disorder","248339","2020-10-21","18:00:00",""
"4134219","14.1543","0.0008","19.3278","0.0008","21.0046","0.0009","100.68","0.004","109.484","0.005","92.982","0.004","5283","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H71 Fe N4 O2 Y -","- C49 H71 Fe N4 O2 Y -","- C196 H284 Fe4 N16 O8 Y4 -","4","2","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0887","0.0594","","","0.1248","0.1449","","","","","","0.956","","","","has coordinates","248340","2020-10-21","18:00:00",""
"4134220","14.174","0.0003","19.2468","0.0004","20.88","0.0004","100.408","0.002","109.137","0.002","93.002","0.002","5254.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H166 Fe2 Gd2 N8 O4 -","- C108 H166 Fe2 Gd2 N8 O4 -","- C216 H332 Fe4 Gd4 N16 O8 -","2","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","1.54184","CuKα","","0.0411","0.034","","","0.0821","0.0869","","","","","","1.011","","","","has coordinates,has disorder","248341","2020-10-21","18:00:00",""
"4134221","8.6849","0.0002","21.2561","0.0003","22.8285","0.0004","90","","90","","90","","4214.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe Gd N4 O2 -","- C43 H59 Fe Gd N4 O2 -","- C172 H236 Fe4 Gd4 N16 O8 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0427","0.0381","","","0.1151","0.1216","","","","","","0.932","","","","has coordinates,has disorder","248342","2020-10-21","18:00:00",""
"4134222","11.5668","0.0005","12.4022","0.0005","15.009","0.0008","100.604","0.004","111.178","0.004","91.002","0.004","1965.1","0.17","150","0.3","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C39 H65 Fe N5 O2 -","- C39 H65 Fe N5 O2 -","- C78 H130 Fe2 N10 O4 -","2","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","0.71073","MoKα","","0.0712","0.0571","","","0.1471","0.1618","","","","","","1.043","","","","has coordinates","248343","2020-10-21","18:00:00",""
"4134223","19.139","0.0011","23.753","0.003","10.224","0.0007","90","","97.911","0.007","90","","4603.7","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H71 Fe N2 O Y -","- C49 H71 Fe N2 O Y -","- C196 H284 Fe4 N8 O4 Y4 -","4","0.5","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","0.71073","MoKα","","0.1713","0.0877","","","0.17","0.2189","","","","","","1","","","","has coordinates,has disorder","248344","2020-10-21","18:00:00",""
"4134224","13.594","0.003","22.789","0.005","23.453","0.005","90","","95.29","0.03","90","","7235","3","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 B2 Mg N4 O3 Si2 -","- C64 H96 B2 Mg N4 O3 Si2 -","- C256 H384 B8 Mg4 N16 O12 Si8 -","4","1","","Tian, Miao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Isolation of a 1-Magnesium-2,3-Disilacyclopropene and a Related Bis(disilenide).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00519","","","0.71073","MoKα","","0.1469","0.0829","","","0.206","0.2412","","","","","","0.998","","","","has coordinates","248345","2020-10-21","18:00:00",""
"4134225","8.945","0.0006","16.8606","0.0011","17.7667","0.0013","74.859","0.006","82.66","0.006","83.509","0.006","2556.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H53 Cl2 N5 O7 -","- C58 H53 Cl2 N5 O7 -","- C116 H106 Cl4 N10 O14 -","2","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.0828","0.0638","","","0.1681","0.1779","","","","","","1.019","","","","has coordinates,has disorder","248378","2020-10-21","18:00:00",""
"4134226","26.754","0.003","26.05","0.003","31.756","0.003","90","","90","","90","","22132","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C993.2 H828 Cl66.4 N80 O112 P16 -","8","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71073","MoKα","","0.1286","0.0769","","","0.199","0.2227","","","","","","1.358","","","","has coordinates,has disorder","248379","2020-10-21","18:00:00",""
"4134227","13.2795","0.0002","15.0499","0.0004","18.2901","0.0004","66.029","0.002","72.0312","0.0017","85.1829","0.0017","3173.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.25 H35 N2.5 O4.75 P0.5 -","- C35.25 H35 N2.5 O4.75 P0.5 -","- C141 H140 N10 O19 P2 -","4","2","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.1477","0.076","","","0.2008","0.2324","","","","","","0.982","","","","has coordinates,has disorder","248380","2020-10-21","18:00:00",""
"4134228","13.856","0.0011","5.5729","0.0003","13.5129","0.0009","90","","103.236","0.008","90","","1015.72","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 O -","- C9 H17 N3 O -","- C36 H68 N12 O4 -","4","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.1151","0.0913","","","0.2387","0.2586","","","","","","1.066","","","","has coordinates","248381","2020-10-21","18:00:00",""
"4134233","13.4608","0.0002","29.8404","0.0005","17.2593","0.0003","90","","103.92","0.0017","90","","6729","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Br Mn N4 O3 -","- C35 H38 Br Mn N4 O3 -","- C280 H304 Br8 Mn8 N32 O24 -","8","2","","Rønne, Magnus Haugaard H; Cho, Dasol; Madsen, Monica R.; Jakobsen, Joakim B.; Eom, Seunghwan; Escoudé, Émile; Hammershøj, Hans Christian D; Nielsen, Dennis U.; Pedersen, Steen U.; Baik, Mu-Hyun; Skrydstrup, Troels; Daasbjerg, Kim","Ligand Controlled Product Selectivity in the Electrochemical Carbon Dioxide Reduction Using Manganese Bipyridine Catalysts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11806","","x-ray","0.71073","MoKα","","0.077","0.0603","","","0.1631","0.1758","","","","","","1.054","","","","has coordinates","248421","2020-10-21","18:00:00",""
"4134234","77.656","0.016","32.255","0.007","64.599","0.013","90","","118.26","0.03","90","","142521","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C492 H1340 Br6 Gd102 N60 Ni36 O832 S54 -","- C432 H695 Br6 Gd102 N54 Ni36 O624 S54 -","- C1728 H2780 Br24 Gd408 N216 Ni144 O2496 S216 -","4","0.5","","Chen, Wei-Peng; Liao, Pei-Qin; Jin, Peng-Bo; Zhang, Lei; Ling, Bo-Kai; Wang, Shi-Cheng; Chan, Yi-Tsu; Chen, Xiao-Ming; Zheng, Yan-Zhen","The Gigantic {Ni<sub>36</sub>Gd<sub>102</sub>} Hexagon: A Sulfate-Templated ""Star-of-David"" for Photocatalytic CO<sub>2</sub> Reduction and Magnetic Cooling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11543","","","0.8265","synchrotron","","0.2127","0.1258","","","0.2789","0.3145","","","","","","1.076","","","","has coordinates","248422","2020-10-21","18:00:00",""
"4134235","9.8221","0.0004","9.8415","0.0004","11.7712","0.0004","78.958","0.006","87.087","0.006","69.349","0.005","1044.86","0.08","296","","296","","","","","","","","","3","P 1","P 1","1","","","","- C31 H27 Br -","- C29 H22 Br -","- C58 H44 Br2 -","2","2","","Takano, Hideaki; Shiozawa, Natsumi; Imai, Yoshitane; Kanyiva, Kyalo Stephen; Shibata, Takanori","Catalytic Enantioselective Synthesis of Axially Chiral Polycyclic Aromatic Hydrocarbons (PAHs) via Regioselective C-C Bond Activation of Biphenylenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12205","","","1.54187","CuKα","","0.0529","0.0513","","","0.137","0.138","","","","","","1.058","","","","has coordinates","248434","2020-10-21","18:00:00",""
"4134236","20.808475","","11.960014","","19.896179","","90","","120.03","","90","","4286.88","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C4.091 H377.543 Br3.463 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","1","0.25","","Lyu, Jiafei; Gong, Xinyi; Lee, Seung-Joon; Gnanasekaran, Karthikeyan; Zhang, Xuan; Wasson, Megan C.; Wang, Xingjie; Bai, Peng; Guo, Xianghai; Gianneschi, Nathan C.; Farha, Omar K.","Phase Transitions in Metal-Organic Frameworks Directly Monitored through In Situ Variable Temperature Liquid-Cell Transmission Electron Microscopy and In Situ X-ray Diffraction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00542","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","248435","2020-10-21","18:00:00",""
"4134237","9.358","0.002","10.445","0.003","12.247","0.003","101.79","0.006","108.779","0.006","110.077","0.005","995.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl F3 N O2 -","- C21 H20 Cl F3 N O2 -","- C42 H40 Cl2 F6 N2 O4 -","2","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.1248","0.0715","","","0.1767","0.1955","","","","","","1.186","","","","has coordinates","248436","2020-10-21","18:00:00",""
"4134238","31.023","0.007","31.023","0.007","7.2503","0.0014","90","","90","","120","","6043","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H17 N -","- C18 H17 N -","- C324 H306 N18 -","18","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.0864","0.0524","","","0.1272","0.1443","","","","","","0.952","","","","has coordinates","248437","2020-10-21","18:00:00",""
"4134239","10.0206","0.0014","13.4853","0.0018","12.9729","0.0018","90","","96","0.003","90","","1743.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F3 N O2 -","- C20 H18 F3 N O2 -","- C80 H72 F12 N4 O8 -","4","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.2101","0.1026","","","0.2154","0.2533","","","","","","1.262","","","","has coordinates,has disorder","248438","2020-10-21","18:00:00",""
"4134240","14.1391","0.0003","15.2551","0.0004","15.3506","0.0003","78.101","0.002","71.786","0.002","84.391","0.002","3075.57","0.13","105.4","0.5","105.4","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C78 H84 Cl2 -","- C78 H84 Cl2 -","- C156 H168 Cl4 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.053","0.0478","","","0.1275","0.1323","","","","","","1.042","","","","has coordinates","248446","2020-10-21","18:00:00",""
"4134241","19.8661","0.0003","18.8637","0.0003","24.5531","0.0004","90","","104.684","0.001","90","","8900.7","0.2","109.7","0.5","109.7","0.5","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 N4 -","- C42 H34 N4 -","- C336 H272 N32 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.0591","0.0508","","","0.1409","0.1471","","","","","","1.036","","","","has coordinates,has disorder","248447","2020-10-21","18:00:00",""
"4134242","25.369","0.006","12.529","0.003","16.684","0.004","90","","95.093","0.004","90","","5282","2","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 Cl2 -","- C62 H84 Cl2 -","- C248 H336 Cl8 -","4","0.5","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.1021","0.0971","","","0.278","0.2831","","","","","","1.124","","","","has coordinates,has disorder","248448","2020-10-21","18:00:00",""
"4134243","18.12102","0.00008","18.06784","0.00007","12.92384","0.00006","90","","90","","90","","4231.36","0.03","173","0.1","173","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C48 H56 -","- C48 H56 -","- C192 H224 -","4","0.5","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","1.54184","CuKα","","0.0712","0.0534","","","0.1485","0.1608","","","","","","1.041","","","","has coordinates","248449","2020-10-21","18:00:00",""
"4134244","11.7332","0.0003","12.2075","0.0004","16.3902","0.0005","72.612","0.003","88.798","0.002","61.9","0.003","1956.16","0.12","173","0.1","173","","","","","","","","","2","P -1","-P 1","2","","","","- C48 H60 -","- C48 H56 -","- C96 H112 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","1.54184","CuKα","","0.0643","0.0565","","","0.148","0.1562","","","","","","1.042","","","","has coordinates","248450","2020-10-21","18:00:00",""
"4134245","14.5216","0.0003","15.2767","0.0003","17.1544","0.0002","75.021","0.002","88.603","0.001","65.324","0.002","3325.4","0.12","99.98","0.16","99.98","0.16","","","","","","","","2","P -1","-P 1","2","","","","- C72 H72 -","- C72 H72 -","- C144 H144 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.068","0.0614","","","0.1493","0.154","","","","","","1.074","","","","has coordinates,has disorder","248451","2020-10-21","18:00:00",""
"4134246","15.004","0.003","15.137","0.003","16.382","0.003","91.66","0.03","97.12","0.03","114.55","0.03","3344.8","1.4","173","2","173.15","","","","","","","","","2","P -1","-P 1","2","","","","- C72 H72 -","- C72 H72 -","- C144 H144 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.119","0.105","","","0.25","0.2594","","","","","","1.165","","","","has coordinates","248452","2020-10-21","18:00:00",""
"4134247","14.0137","0.001","14.8522","0.0007","30.5015","0.0014","99.833","0.004","96.296","0.005","101.675","0.005","6056.9","0.6","102","1","102","1","","","","","","","","5","P -1","-P 1","2","","","","- C104 H64 Cl8 N8 O8 -","- C104 H64 Cl8 N8 O8 -","- C208 H128 Cl16 N16 O16 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1601","0.1318","","","0.3647","0.3834","","","","","","1.325","","","","has coordinates","248453","2020-10-21","18:00:00",""
"4134248","27.3673","0.0005","24.3761","0.0005","25.0658","0.0004","90","","90","","90","","16721.6","0.5","112","1","112","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C85 H69 Cl3 N8 -","- C85 H69 Cl3 N8 -","- C680 H552 Cl24 N64 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1526","0.1358","","","0.4101","0.427","","","","","","1.637","","","","has coordinates,has disorder","248454","2020-10-21","18:00:00",""
"4134249","13.112","0.002","36.79","0.007","13.941","0.003","90","","94.675","0.003","90","","6703","2","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C78 H83 N -","- C78 H83 N -","- C312 H332 N4 -","4","2","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.1104","0.093","","","0.2301","0.2497","","","","","","1.058","","","","has coordinates,has disorder","248455","2020-10-21","18:00:00",""
"4134250","13.4917","0.0009","15.7383","0.001","19.8762","0.0013","67.001","0.006","82.321","0.005","83.718","0.005","3842.5","0.5","99.99","0.13","99.99","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C92 H74 Cl4 N6 O4 -","- C92 H74 Cl4 N6 O4 -","- C184 H148 Cl8 N12 O8 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1527","0.0938","","","0.2263","0.2585","","","","","","1.044","","","","has coordinates,has disorder","248456","2020-10-21","18:00:00",""
"4134251","10.602","0.003","12.553","0.003","16.667","0.004","100.365","0.003","98.374","0.002","111.432","0.002","1976.2","0.9","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H59.8 Cl0.2 O0.9 -","- C49 H59.8446 Cl0.1554 O0.9482 -","- C98 H119.689 Cl0.3108 O1.8964 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.710747","MoKα","","0.0716","0.0665","","","0.1561","0.1607","","","","","","1.105","","","","has coordinates,has disorder","248457","2020-10-21","18:00:00",""
"4134252","14.2701","0.0007","21.8579","0.001","17.2886","0.0008","90","","110.914","0.005","90","","5037.3","0.4","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 -","- C60 H80 -","- C240 H320 -","4","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","0.71073","MoKα","","0.0974","0.0609","","","0.1271","0.1442","","","","","","1.015","","","","has coordinates","248458","2020-10-21","18:00:00",""
"4134253","14.8771","0.0009","9.4425","0.0005","5.8322","0.0004","90","","90","","90","","819.29","0.09","293","2","293","2","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0585","0.0545","","","0.152","0.1569","","","","","","1.003","","","","has coordinates","248459","2020-10-21","18:00:00",""
"4134254","14.9094","0.0006","9.4872","0.0004","5.8622","0.0003","90","","90","","90","","829.2","0.06","393","2","393","2","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0388","0.0358","","","0.091","0.0925","","","","","","1.004","","","","has coordinates","248460","2020-10-21","18:00:00",""
"4134255","14.9183","0.0009","5.8648","0.0003","9.4829","0.0005","90","","90","","90","","829.69","0.08","423","2","423","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0539","0.0494","","","0.1422","0.1472","","","","","","1.008","","","","has coordinates","248461","2020-10-21","18:00:00",""
"4134256","5.6892","0.0001","7.0976","0.0001","11.5466","0.0003","76.351","0.002","82.677","0.002","84.635","0.002","448.411","0.016","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H16 Cl2 N2 -","- C5 H16 Cl2 N2 -","- C10 H32 Cl4 N4 -","2","1","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.032","0.0302","","","0.0857","0.0869","","","","","","1.007","","","","has coordinates","248462","2020-10-21","18:00:00",""
"4134257","8.8776","0.0002","19.7436","0.0004","13.4135","0.0003","90","","101.693","0.0006","90","","2302.27","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0347","0.0303","","","0.0744","0.0775","","","","","","1.042","","","","has coordinates","248494","2020-10-21","18:00:00",""
"4134258","6.6052","0.0002","26.8681","0.0008","13.2804","0.0004","90","","91.3013","0.0009","90","","2356.25","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0624","0.0428","","","0.0811","0.088","","","","","","1.047","","","","has coordinates","248495","2020-10-21","18:00:00",""
"4134259","9.9882","0.0003","16.7181","0.0004","14.9023","0.0004","90","","107.501","0.001","90","","2373.26","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0702","0.0672","","","0.154","0.1551","","","","","","1.338","","","","has coordinates,has disorder","248496","2020-10-21","18:00:00",""
"4134260","8.0539","0.0003","22.4096","0.0007","15.3897","0.0005","90","","95.711","0.0006","90","","2763.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl3 N3 O3 S2 -","- C28 H22 Cl3 N3 O3 S2 -","- C112 H88 Cl12 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0423","0.0368","","","0.088","0.0917","","","","","","1.029","","","","has coordinates,has disorder","248497","2020-10-21","18:00:00",""
"4134261","7.9993","0.0012","12.0989","0.0017","16.417","0.002","90","","90","","90","","1588.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C72 H112 O8 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.0689","0.0511","","","0.1093","0.1228","","","","","","1.031","","","","has coordinates","248498","2020-10-21","18:00:00",""
"4134262","32.471","0.01","6.632","0.002","16.071","0.006","90","","113.844","0.009","90","","3165.5","1.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H50 O7 -","- C34 H50 O7 -","- C136 H200 O28 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.1317","0.0611","","","0.1199","0.153","","","","","","1.044","","","","has coordinates,has disorder","248499","2020-10-21","18:00:00",""
"4134263","7.539","0.0001","10.9976","0.0002","15.373","0.0003","90","","97.424","0.001","90","","1263.9","0.04","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","2","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","1.34139","GaKα","","0.0305","0.0304","","","0.0836","0.0838","","","","","","0.975","","","","has coordinates","248500","2020-10-21","18:00:00",""
"4134264","14.1298","0.0016","38.475","0.004","38.518","0.004","90","","93.824","0.007","90","","20893","4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 Cl2 F6 S6 Sb -","- C53 H50 Cl2 F6 S6 Sb -","- C848 H800 Cl32 F96 S96 Sb16 -","16","4","","Fujiwara, Toshihiro; Muranaka, Atsuya; Nishinaga, Tohru; Aoyagi, Shinobu; Kobayashi, Nagao; Uchiyama, Masanobu; Otani, Hiroyuki; Iyoda, Masahiko","Preparation, Spectroscopic Characterization and Theoretical Study of a Three-Dimensional Conjugated 70 π-Electron Thiophene 6-mer Radical Cation π-Dimer","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13573","","","0.4139","synchrotron","","0.2195","0.1667","","","0.3627","0.3857","","","","","","1.83","","","","has coordinates","248501","2020-10-21","18:00:00",""
"4134265","8.585","0.003","9.649","0.003","10.848","0.004","99.192","0.019","101.842","0.019","99.459","0.017","849.9","0.5","170","2","170","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0401","0.0376","","","0.0955","0.0978","","","","","","1.033","","","","has coordinates","248532","2020-10-21","18:00:00",""
"4134266","11.1451","0.0004","23.6819","0.0006","6.64","0.0002","90","","93.201","0.001","90","","1749.81","0.09","170","2","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0627","0.0552","","","0.132","0.1388","","","","","","1.092","","","","has coordinates","248533","2020-10-21","18:00:00",""
"4134267","7.8133","0.0002","13.3461","0.0004","16.8714","0.0005","90","","90.194","0.001","90","","1759.29","0.09","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0553","0.0429","","","0.115","0.1255","","","","","","1.055","","","","has coordinates","248534","2020-10-21","18:00:00",""
"4134268","14.206","0.0012","10.1372","0.0006","14.5055","0.0013","90","","118.834","0.011","90","","1829.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0627","0.0465","","","0.1098","0.1223","","","","","","1.027","","","","has coordinates","248535","2020-10-21","18:00:00",""
"4134269","7.854","0.0011","6.7448","0.0009","9.7912","0.0014","90","","113.64","","90","","475.15","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0607","0.0547","","","0.1506","0.1545","","","","","","1.001","","","","has coordinates","248536","2020-10-21","18:00:00",""
"4134270","7.8558","0.0004","6.7422","0.0003","9.7844","0.0005","90","","113.669","0.003","90","","474.64","0.04","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0802","0.0737","","","0.1914","0.1968","","","","","","1.003","","","","has coordinates","248537","2020-10-21","18:00:00",""
"4134271","7.8873","0.001","18.012","0.002","6.7513","0.0008","90","","90","","90","","959.1","0.2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0432","0.039","","","0.1056","0.108","","","","","","1.089","","","","has coordinates","248538","2020-10-21","18:00:00",""
"4134272","7.9069","0.0005","18.0192","0.0012","6.7589","0.0004","90","","90","","90","","962.98","0.11","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0588","0.0401","","","0.0987","0.1049","","","","","","1.001","","","","has coordinates","248539","2020-10-21","18:00:00",""
"4134273","9.2974","0.0003","25.1758","0.0007","8.9611","0.0003","90","","90","","90","","2097.52","0.11","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0355","0.0351","","","0.0847","0.0849","","","","","","1.053","","","","has coordinates","248540","2020-10-21","18:00:00",""
"4134274","8.654","0.0004","18.8523","0.0011","8.0744","0.0004","90","","90","","90","","1317.32","0.12","308","2","308","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0949","0.091","","","0.2657","0.2688","","","","","","1.109","","","","has coordinates","248541","2020-10-21","18:00:00",""
"4134275","8.7441","0.0014","19.056","0.003","8.0199","0.0009","90","","90","","90","","1336.3","0.3","403","2","403","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1304","0.1049","","","0.2548","0.2796","","","","","","1.074","","","","has coordinates","248542","2020-10-21","18:00:00",""
"4134276","8.0887","0.001","10.4653","0.0014","14.9244","0.0019","90","","90","","90","","1263.4","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.2227","0.2091","","","0.5026","0.5216","","","","","","2.017","","","","has coordinates","248543","2020-10-21","18:00:00",""
"4134277","9.2541","0.0002","25.0703","0.0005","8.9483","0.0002","90","","90","","90","","2076.03","0.08","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0219","0.0214","","","0.0573","0.0575","","","","","","1.103","","","","has coordinates","248544","2020-10-21","18:00:00",""
"4134278","8.1202","0.0005","10.9804","0.0005","14.3598","0.0007","90","","90","","90","","1280.36","0.12","300","2","300","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H11 F I3 N Pb -","- C5 H11 F I3 N Pb -","- C20 H44 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0588","0.0438","","","0.1003","0.1066","","","","","","0.997","","","","has coordinates","248545","2020-10-21","18:00:00",""
"4134279","8.7153","0.0003","18.443","0.0007","8.1281","0.0003","90","","90","","90","","1306.48","0.08","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C20 H48 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0345","0.029","","","0.0771","0.0794","","","","","","1.083","","","","has coordinates","248546","2020-10-21","18:00:00",""
"4134280","25.1842","0.0005","8.738","0.0002","32.9196","0.0007","90","","110.546","0.002","90","","6783.5","0.3","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H120 F24 I26 N12 Pb7 -","- C60 H120 F24 I26 N12 Pb7 -","- C120 H240 F48 I52 N24 Pb14 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1165","0.0936","","","0.2644","0.2828","","","","","","1.107","","","","has coordinates","248547","2020-10-21","18:00:00",""
"4134281","6.5653","0.0007","6.5653","0.0007","25.81","0.007","90","","90","","90","","1112.5","0.3","453","2","453","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C10 H0 F0 I4 N2 Pb -","- C10 I4 N2 Pb -","- C20 I8 N4 Pb2 -","2","0.0625","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1066","0.0594","","","0.1765","0.1999","","","","","","1.164","","","","has coordinates","248548","2020-10-21","18:00:00",""
"4134282","9.3456","0.0004","25.3587","0.0013","9.0113","0.0005","90","","90","","90","","2135.61","0.19","300","2","300","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0296","0.0283","","","0.0697","0.07","","","","","","1.094","","","","has coordinates","248549","2020-10-21","18:00:00",""
"4134283","15.5578","0.0001","18.7553","0.0001","43.8495","0.0003","90","","90","","90","","12794.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132.001 H176.002 Br2.0004 O13.0002 -","- C528.003 H704.006 Br8.0016 O52.0008 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0601","0.0536","","","0.1493","0.1554","","","","","","1.034","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134284","15.5918","0.0001","18.7392","0.0001","43.8114","0.0002","90","","90","","90","","12800.7","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0542","0.0506","","","0.1463","0.1504","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134285","15.5129","0.0004","18.7006","0.0006","44.5116","0.0019","90","","90","","90","","12912.8","0.8","100","0.01","100","0.01","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.1758","0.127","","","0.3005","0.3375","","","","","","1.068","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134286","15.6034","0.0001","18.747","0.0002","43.6221","0.0004","90","","90","","90","","12760.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C129.98 H171.96 Cl0.99 O12.5 -","- C129.98 H171.96 Cl0.99 O12.495 -","- C519.92 H687.84 Cl3.96 O49.98 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0837","0.0713","","","0.1983","0.2112","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134287","15.6135","0.0001","18.7515","0.0001","43.6512","0.0002","90","","90","","90","","12780","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0757","0.0718","","","0.2119","0.2171","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134288","43.9914","0.0003","18.7402","0.0001","15.6122","0.0001","90","","90","","90","","12870.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0933","0.0902","","","0.2706","0.2754","","","","","","1.286","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134289","43.9781","0.0005","18.7317","0.0002","15.60869","0.00016","90","","90","","90","","12858.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.089","0.0819","","","0.2392","0.2469","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134290","15.5569","0.0001","18.739","0.0001","43.9862","0.0003","90","","90","","90","","12822.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.76 H173.51 Cl1.38 O12.69 -","- C130.756 H173.512 Cl1.378 O12.689 -","- C523.024 H694.048 Cl5.512 O50.756 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0686","0.0625","","","0.1783","0.1853","","","","","","1.031","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134291","15.6058","0.0001","18.7366","0.0001","43.8709","0.0003","90","","90","","90","","12827.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0865","0.0821","","","0.2409","0.2481","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134292","15.6092","0.0001","18.736","0.0001","44.0628","0.0003","90","","90","","90","","12886.3","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0679","0.0653","","","0.1875","0.1912","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134293","15.5652","0.0001","18.7578","0.0001","43.9214","0.0003","90","","90","","90","","12823.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.65 H173.29 Br1.32 O12.66 -","- C130.644 H173.288 Br1.322 O12.661 -","- C522.576 H693.152 Br5.288 O50.644 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0963","0.089","","","0.256","0.2664","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134294","44.1945","0.0002","18.7815","0.0001","15.5563","0.0001","90","","90","","90","","12912.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.057","0.0528","","","0.1485","0.1522","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134295","15.4103","0.0001","18.6023","0.0001","44.9029","0.0002","90","","90","","90","","12872.2","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C134 H182 O13 -","- C134 H182 O13 -","- C536 H728 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0381","0.0366","","","0.0997","0.1011","","","","","","1.065","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134296","15.5483","0.0001","18.7836","0.0001","44.2547","0.0003","90","","90","","90","","12924.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0647","0.0515","","","0.1339","0.1432","","","","","","1.027","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134297","15.6234","0.0001","18.7658","0.0001","43.5913","0.0002","90","","90","","90","","12780.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.13 H172.26 Br1.07 O12.53 -","- C130.128 H172.256 Br1.064 O12.532 -","- C520.512 H689.024 Br4.256 O50.128 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.077","0.0733","","","0.2104","0.2149","","","","","","1.025","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134298","15.5193","0.0001","18.6716","0.0001","44.6387","0.0006","90","","90","","90","","12935","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0668","0.0525","","","0.1366","0.1473","","","","","","1.032","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134299","13.8728","0.0004","15.2034","0.0005","16.2677","0.0005","81.656","0.002","77.474","0.002","82.871","0.002","3298.68","0.18","90","2","90","2","","","","","","","","6","P -1","-P 1","2","SQPhMe2","","","- C70 H91 B N8 O4 Zn -","- C70 H91 B N8 O4 Zn -","- C140 H182 B2 N16 O8 Zn2 -","2","1","","Shultz, David A.; Kirk, Martin L.; Zhang, Jinyuan; Stasiw, Daniel Earl; Wang, Guangbin; Yang, Jing; Habel-Rodriguez, Diana; Stein, Benjamin W.; Sommer, Roger D.","Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00326","","","0.71073","MoKα","","0.0857","0.0675","","","0.151","0.1581","","","","","","1.177","","","","has coordinates,has disorder","248613","2020-10-21","18:00:00",""
"4134300","13.7356","0.0009","14.3196","0.0008","16.8518","0.0011","77.839","0.002","82.276","0.002","72.005","0.002","3073.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","607-Me2Ph","","","- C65 H79.86 B Cl1.14 N8 O4.43 Zn -","- C65 H79.8642 B Cl1.1358 N8 O4.4321 Zn -","- C130 H159.728 B2 Cl2.2716 N16 O8.8642 Zn2 -","2","1","","Shultz, David A.; Kirk, Martin L.; Zhang, Jinyuan; Stasiw, Daniel Earl; Wang, Guangbin; Yang, Jing; Habel-Rodriguez, Diana; Stein, Benjamin W.; Sommer, Roger D.","Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00326","","","0.71073","MoKα","","0.0624","0.0393","","","0.0913","0.1011","","","","","","1.022","","","","has coordinates,has disorder","248615","2020-10-21","18:00:00",""
"4134301","8.4436","0.0016","11.21","0.002","22.265","0.004","90","","99.687","0.003","90","","2077.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 Cu2 N8 -","- C42 H50 Cl4 Cu2 N8 -","- C84 H100 Cl8 Cu4 N16 -","2","0.5","","du Plessis, Marike; Nikolayenko, Varvara I.; Barbour, Leonard J.","Record-setting selectivity for p-xylene by an intrinsically porous 0D metallocycle.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11314","","","0.71073","MoKα","","0.1082","0.0568","","","0.1452","0.1616","","","","","","1.031","","","","has coordinates,has disorder","248616","2020-10-21","18:00:00",""
"4134302","8.4004","0.0017","10.908","0.002","22.526","0.005","90","","100.88","0.03","90","","2027","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 Cu2 N8 -","- C42 H50 Cl4 Cu2 N8 -","- C84 H100 Cl8 Cu4 N16 -","2","0.5","","du Plessis, Marike; Nikolayenko, Varvara I.; Barbour, Leonard J.","Record-setting selectivity for p-xylene by an intrinsically porous 0D metallocycle.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11314","","","0.71073","MoKα","","0.0478","0.035","","","0.0738","0.0781","","","","","","1.085","","","","has coordinates","248617","2020-10-21","18:00:00",""
"4134303","26.1739","0.0014","26.1739","0.0014","31.8805","0.0018","90","","90","","90","","21840","2","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C122.73 H157.5 Cl1.23 D103.13 N50.47 O88.88 Pd6 -","- C122.736 H157.508 Cl1.228 N50.4704 O88.8324 Pd6 -","- C490.944 H630.032 Cl4.912 N201.882 O355.33 Pd24 -","4","0.25","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0748","0.0523","","","0.1443","0.1654","","","","","","1.062","","","","has coordinates,has disorder","248652","2020-10-21","18:00:00",""
"4134304","12.9298","0.0006","4.9895","0.0002","20.3524","0.001","90","","93.496","0.003","90","","1310.56","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0498","0.0398","","","0.0961","0.1022","","","","","","1.018","","","","has coordinates","248653","2020-10-21","18:00:00",""
"4134305","26.0645","0.0009","26.0645","0.0009","31.6937","0.0013","90","","90","","90","","21531.4","1.4","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C120 H154 Cl N38 O10.97 Pd6 -","- C120 H154 Cl N38 O10.968 Pd6 -","- C480 H616 Cl4 N152 O43.872 Pd24 -","4","0.25","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","","0.71073","MoKα","","0.0634","0.045","","","0.1196","0.1346","","","","","","1.027","","","","has coordinates,has disorder","248654","2020-10-21","18:00:00",""
"4134306","24.0073","0.0012","24.0073","0.0012","15.9595","0.0008","90","","90","","90","","9198.3","0.8","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C95.6 H70.57 N4.51 O41.03 Zr6 -","- C95.584 H70.56 N4.512 O41.024 Zr6 -","- C191.168 H141.12 N9.024 O82.048 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0906","0.0644","","","0.1685","0.1804","","","","","","1.086","","","","has coordinates,has disorder","248655","2020-10-21","18:00:00",""
"4134307","9.8035","0.0006","11.4779","0.0007","12.3921","0.0009","98.095","0.002","96.276","0.002","108.756","0.002","1289.3","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C56 H48 N8 O20 -","4","2","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0716","0.0482","","","0.1126","0.1235","","","","","","1.041","","","","has coordinates","248656","2020-10-21","18:00:00",""
"4134308","12.2494","0.0006","14.8757","0.0008","12.9755","0.0007","90","","96.736","0.002","90","","2348.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 Co P2 -","- C24 H40 Co P2 -","- C96 H160 Co4 P8 -","4","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.076","0.0477","","","0.08","0.0888","","","","","","1.062","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134309","13.6609","0.0008","36.865","0.002","16.0767","0.0009","90","","90.141","0.002","90","","8096.3","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H54 Co O4 P2 -","- C44 H54 Co O4 P2 -","- C352 H432 Co8 O32 P16 -","8","4","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1374","0.0679","","","0.1066","0.1249","","","","","","1.022","","","","has coordinates,has disorder","248657","2020-10-21","18:00:00",""
"4134310","10.173","0.0005","17.9914","0.0009","20.5132","0.0011","90","","90","","90","","3754.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 Co O4 P2 -","- C36 H62 Co O4 P2 -","- C144 H248 Co4 O16 P8 -","4","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0728","0.0444","","","0.0804","0.0891","","","","","","1.05","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134311","10.4017","0.0004","16.9632","0.0005","33.2921","0.001","90","","90","","90","","5874.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 Co O4 P2 -","- C26 H46 Co O4 P2 -","- C208 H368 Co8 O32 P16 -","8","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0563","0.0416","","","0.0813","0.0958","","","","","","1.128","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134312","19.1159","0.0011","19.1159","0.0011","9.6917","0.0006","90","","90","","120","","3067","0.3","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C44 H60 Co O4 P2 -","- C44 H60 Co O4 P2 -","- C132 H180 Co3 O12 P6 -","3","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1075","0.0791","","","0.1304","0.142","","","","","","1.073","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134313","12.5544","0.001","15.5553","0.0011","8.5423","0.0006","90","","102.753","0.008","90","","1627.1","0.2","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","RM681","","","- C18 H14 I N O3 -","- C18 H14 I N O3 -","- C72 H56 I4 N4 O12 -","4","1","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0328","0.0272","","","0.0395","0.0421","","","","","","1.004","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134314","13.9493","0.0005","14.2632","0.0005","16.4732","0.0006","90","","101.861","0.001","90","","3207.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM686","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0264","0.0193","","","0.037","0.0409","","","","","","1.11","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134315","16.1941","0.0006","13.2477","0.0004","16.5076","0.0004","90","","90","","90","","3541.45","0.19","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1177","0.1274","","","","","","1.051","","","","has coordinates","248660","2020-10-21","18:00:00",""
"4134316","13.2848","0.0013","17.384","0.002","14.224","0.003","90","","91.954","0.005","90","","3283","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H23 B11 O2 -","- C8 H23 B11 O2 -","- C64 H184 B88 O16 -","8","2","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0832","0.0509","","","0.1152","0.1307","","","","","","1.015","","","","has coordinates","248661","2020-10-21","18:00:00",""
"4134317","13.1543","0.0005","16.221","0.0005","16.6984","0.0005","90","","90","","90","","3563","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.0522","0.0475","","","0.1303","0.136","","","","","","1.024","","","","has coordinates","248662","2020-10-21","18:00:00",""
"4134318","11.0668","0.0002","11.6755","0.0002","13.1623","0.0002","90","","91.092","0.001","90","","1700.4","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 B10 N -","- C11 H23 B10 N -","- C44 H92 B40 N4 -","4","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.048","0.0456","","","0.1213","0.1237","","","","","","1.099","","","","has coordinates","248663","2020-10-21","18:00:00",""
"4134319","16.4854","0.0006","9.7782","0.0004","19.2767","0.0007","90","","113.47","0.002","90","","2850.28","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N S -","- C9 H15 B10 N S -","- C72 H120 B80 N8 S8 -","8","2","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0563","0.0446","","","0.1159","0.1256","","","","","","1.028","","","","has coordinates","248664","2020-10-21","18:00:00",""
"4134320","7.5013","0.0004","8.6517","0.0004","4.2142","0.0002","90","","90","","90","","273.5","0.02","300","2","300","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Ba0.5 F2 H O Te0.5 -","- Ba0.5 F2 H O Te0.5 -","- Ba2 F8 H4 O4 Te2 -","4","1","","Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv","BaF<sub>2</sub>TeF<sub>2</sub>(OH)<sub>2</sub>: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00702","","","0.71073","MoKα","","0.0201","0.02","","","0.0521","0.0522","","","","","","1.011","","","","has coordinates","248665","2020-10-21","18:00:00",""
"4134321","7.5394","0.0002","14.4953","0.0005","26.6114","0.0008","90","","90","","90","","2908.25","0.15","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H37 N5 O5 -","- C31 H37 N5 O5 -","- C124 H148 N20 O20 -","4","1","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0598","0.0473","","","0.1142","0.1224","","","","","","1.028","","","","has coordinates","248666","2020-10-21","18:00:00",""
"4134322","27.5137","0.0008","13.8315","0.0005","7.3394","0.0002","90","","90","","90","","2793.05","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H33 N5 O5 -","- C31 H33 N5 O5 -","- C124 H132 N20 O20 -","4","0.5","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0788","0.0684","","","0.1617","0.1667","","","","","","1.212","","","","has coordinates,has disorder","248667","2020-10-21","18:00:00",""
"4134323","12.4621","0.0006","4.6443","0.0002","33.9076","0.0018","90","","96.663","0.002","90","","1949.24","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","0.5","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","0.71073","MoKα","","0.0607","0.0535","","","0.1277","0.1322","","","","","","1.106","","","","has coordinates","248668","2020-10-21","18:00:00",""
"4134324","11.0677","0.0004","16.9032","0.0006","18.9507","0.0007","91.236","0.002","91.614","0.002","98.585","0.002","3503","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Et(CAAC)BeTempo","","","- C71 H124 Be2 N5 O3 -","- C71 H124 Be2 N5 O3 -","- C142 H248 Be4 N10 O6 -","2","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","1.54178","CuKα","","0.0768","0.0591","","","0.1516","0.1669","","","","","","1.014","","","","has coordinates","248669","2020-10-21","18:00:00",""
"4134325","20.6387","0.0007","15.7843","0.0005","22.7926","0.0008","90","","99.54","0.001","90","","7322.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Be(I)BARF","","","- C76 H82 B Be F24.04 N2 -","- C76 H82 B Be F24.03 N2 -","- C304 H328 B4 Be4 F96.12 N8 -","4","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.1109","0.0637","","","0.1361","0.1596","","","","","","1.018","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134326","17.902","0.002","21.874","0.003","20.278","0.003","90","","111.118","0.004","90","","7407.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 B Be F24.01 N3 Na2 O5 -","- C67 H86 B Be F24.015 N3 Na2 O5 -","- C268 H344 B4 Be4 F96.06 N12 Na8 O20 -","4","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.1397","0.0626","","","0.1232","0.1522","","","","","","1.003","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134327","11.8464","0.0006","15.1384","0.0007","21.7904","0.001","90","","90.911","0.002","90","","3907.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H132 Be2 K2 N6 O6 -","- C75 H132 Be2 K2 N6 O6 -","- C150 H264 Be4 K4 N12 O12 -","2","0.5","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.0578","0.0392","","","0.0937","0.1039","","","","","","1.023","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134328","21.604","0.005","21.604","0.005","8.778","0.002","90","","90","","90","","4097","1.6","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C95 H134 Fe2 N6 -","- C95 H136 Fe2 N6 -","- C190 H272 Fe4 N12 -","2","0.25","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","0.71073","MoKα","","0.0583","0.0462","","","0.0988","0.1046","","","","","","1.052","","","","has coordinates","248849","2020-10-21","18:00:00",""
"4134329","12.8735","0.0008","13.1302","0.0009","24.7514","0.0016","90","","103.465","0.002","90","","4068.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H64.5 Fe N3 -","- C49 H64.524 Fe N3 -","- C196 H258.096 Fe4 N12 -","4","1","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","0.71073","MoKα","","0.0781","0.0516","","","0.1298","0.1451","","","","","","1.052","","","","has coordinates,has disorder","248849","2020-10-21","18:00:00",""
"4134330","15.707","0.005","11.802","0.005","21.158","0.005","90","","111.55","0.005","90","","3648","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H53 Fe N5 -","- C41 H53 Fe N5 -","- C164 H212 Fe4 N20 -","4","1","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","1.54184","CuKα","","0.0685","0.0572","","","0.1464","0.1522","","","","","","1.09","","","","has coordinates","248849","2020-10-21","18:00:00",""
"4134331","7.9528","0.0007","9.0316","0.0017","18.0753","0.0017","90","","94.632","0.003","90","","1294","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54184","CuKα","","0.0404","0.0396","","","0.1059","0.1068","","","","","","1.012","","","","has coordinates","248852","2020-10-21","18:00:00",""
"4134332","7.2535","0.0002","7.5984","0.0002","9.1524","0.0002","73.7","0.001","88.894","0.002","65.047","0.002","436.11","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","1","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54178","CuKα","","0.0411","0.038","","","0.1386","0.1427","","","","","","1.221","","","","has coordinates","248854","2020-10-21","18:00:00",""
"4134333","7.628","0.0003","10.0861","0.0003","10.2848","0.0003","74.527","0.002","74.067","0.002","76.732","0.002","722.8","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 N6 -","- C35 H20 N6 -","- C35 H20 N6 -","1","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54178","CuKα","","0.0514","0.0467","","","0.1793","0.1893","","","","","","1.019","","","","has coordinates,has disorder","248856","2020-10-21","18:00:00",""
"4134334","33.6744","0.0015","9.5767","0.0004","19.9789","0.0009","90","","94.5214","0.001","90","","6422.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 F6 N5 O9 P3 Ru -","- C25 H28 F6 N5 O9 P3 Ru -","- C200 H224 F48 N40 O72 P24 Ru8 -","8","1","","Vereshchuk, Nataliia; Matheu, Roc; Benet-Buchholz, Jordi; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Tessier, Arnaud; Gimbert-Suriñach, Carolina; Ertem, Mehmed Z.; Llobet, Antoni","Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11935","","","0.71073","MoKα","","0.048","0.0324","","","0.0711","0.0857","","","","","","1.068","","","","has coordinates","248858","2020-10-21","18:00:00",""
"4134335","15.8725","0.001","17.094","0.001","17.9384","0.0011","63.2183","0.0012","67.7101","0.0015","71.53","0.0014","3957.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H39 Cs3 N5 O16.5 P2 Ru -","- C26 H39 Cs2.9997 N5 O16.5 P2 Ru -","- C104 H156 Cs11.9988 N20 O66 P8 Ru4 -","4","2","","Vereshchuk, Nataliia; Matheu, Roc; Benet-Buchholz, Jordi; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Tessier, Arnaud; Gimbert-Suriñach, Carolina; Ertem, Mehmed Z.; Llobet, Antoni","Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11935","","","0.71073","MoKα","","0.0624","0.0429","","","0.0971","0.1053","","","","","","1.043","","","","has coordinates,has disorder","248860","2020-10-21","18:00:00",""
"4134336","10.7907","0.0007","10.7907","0.0007","10.5055","0.0007","90","","90","","120","","1059.37","0.12","100","","100","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0295","0.0175","","","0.0314","0.0344","","","","","","1.062","","","","has coordinates","248862","2020-10-21","18:00:00",""
"4134337","10.8202","0.0006","10.8202","0.0006","10.5416","0.0006","90","","90","","120","","1068.83","0.1","290","","290","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0423","0.0195","","","0.0357","0.041","","","","","","1.083","","","","has coordinates","248863","2020-10-21","18:00:00",""
"4134338","5.8793","0.0003","19.4968","0.0009","15.2856","0.0007","90","","90","","90","","1752.15","0.14","290","","290","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ir8 K16.28 O30 -","- Ir8 K16.28 O30 -","- Ir16 K32.56 O60 -","2","0.125","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0296","0.0235","","","0.0554","0.0569","","","","","","1.184","","","","has coordinates","248864","2020-10-21","18:00:00",""
"4134339","10.3447","0.0004","11.486","0.0004","17.3882","0.0006","104.29","0.002","94.193","0.002","112.848","0.002","1811.71","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 F12 N9 P2 -","- C26 H27 F12 N9 P2 -","- C52 H54 F24 N18 P4 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","0.71073","MoKα","","0.0603","0.0516","","","0.1356","0.1422","","","","","","1.039","","","","has coordinates,has disorder","249081","2020-10-21","18:00:00",""
"4134340","10.4662","0.0005","11.0351","0.0005","17.4251","0.0008","74.161","0.0015","78.635","0.0015","65.16","0.001","1749.15","0.14","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 F24 N12 P4 -","- C72 H60 F24 N12 P4 -","- C72 H60 F24 N12 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0457","0.0454","","","0.119","0.1191","","","","","","1.0535","","","","has coordinates,has disorder","249082","2020-10-21","18:00:00",""
"4134341","16.1323","0.0005","11.4829","0.0004","30.2137","0.0009","90","","101.49","0.002","90","","5484.8","0.3","100","2","100.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 F18 N12 P3 -","- C40 H40 F18 N12 P3 -","- C160 H160 F72 N48 P12 -","4","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0444","0.0405","","","0.106","0.1091","","","","","","1.059","","","","has coordinates,has disorder","249083","2020-10-21","18:00:00",""
"4134342","10.4268","0.0005","11.1641","0.0005","17.3653","0.0008","74.541","0.003","80.014","0.003","63.639","0.002","1742.14","0.14","102","2","101.92","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H58 F24 N12 P4 -","- C68 H58 F24 N12 P4 -","- C68 H58 F24 N12 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","0.71073","MoKα","","0.0761","0.0609","","","0.1598","0.1699","","","","","","1.046","","","","has coordinates","249084","2020-10-21","18:00:00",""
"4134343","13.3898","0.0004","14.5809","0.0004","15.0625","0.0004","106.741","0.001","99.533","0.001","110.092","0.001","2527.68","0.13","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 F24 N9 P4 -","- C46 H39 F24 N9 P4 -","- C92 H78 F48 N18 P8 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0675","0.0607","","","0.1629","0.1704","","","","","","1.054","","","","has coordinates,has disorder","249085","2020-10-21","18:00:00",""
"4134344","7.8767","0.0006","9.0304","0.0008","14.5443","0.0012","75.627","0.004","82.233","0.004","82.011","0.004","986.95","0.14","100","2","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F12 N6 P2 -","- C14 H14 F12 N6 P2 -","- C28 H28 F24 N12 P4 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0282","0.0277","","","0.0711","0.0714","","","","","","1.056","","","","has coordinates","249086","2020-10-21","18:00:00",""
"4134345","10.8276","0.0008","13.2652","0.0009","13.6121","0.001","81.996","0.003","89.523","0.003","67.586","0.003","1787.7","0.2","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 F24 N16 P4 -","- C68 H56 F24 N16 P4 -","- C68 H56 F24 N16 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0523","0.0507","","","0.1388","0.1403","","","","","","1.069","","","","has coordinates","249087","2020-10-21","18:00:00",""
"4134346","17.462","0.0007","20.4049","0.0007","19.1126","0.0007","90","","90.954","0.002","90","","6809.1","0.4","100","2","100.05","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 F24 N19 P4 -","- C54 H53 F24 N19 P4 -","- C216 H212 F96 N76 P16 -","4","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0764","0.0628","","","0.1657","0.177","","","","","","1.045","","","","has coordinates","249088","2020-10-21","18:00:00",""
"4134347","10.8605","0.0004","13.1591","0.0005","13.4694","0.0005","81.307","0.002","87.8564","0.0018","67.7952","0.0017","1761.33","0.12","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 F24 N16 P4 -","- C64 H54 F24 N16 P4 -","- C64 H54 F24 N16 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0689","0.0644","","","0.1789","0.1839","","","","","","1.03","","","","has coordinates,has disorder","249089","2020-10-21","18:00:00",""
"4134348","8.0722","0.0004","11.6849","0.0005","19.3159","0.0009","90","","90","","90","","1821.93","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KMK-20190730","","","- C23 H21 B N2 O -","- C23 H21 B N2 O -","- C92 H84 B4 N8 O4 -","4","1","","Shirbhate, Mukesh Eknath; Kwon, Seongyeon; Song, Ayoung; Kim, Seungha; Kim, Dayeh; Huang, Haofei; Kim, Youngmee; Lee, Hanna; Kim, Sung-Jin; Baik, Mu-Hyun; Yoon, Juyoung; Kim, Kwan Mook","Optical and Fluorescent Dual Sensing of Aminoalcohols by in situ Generation of BODIPY-like Chromophore.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13232","","","0.71073","MoKα","","0.0643","0.041","","","0.0849","0.0958","","","","","","1.039","","","","has coordinates","249090","2020-10-21","18:00:00",""
"4134349","8.618","0.0003","8.9275","0.0003","15.835","0.0005","90","","95.723","0.002","90","","1212.23","0.07","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0781","0.0698","","","0.2005","0.2107","","","","","","1.033","","","","has coordinates","249140","2020-10-21","18:00:00",""
"4134350","9.1437","0.0002","8.6684","0.0002","28.5984","0.0005","90","","90","","90","","2266.74","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.0435","0.029","","","0.0523","0.0561","","","","","","1.048","","","","has coordinates","249141","2020-10-21","18:00:00",""
"4134351","8.6328","0.0002","8.9483","0.0002","15.9326","0.0004","90","","95.5588","0.0012","90","","1224.99","0.05","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0631","0.0583","","","0.1523","0.1576","","","","","","1.022","","","","has coordinates","249142","2020-10-21","18:00:00",""
"4134352","8.7325","0.0002","9.2819","0.0002","27.724","0.0006","90","","97.7423","0.0009","90","","2226.66","0.09","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 F2 I4 N2 Pb -","- C14 H18 F2 I4 N2 Pb -","- C56 H72 F8 I16 N8 Pb4 -","4","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.093","0.0472","","","0.0903","0.1044","","","","","","0.996","","","","has coordinates","249143","2020-10-21","18:00:00",""
"4134353","10.73","0.002","11.645","0.003","17.343","0.003","92.598","0.007","95.124","0.007","109.713","0.008","2025.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18085-ScL3","","","- C39 H63 N3 P3 Sc -","- C39 H63 N3 P3 Sc -","- C78 H126 N6 P6 Sc2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0476","0.0344","","","0.0725","0.0775","","","","","","1.03","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134354","10.7947","0.0009","11.3362","0.0011","18.6897","0.0019","91.847","0.003","92.356","0.002","117.344","0.002","2026.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18085-YL3","","","- C39 H63 N3 P3 Y -","- C39 H63 N3 P3 Y -","- C78 H126 N6 P6 Y2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0544","0.0399","","","0.0917","0.0966","","","","","","1.073","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134355","10.4219","0.0003","11.1063","0.0003","19.6256","0.0006","83.95","0.001","82.092","0.001","65.724","0.001","2048.08","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","19027-La","","","- C39 H63 La N3 P3 -","- C39 H63 La N3 P3 -","- C78 H126 La2 N6 P6 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0245","0.0209","","","0.0459","0.0482","","","","","","1.052","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134356","13.807","0.005","13.807","0.005","25.285","0.009","90","","90","","120","","4174","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","18083-Ni(LiL)3","","","- C39 H63 Li3 N3 Ni P3 -","- C39 H63 Li3 N3 Ni P3 -","- C156 H252 Li12 N12 Ni4 P12 -","4","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0572","0.038","","","0.075","0.0814","","","","","","1.1","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134357","14.7276","0.0006","14.7276","0.0006","34.9107","0.0017","90","","90","","120","","6557.7","0.5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","17066-NiScL3","","","- C39 H63 N3 Ni P3 Sc -","- C39 H63 N3 Ni P3 Sc -","- C234 H378 N18 Ni6 P18 Sc6 -","6","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0493","0.0348","","","0.0794","0.086","","","","","","1.017","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134358","12.8967","0.0005","14.0478","0.0005","25.5457","0.0009","90","","95.017","0.001","90","","4610.4","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","17165-NiYL3","","","- C46 H71 N3 Ni P3 Y -","- C46 H71 N3 Ni P3 Y -","- C184 H284 N12 Ni4 P12 Y4 -","4","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.1066","0.0465","","","0.0753","0.0891","","","","","","1.005","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134359","20.8114","0.0005","20.8114","0.0005","20.8114","0.0005","90","","90","","90","","9013.7","0.4","125","2","125","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","19023-NiLa","","","- C39 H63 La N3 Ni P3 -","- C39 H63 La N3 Ni P3 -","- C312 H504 La8 N24 Ni8 P24 -","8","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0382","0.0301","","","0.0613","0.0657","","","","","","1.21","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134360","21.2562","0.0012","10.018","0.0006","39.979","0.002","90","","90.336","0.002","90","","8513.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","19023-NiLa_monoclinic","","","- C42.5 H67 La N3 Ni P3 -","- C42.5 H67 La N3 Ni P3 -","- C340 H536 La8 N24 Ni8 P24 -","8","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0327","0.0248","","","0.0455","0.0486","","","","","","1.118","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134361","12.6","0.008","18.048","0.007","19.885","0.007","65.539","0.006","88.58","0.02","79.34","0.02","4038","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","18007-NiGaL3","","","- C39 H63 Ga N3 Ni P3 -","- C39 H63 Ga N3 Ni P3 -","- C156 H252 Ga4 N12 Ni4 P12 -","4","2","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0557","0.0336","","","0.0738","0.0822","","","","","","1.015","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134362","19.7163","0.0005","11.118","0.0003","49.2039","0.0013","90","","98.286","0.001","90","","10673.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","18088-DPA-NiYL3","","","- C53 H73 N3 Ni P3 Y -","- C53 H73 N3 Ni P3 Y -","- C424 H584 N24 Ni8 P24 Y8 -","8","2","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0591","0.0426","","","0.0838","0.089","","","","","","1.069","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134363","10.9384","0.0004","12.4594","0.0004","20.0961","0.0007","93.422","0.001","92.566","0.001","114.571","0.001","2479.05","0.15","126","2","126","2","","","","","","","","7","P -1","-P 1","2","17034_NiYL3THF","","","- C43 H71 N3 Ni O P3 Y -","- C43 H71 N3 Ni O P3 Y -","- C86 H142 N6 Ni2 O2 P6 Y2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0465","0.0287","","","0.0626","0.0674","","","","","","1.024","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134364","12.0579","0.0003","6.4915","0.0002","13.4589","0.0004","90","","108.766","0.003","90","","997.48","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 Cl I N O -","- C7 H15 Cl I N O -","- C28 H60 Cl4 I4 N4 O4 -","4","1","","Prusinowski, Allen F.; Twumasi, Raymond K.; Wappes, Ethan A.; Nagib, David A.","<i>Vicinal</i>, Double C-H Functionalization of Alcohols via an Imidate Radical-Polar Crossover Cascade.","Journal of the American Chemical Society","2020","142","11","5429","5438","10.1021/jacs.0c01318","","","0.71073","MoKα","","0.0224","0.0211","","","0.0542","0.0548","","","","","","1.056","","","","has coordinates","250071","2020-10-21","18:00:00",""
"4134365","5.7822","0.0005","14.207","0.0011","26.733","0.002","90","","90","","90","","2196.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.093","0.0805","","","0.2093","0.227","","","","","","1.037","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134366","6.221","0.0004","18.4005","0.0011","20.3992","0.0015","90","","90","","90","","2335.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O7 -","- C24 H38 O7 -","- C96 H152 O28 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.1384","0.0667","","","0.1709","0.2302","","","","","","1.044","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134367","16.6714","0.0007","18.9511","0.0008","8.8285","0.0004","90","","96.389","0.002","90","","2772","0.2","112","1","112","1","","","","","","","see text","5","C 1 c 1","C -2yc","9","Lain33_nnBuDiPyNaph","N,N'-(n-butyl)-1,8-di(pyrid-4-ylium)naphtalene bis(hexafluorophosphate)","","- C26 H25 F12 N3 P2 -","- C26 H25 F12 N3 P2 -","- C104 H100 F48 N12 P8 -","4","1","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","1.54178","CuKα","","0.0275","0.0271","","","0.0724","0.0727","","","","","","1.134","","","","has coordinates","249205","2020-10-21","18:00:00",""
"4134368","27.9293","0.0013","10.4396","0.0005","18.2519","0.0008","90","","90","","90","","5321.7","0.4","113","1","113","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","","- C24 H23 F12 N3 P2 -","- C24 H23 F12 N3 P2 -","- C192 H184 F96 N24 P16 -","8","2","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","0.71073","MoKα","","0.0545","0.0471","","","0.1452","0.1538","","","","","","1.672","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134369","12.6866","0.0005","8.5079","0.0004","18.5222","0.0008","90","","99.9723","0.0008","90","","1969.01","0.15","113","1","113","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","1-phenyl-8-(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","1-phenyl-8-(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","","- C22 H18 F6 N P -","- C22 H18 F6 N P -","- C88 H72 F24 N4 P4 -","4","1","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","0.71073","MoKα","","0.0674","0.0532","","","0.1439","0.1593","","","","","","1.262","","","","has coordinates","249207","2020-10-21","18:00:00",""
"4134370","11.02997","0.00009","5.8365","0.00006","21.1485","0.0002","90","","92.4068","0.0008","90","","1360.26","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Ociepa, Micha; Wierzba, Aleksandra J.; Turkowska, Joanna; Gryko, Dorota","Polarity-Reversal Strategy for Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00245","","","1.54184","","","0.0323","0.0315","","","","0.0836","","","","","","1.0347","","","","has coordinates","249208","2020-10-21","18:00:00",""
"4134371","9.5732","0.0002","12.8414","0.0003","13.5828","0.0002","95.53","0.002","105.779","0.002","100.114","0.002","1563.48","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","1","1","","Ociepa, Micha; Wierzba, Aleksandra J.; Turkowska, Joanna; Gryko, Dorota","Polarity-Reversal Strategy for Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00245","","","0.71073","MoKα","","0.0343","0.0315","","","0.0716","0.0734","","","","","","1.019","","","","has coordinates","249209","2020-10-21","18:00:00",""
"4134372","13.2381","0.0011","13.2381","0.0011","4.0646","0.0003","90","","90","","90","","712.31","0.1","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0872","0.0653","","","0.1351","0.1435","","","","","","1.232","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134373","13.2692","0.0007","13.2692","0.0007","4.0748","0.0003","90","","90","","90","","717.46","0.08","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0549","0.0468","","","0.1173","0.1237","","","","","","1.079","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134374","13.2026","0.0012","13.2026","0.0012","4.0499","0.0003","90","","90","","90","","705.93","0.1","100","2","100","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0717","0.0518","","","0.0941","0.1042","","","","","","1.124","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134375","12.723","0.003","12.723","0.003","25.81","0.007","90","","90","","120","","3618.2","1.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H50 Cu6 N6 O34.47 S8 -","- C12 H50 Cu6 N6 O34.474 S8 -","- C36 H150 Cu18 N18 O103.422 S24 -","3","0.166667","","Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.","Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star Structure: A Possible Quantum Spin Liquid Candidate.","Journal of the American Chemical Society","2020","142","11","5013","5016","10.1021/jacs.0c00901","","","0.71073","MoKα","","0.0288","0.0258","","","0.0686","0.0699","","","","","","1.223","","","","has coordinates,has disorder","250070","2020-10-21","18:00:00",""
"4134376","32.134","0.005","5.583","0.0004","20.509","0.003","90","","109.643","0.007","90","","3465.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Marek147 (Veeru)","","","- C18 H25 F O2 -","- C18 H25 F O2 -","- C144 H200 F8 O16 -","8","1","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.161","0.0827","","","0.1537","0.1804","","","","","","1.057","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134377","5.893","0.004","9.976","0.007","13.552","0.006","108.412","0.002","94.764","0.001","104.611","0.003","719.9","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Marek155b (Veeru)","","","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","1","0.5","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.0822","0.051","","","0.1196","0.1332","","","","","","1.017","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134378","8.8382","0.0007","15.3641","0.0016","28.9948","0.0019","92.772","0.006","97.63","0.003","96.14","0.004","3872.2","0.6","152","2","152.1","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","1","0.5","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1007","0.0838","","","0.197","0.2073","","","","","","1.071","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134379","8.939","0.0018","17.513","0.004","26.736","0.005","90","","97.91","0.03","90","","4145.7","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl4 Ge2 N4 -","- C41 H46 Cl4 Ge2 N4 -","- C164 H184 Cl16 Ge8 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.68879","synchrotron","","0.0738","0.0705","","","0.2508","0.2576","","","","","","1.017","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134380","9.0522","0.0006","12.8275","0.0009","25.9222","0.0019","85.175","0.003","82.476","0.003","78.104","0.003","2914.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Cl12 Ge N4 O4 -","- C55 H50 Cl12 Ge N4 O4 -","- C110 H100 Cl24 Ge2 N8 O8 -","2","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0658","0.053","","","0.1112","0.1174","","","","","","1.067","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134381","27.994","0.004","8.6238","0.0012","40.445","0.006","90","","109.698","0.011","90","","9193","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 F5 Ge N5 -","- C52 H52 F5 Ge N5 -","- C416 H416 F40 Ge8 N40 -","8","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1306","0.0593","","","0.106","0.1258","","","","","","1.011","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134382","11.1696","0.0006","18.5499","0.001","22.1637","0.0011","75.451","0.002","77.193","0.002","74.606","0.003","4226","0.4","150","2","150.02","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H51 Ge I N4 -","- C47 H51 Ge I N4 -","- C188 H204 Ge4 I4 N16 -","4","2","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0744","0.0532","","","0.1","0.1082","","","","","","1.152","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134383","13.9768","0.0002","14.7308","0.0003","22.7506","0.0004","90","","91.163","0.001","90","","4683.14","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 Ge N4 -","- C53 H58 Ge N4 -","- C212 H232 Ge4 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0547","0.0347","","","0.0814","0.09","","","","","","1.018","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134384","15.2401","0.0004","15.6758","0.0002","15.7321","0.0004","64.493","0.003","76.63","0.004","65.59","0.004","3082.38","0.17","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H180 Ce6 O40 -","- C96 H180 Ce6 O40 -","- C96 H180 Ce6 O40 -","1","0.5","","Shirase, Satoru; Tamaki, Sota; Shinohara, Koichi; Hirosawa, Keishi; Tsurugi, Hayato; Satoh, Tetsuya; Mashima, Kazushi","Cerium(IV) Carboxylate Photocatalyst for Catalytic Radical Formation from Carboxylic Acids: Decarboxylative Oxygenation of Aliphatic Carboxylic Acids and Lactonization of Aromatic Carboxylic Acids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12918","","","0.71075","MoKα","","0.0399","0.0365","","","0.1016","0.1033","","","","","","1.096","","","","has coordinates,has disorder","249295","2020-10-21","18:00:00",""
"4134385","19.931","0.002","5.9364","0.0007","27.721","0.003","90","","104.107","0.002","90","","3181","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br2 N O2 -","- C22 H25 Br2 N O2 -","- C132 H150 Br12 N6 O12 -","6","3","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.0609","0.0586","","","0.1215","0.1223","","","","","","1.196","","","","has coordinates","250079","2020-10-21","18:00:00",""
"4134386","15.8094","0.0012","9.1663","0.0006","18.1044","0.0011","90","","107.105","0.002","90","","2507.5","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N5 Ni O -","- C30 H29 N5 Ni O -","- C120 H116 N20 Ni4 O4 -","4","1","","Truesdell, Blaise L.; Hamby, Taylor B.; Sevov, Christo S.","General C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Cross-Electrophile Coupling Reactions Enabled by Overcharge Protection of Homogeneous Electrocatalysts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01475","","x-ray","0.71073","MoKα","","0.0798","0.0488","","","0.0992","0.1105","","","","","","1.057","","","","has coordinates,has disorder","249297","2020-10-21","18:00:00",""
"4134387","22.4784","0.0003","24.2398","0.0003","25.1777","0.0003","90","","90","","90","","13718.6","0.3","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C77 H67.5 N2.5 O4 Pr Si4 -","- C77 H67.5 N2.5 O4 Pr Si4 -","- C616 H540 N20 O32 Pr8 Si32 -","8","2","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","0.71073","MoKα","","0.0472","0.0406","","","0.1008","0.1075","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134388","13.1036","0.0008","14.9076","0.001","22.4578","0.0012","83.344","0.005","81.037","0.005","64.588","0.006","3908.2","0.5","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 K O7 Pr Si4 -","- C84 H84 K O7 Pr Si4 -","- C168 H168 K2 O14 Pr2 Si8 -","2","1","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.1321","0.1108","","","0.2981","0.3102","","","","","","1.133","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134389","25.6668","0.0003","15.04611","0.00014","33.6749","0.0003","90","","95.9196","0.0009","90","","12935.4","0.2","139.99","0.1","139.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C336 H792 Cl12 K12 O104 Pr8 Si40 -","4","0.5","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.0439","0.0433","","","0.1131","0.1136","","","","","","1.123","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134390","13.6969","0.0003","5.6945","0.0001","22.0831","0.0006","90","","93.3","0.001","90","","1719.56","0.07","163","2","163.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 I N -","- C19 H22 I N -","- C76 H88 I4 N4 -","4","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.018","0.0173","","","0.0422","0.0426","","","","","","1.109","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134391","8.8516","0.0012","9.0513","0.0012","13.0251","0.0018","92.455","0.004","108.753","0.004","115.373","0.004","872.7","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 I N -","- C19 H22 I N -","- C38 H44 I2 N2 -","2","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.0368","0.034","","","0.0909","0.0931","","","","","","1.047","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134392","35.2184","0.0004","33.427","0.0004","37.3137","0.0004","90","","95.8588","0.001","90","","43697.9","0.9","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C1448 H1638 B96 Cl16 F384 N194 O220 Pd48 -","2","0.5","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","1.54178","CuKα","","0.2005","0.0905","","","0.2412","0.3146","","","","","","0.979","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134393","10.02","0.002","11.554","0.002","16.035","0.003","74.125","0.003","84.067","0.003","85.833","0.003","1774.1","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","2","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1","0.0678","","","0.1853","0.2057","","","","","","1.053","","","","has coordinates","250083","2020-10-21","18:00:00",""
"4134394","40.908","0.011","40.908","0.011","28.479","0.008","90","","90","","90","","47659","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C713.58 H804.32 N114.89 O350.35 Pd24 -","- C713.576 H804.32 N114.888 O350.346 Pd23.992 -","- C1427.15 H1608.64 N229.776 O700.693 Pd47.984 -","2","0.125","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1422","0.0858","","","0.2218","0.2719","","","","","","1.013","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134395","9.2394","0.0013","16.054","0.002","13.4313","0.0018","90","","104.686","0.009","90","","1927.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 B N O3 -","- C17 H36 B N O3 -","- C68 H144 B4 N4 O12 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.1097","0.0548","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates","250076","2020-10-21","18:00:00",""
"4134396","16.8872","0.0012","9.0985","0.0006","14.5635","0.001","90","","102.237","0.001","90","","2186.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B Cl0.74 I0.26 N O2 -","- C20 H33 B Cl0.7435 I0.2565 N O2 -","- C80 H132 B4 Cl2.974 I1.026 N4 O8 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.0556","0.0366","","","0.0828","0.0902","","","","","","1.028","","","","has coordinates,has disorder","250076","2020-10-21","18:00:00",""
"4134397","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134398","9.0845","0.00013","26.7256","0.0004","10.28003","0.00015","90","","94.911","0.0013","90","","2486.71","0.06","102","4","102","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N O2 Rh S -","- C27 H34 N O2 Rh S -","- C108 H136 N4 O8 Rh4 S4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0334","0.0269","","","0.0666","0.0689","","","","","","1.035","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134399","7.2611","0.0002","14.6975","0.0003","18.0948","0.0005","90","","95.564","0.002","90","","1921.98","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 O2 Rh -","- C22 H29 O2 Rh -","- C88 H116 O8 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0371","0.028","","","0.0624","0.0649","","","","","","1.049","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134400","6.4403","0.0007","17.4163","0.0019","16.7694","0.0018","90","","92.659","0.0015","90","","1878.9","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](AsF6)0.50(SbF6)0.50","","","- C14 H22 As0.5 Au F6 N2 Sb0.5 -","- C14 H22 As0.534 Au F6 N2 Sb0.466 -","- C56 H88 As2.136 Au4 F24 N8 Sb1.864 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0245","0.0185","","","0.0392","0.0416","","","","","","1.031","","","","has coordinates,has disorder","249360","2020-10-21","18:00:00",""
"4134401","6.3789","0.0007","17.039","0.002","16.73","0.002","90","","92.689","0.004","90","","1816.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.24 Au F6 N2 P0.76 -","- C14 H22 As0.2433 Au F6 N2 P0.7567 -","- C56 H88 As0.9732 Au4 F24 N8 P3.0268 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0304","0.0241","","","0.0613","0.0648","","","","","","1.132","","","","has coordinates,has disorder","249361","2020-10-21","18:00:00",""
"4134402","24.761","0.003","25.651","0.003","12.0706","0.0014","90","","97.011","0.002","90","","7609.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](SbF6)","","","- C14 H22 Au F6 N2 Sb -","- C14 H22 Au F6 N2 Sb -","- C224 H352 Au16 F96 N32 Sb16 -","16","4","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0805","0.0572","","","0.1296","0.1444","","","","","","1.107","","","","has coordinates,has disorder","249362","2020-10-21","18:00:00",""
"4134403","6.393","0.0006","17.1419","0.0016","16.7199","0.0015","90","","92.647","0.001","90","","1830.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.25(AsF6)0.75","","","- C14 H22 As0.75 Au F6 N2 P0.25 -","- C14 H22 As0.729 Au F6 N2 P0.271 -","- C56 H88 As2.916 Au4 F24 N8 P1.084 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0288","0.0241","","","0.0611","0.0632","","","","","","1.236","","","","has coordinates,has disorder","249363","2020-10-21","18:00:00",""
"4134404","6.3866","0.0007","17.0703","0.0017","16.7356","0.0016","90","","92.664","0.004","90","","1822.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(AsF6)0.50","","","- C14 H22 As0.5 Au F6 N2 P0.5 -","- C14 H22 As0.485 Au F6 N2 P0.515 -","- C56 H88 As1.94 Au4 F24 N8 P2.06 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0348","0.0278","","","0.0768","0.0821","","","","","","1.079","","","","has coordinates,has disorder","249364","2020-10-21","18:00:00",""
"4134405","6.3728","0.0009","17.043","0.002","16.739","0.002","90","","92.66","0.002","90","","1816.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.23 Au F6 N2 P0.77 -","- C14 H22 As0.233 Au F6 N2 P0.767 -","- C56 H88 As0.932 Au4 F24 N8 P3.068 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0659","0.0313","","","0.0561","0.0648","","","","","","1.027","","","","has coordinates,has disorder","249365","2020-10-21","18:00:00",""
"4134406","6.385","0.0004","17.0891","0.0012","16.7204","0.0011","90","","92.686","0.001","90","","1822.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(AsF6)0.50","","","- C14 H22 As0.5 Au F6 N2 P0.5 -","- C14 H22 As0.474 Au F6 N2 P0.526 -","- C56 H88 As1.896 Au4 F24 N8 P2.104 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0336","0.0274","","","0.0802","0.0842","","","","","","1.149","","","","has coordinates,has disorder","249366","2020-10-21","18:00:00",""
"4134407","6.398","0.0006","17.152","0.002","16.741","0.002","90","","92.747","0.004","90","","1835","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.25(AsF6)0.75","","","- C14 H22 As0.74 Au F6 N2 P0.26 -","- C14 H22 As0.735 Au F6 N2 P0.265 -","- C56 H88 As2.94 Au4 F24 N8 P1.06 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0271","0.0222","","","0.0574","0.0595","","","","","","1.182","","","","has coordinates,has disorder","249367","2020-10-21","18:00:00",""
"4134408","6.3774","0.0005","17.0398","0.0013","16.7367","0.0013","90","","92.728","0.002","90","","1816.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.24 Au F6 N2 P0.76 -","- C14 H22 As0.244 Au F6 N2 P0.756 -","- C56 H88 As0.976 Au4 F24 N8 P3.024 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.033","0.025","","","0.0661","0.0705","","","","","","1.127","","","","has coordinates,has disorder","249368","2020-10-21","18:00:00",""
"4134409","6.415","0.0007","17.2744","0.0019","16.7207","0.0018","90","","92.713","0.002","90","","1850.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(SbF6)0.50","","","- C14 H22 Au F6 N2 P0.5 Sb0.5 -","- C14 H22 Au F6 N2 P0.5084 Sb0.4916 -","- C56 H88 Au4 F24 N8 P2.0336 Sb1.9664 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0289","0.0229","","","0.0728","0.0768","","","","","","1.076","","","","has coordinates,has disorder","249369","2020-10-21","18:00:00",""
"4134410","23.5179","0.0018","41.767","0.004","43.084","0.004","84.628","0.005","89.02","0.005","79.679","0.005","41453","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H164 N24 O24 Se8 -","- C166 H163.75 N24 O24 Se8 -","- C1328 H1310 N192 O192 Se64 -","8","4","","Rahman, Faiz-Ur; Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Ballester, Pablo; Rebek, Jr, Julius; Yu, Yang","Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces.","Journal of the American Chemical Society","2020","142","12","5876","5883","10.1021/jacs.0c01290","","","1.34139","GaKα","","0.2449","0.1521","","","0.357","0.4054","","","","","","1.002","","","","has coordinates,has disorder","250086","2020-10-21","18:00:00",""
"4134411","10.5324","0.0003","10.3157","0.0003","18.7208","0.0005","90","","90","","90","","2034","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0607","0.0538","","","0.1271","0.1321","","","","","","1.111","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134412","60.281","0.012","4.917","0.001","14.155","0.003","90","","93.84","0.03","90","","4186.1","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C192 H120 F48 N8 O32 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.7","synchrotron","","0.0782","0.0688","","","0.2008","0.2105","","","","","","1.113","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134413","7.0148","0.0012","11.8848","0.0018","12.981","0.002","90","","90.395","0.005","90","","1082.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","2","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0722","0.052","","","0.1095","0.1182","","","","","","1.043","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134414","9.8755","0.0007","11.4069","0.0005","16.8121","0.001","90","","90","","90","","1893.86","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F5 O P S3 -","- C16 H16 F5 O P S3 -","- C64 H64 F20 O4 P4 S12 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0576","0.0594","","","","","","1.039","","","","has coordinates","249399","2020-10-21","18:00:00",""
"4134415","9.2918","0.0004","10.4856","0.0004","10.8907","0.0004","90","","94.561","0.001","90","","1057.72","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 O P S2 -","- C20 H31 O P S2 -","- C40 H62 O2 P2 S4 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.0274","0.0265","","","0.0644","0.0651","","","","","","1.035","","","","has coordinates","249400","2020-10-21","18:00:00",""
"4134416","9.6822","0.0002","8.5651","0.0001","10.6603","0.0002","90","","93.474","0.001","90","","882.42","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 O2 P -","- C23 H19 O2 P -","- C46 H38 O4 P2 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0249","0.0248","","","0.0667","0.0668","","","","","","1.031","","","","has coordinates","249401","2020-10-21","18:00:00",""
"4134417","8.3898","0.0001","11.6997","0.0001","14.1048","0.0002","90","","90","","90","","1384.5","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 O2 P S -","- C14 H15 O2 P S -","- C56 H60 O8 P4 S4 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0212","0.021","","","0.0584","0.0586","","","","","","1.108","","","","has coordinates","249402","2020-10-21","18:00:00",""
"4134418","10.5002","0.0001","10.5759","0.0001","15.1419","0.0002","90","","90","","90","","1681.49","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O P S2 -","- C16 H21 O P S2 -","- C64 H84 O4 P4 S8 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.02","0.0199","","","0.0531","0.0532","","","","","","1.073","","","","has coordinates","249403","2020-10-21","18:00:00",""
"4134419","11.5551","0.0019","12.353","0.003","13.32","0.003","85.773","0.016","69.85","0.01","81.738","0.013","1765.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 B F6 N3 -","- C37 H50 B F6 N3 -","- C74 H100 B2 F12 N6 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0591","0.0393","","","0.0903","0.0983","","","","","","1.028","","","","has coordinates","250077","2020-10-21","18:00:00",""
"4134420","12.566","0.003","8.2909","0.0008","20.179","0.004","90","","104.595","0.016","90","","2034.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B Br2 F6 N2 -","- C17 H19 B Br2 F6 N2 -","- C68 H76 B4 Br8 F24 N8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0206","0.0179","","","0.0436","0.0446","","","","","","1.025","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134421","24.208","0.009","16.72","0.008","20.187","0.007","90","","130.261","0.007","90","","6235","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 B F6 N O2 -","- C34 H38 B F6 N O2 -","- C272 H304 B8 F48 N8 O16 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.093","0.061","","","0.1459","0.1663","","","","","","1.027","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134422","8.849","0.003","10.927","0.004","10.94","0.004","114.541","0.018","102.1","0.03","97.48","0.03","912.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","1","0.5","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1323","0.0795","","","0.1767","0.2092","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134423","10.477","0.007","11.414","0.008","21.469","0.018","75.85","0.015","85.729","0.008","72.776","0.019","2378","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 B2 Br2 F12 N4 -","- C46 H50 B2 Br2 F12 N4 -","- C92 H100 B4 Br4 F24 N8 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1041","0.0518","","","0.096","0.1131","","","","","","1.014","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134424","8.465","0.0019","11.3157","0.0018","23.879","0.005","90","","90","","90","","2287.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 B F6 N2 O2 -","- C23 H23 B F6 N2 O2 -","- C92 H92 B4 F24 N8 O8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0302","0.0257","","","0.0638","0.0651","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134425","15.8864","0.0006","9.1579","0.0003","42.8822","0.0016","90","","99.783","0.001","90","","6148","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 B Cl2 F6 N -","- C31 H37 B Cl2 F6 N -","- C248 H296 B8 Cl16 F48 N8 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0671","0.035","","","0.0807","0.0878","","","","","","1.054","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134426","20.475","0.002","7.6092","0.0008","12.4167","0.0013","90","","124.988","0.002","90","","1584.9","0.3","130","","130","","","","","","","","Leonidas Dimitrios Syntrivanis","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O -","- C16 H25 N3 O -","- C64 H100 N12 O4 -","4","1","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.028","0.028","","","0.0739","0.074","","","","","","1.057","","","","has coordinates","250082","2020-10-21","18:00:00",""
"4134427","16.2888","0.0011","16.2888","0.0011","20.502","0.0015","90","","90","","90","","5439.7","0.7","130","","130","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C15 H26 O -","- C15 H26 O -","- C240 H416 O16 -","16","2","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.0553","0.0538","","","0.1403","0.1419","","","","","","1.064","","","","has coordinates,has disorder","250082","2020-10-21","18:00:00",""
"4134428","13.065","0.0004","29.3865","0.0009","11.9523","0.0004","90","","90","","90","","4588.9","0.3","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C84 H80 F24 Fe2 N20 P4 -","- C84 H80 F24 Fe2 N20 P4 -","- C168 H160 F48 Fe4 N40 P8 -","2","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.069","0.0652","","","0.1489","0.1511","","","","","","1.081","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134429","21.0032","0.0007","16.044","0.0005","21.1775","0.0007","90","","111.551","0.001","90","","6637.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl8 Cu2 N8 O12 -","- C66 H54 Cl8 Cu2 N8 O12 -","- C264 H216 Cl32 Cu8 N32 O48 -","4","1","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","0.71073","MoKα","","0.0801","0.0586","","","0.1474","0.1639","","","","","","1.059","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134430","24.5777","0.0008","25.8125","0.0008","35.2575","0.0011","90","","107.858","0.002","90","","21290.1","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C258 H226 B4 Cu4 N16 O8 -","- C258 H226 B4 Cu4 N16 O8 -","- C1032 H904 B16 Cu16 N64 O32 -","4","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0973","0.081","","","0.21","0.2241","","","","","","1.027","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134431","20.5323","0.0006","20.5323","0.0006","41.7019","0.0017","90","","90","","90","","17580.5","1","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C144 H108 B6 F24 N28 Zn4 -","- C144 H108 B6 F24 N28 Zn4 -","- C576 H432 B24 F96 N112 Zn16 -","4","0.25","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0708","0.069","","","0.2097","0.2122","","","","","","1.054","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134432","9.5366","0.0007","5.7321","0.0004","14.9406","0.0013","90","","91.557","0.003","90","","816.42","0.11","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Uwamori, Masahiro; Osada, Ryunosuke; Sugiyama, Ryoji; Nagatani, Kotaro; Nakada, Masahisa","Enantioselective Total Synthesis of Cotylenin A.","Journal of the American Chemical Society","2020","142","12","5556","5561","10.1021/jacs.0c01774","","","0.71075","MoKα","","","0.038","","","","0.0949","","","","","","1.104","","","","has coordinates","250085","2020-10-21","18:00:00",""
"4134433","13.025","0.002","17.695","0.003","17.75","0.003","90","","99.93","0.003","90","","4029.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Au N3 O -","- C40 H56 Au N3 O -","- C160 H224 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0259","0.0189","","","0.0457","0.0478","","","","","","1.041","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134434","10.1743","0.0014","17.827","0.003","18.078","0.003","90","","90.286","0.002","90","","3278.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Au N2 O2 -","- C36 H45 Au N2 O2 -","- C144 H180 Au4 N8 O8 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0297","0.0275","","","0.0732","0.075","","","","","","1.037","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134435","11.072","0.003","15.898","0.004","24.215","0.006","90.721","0.004","94.132","0.004","102.353","0.004","4151.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O -","- C48 H54 Au N3 O -","- C192 H216 Au4 N12 O4 -","4","2","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0828","0.0687","","","0.188","0.1955","","","","","","1.035","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134436","16.597","0.003","14.75","0.002","18.101","0.003","90","","100.144","0.003","90","","4362","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 Au N3 O -","- C44 H60 Au N3 O -","- C176 H240 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0354","0.0229","","","0.0483","0.0511","","","","","","1.008","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134437","11.018","0.007","14.238","0.009","14.308","0.009","113.992","0.008","98.581","0.011","95.042","0.009","2000","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Au N3 O2 -","- C48 H52 Au N3 O2 -","- C96 H104 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.1285","0.0967","","","0.2614","0.2894","","","","","","1.019","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134438","11.38","0.002","14.959","0.003","15.152","0.003","98.414","0.003","102.154","0.003","101.174","0.003","2426.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O2 -","- C48 H54 Au N3 O2 -","- C96 H108 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0173","0.0162","","","0.0408","0.0412","","","","","","1.009","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134439","11.264","0.0016","23.609","0.003","13.2861","0.0019","90","","99.42","0.002","90","","3485.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Au N3 O -","- C37 H52 Au N3 O -","- C148 H208 Au4 N12 O4 -","4","0.5","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0387","0.0322","","","0.0778","0.0811","","","","","","1.065","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134440","10.233","0.003","17.846","0.004","17.766","0.004","90","","93.463","0.004","90","","3238.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Au N2 O -","- C36 H47 Au N2 O -","- C144 H188 Au4 N8 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.027","0.0256","","","0.0711","0.0719","","","","","","1.049","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134441","7.78","0.0001","8.1061","0.0001","29.6389","0.0005","90","","90","","90","","1869.19","0.05","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N6 O10 -","- C14 H24 N6 O10 -","- C56 H96 N24 O40 -","4","1","","Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li","Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside.","Journal of the American Chemical Society","2020","142","13","5996","6000","10.1021/jacs.0c01778","","","1.34139","GaKα","","0.0288","0.0283","","","0.0747","0.0752","","","","","","1.063","","","","has coordinates","250057","2020-10-21","18:00:00",""
"4134442","26.798","0.0009","12.5063","0.0004","25.5113","0.0009","90","","119.089","0.001","90","","7471.5","0.4","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H88 Cl N O12 -","- C71 H88 Cl N O12 -","- C284 H352 Cl4 N4 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.125","0.1166","","","0.2949","0.2995","","","","","","0.983","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134443","26.5236","0.0008","12.5602","0.0004","25.6641","0.0011","90","","119.075","0.001","90","","7472.4","0.5","173.01","","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Cl2 N2 O12 -","- C76 H92 Cl2 N2 O12 -","- C304 H368 Cl8 N8 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.54178","CuKα","","0.1035","0.0935","","","0.2842","0.2947","","","","","","1.064","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134444","13.847","0.001","23.25","0.002","25.631","0.002","80.16","0.003","90.001","0.001","90.001","0.001","8130.3","1.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","0.71073","MoKα","","0.1437","0.0974","","","0.2912","0.3231","","","","","","1.098","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134445","13.3514","0.0003","13.3868","0.0003","13.8133","0.0003","117.91","0.001","100.421","0.001","94.45","0.001","2108","0.08","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.1226","0.1186","","","0.302","0.3048","","","","","","1.072","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134446","9.74368","0.00015","18.5497","0.0003","26.3997","0.0005","90","","90","","90","","4771.54","0.14","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H56 B3 N3 O5 -","- C55 H56 B3 N3 O5 -","- C220 H224 B12 N12 O20 -","4","1","","Suresh, Subeesh Madayanad; Duda, Eimantas; Hall, David; Yao, Zhen; Bagnich, Sergey; Slawin, Alexandra M. Z.; Bässler, Heinz; Beljonne, David; Buck, Manfred; Olivier, Yoann; Köhler, Anna; Zysman-Colman, Eli","A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluores-cence by Triplet Triplet Annihilation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13704","","","1.54184","CuKα","","0.0455","0.0391","","","0.1019","0.106","","","","","","1.024","","","","has coordinates","249501","2020-10-21","18:00:00",""
"4134447","12.3452","0.0004","12.739","0.0004","18.1766","0.0005","85.899","0.002","89.229","0.002","63.881","0.003","2559.55","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Li O2 P3 Ru -","- C62 H60 Li O2 P3 Ru -","- C124 H120 Li2 O4 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0483","0.04","","","0.096","0.1005","","","","","","1.015","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134448","14.8201","0.0003","16.2071","0.0004","17.1082","0.0003","94.116","0.002","93.148","0.002","112.751","0.002","3764.44","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H94 Li O8 P3 Ru -","- C88 H94 Li O8 P3 Ru -","- C176 H188 Li2 O16 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","","0.71073","MoKα","","0.0644","0.0427","","","0.0886","0.0982","","","","","","1.024","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134449","41.0356","0.0005","13.7554","0.0002","19.4148","0.0002","90","","99.045","0.001","90","","10822.6","0.2","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 Mg O2 P3 Ru -","- C63 H63 Mg O2 P3 Ru -","- C504 H504 Mg8 O16 P24 Ru8 -","8","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0414","0.0316","","","0.0715","0.0756","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134450","12.3478","0.0003","12.6936","0.0003","20.7422","0.0004","78.102","0.002","81.745","0.002","64.053","0.002","2855.31","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H71 O3 P3 Ru Zn -","- C67 H71 O3 P3 Ru Zn -","- C134 H142 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0305","0.0275","","","0.0682","0.0705","","","","","","1.036","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134451","12.3741","0.0004","12.7084","0.0004","20.744","0.0006","78.007","0.003","81.63","0.003","63.847","0.003","2858.8","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C133.3 H139.9 Cl0.7 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0525","0.0369","","","0.0734","0.0796","","","","","","1.041","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134452","11.2221","0.0003","13.0503","0.0004","16.6725","0.0005","85.312","0.003","73.891","0.003","72.861","0.003","2241.67","0.12","150","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 P3 Ru Zn -","- C55 H47 P3 Ru Zn -","- C110 H94 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0456","0.033","","","0.0676","0.0727","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134453","13.4442","0.0004","17.6572","0.0005","18.2564","0.0005","90.385","0.002","99.08","0.003","104.878","0.002","4131","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C88 H62 B F24 P3 Ru Zn2 -","- C88 H62 B F24 P3 Ru Zn2 -","- C176 H124 B2 F48 P6 Ru2 Zn4 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0627","0.0395","","","0.0837","0.0947","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134454","8.612","0.003","14.566","0.006","15.189","0.005","90","","90","","90","","1905.3","1.2","103","2","103","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H11 F10 N2 O0.5 Pd -","- C18 H11 F10 N2 O0.5 Pd -","- C72 H44 F40 N8 O2 Pd4 -","4","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.044","0.031","","","0.0734","0.0794","","","","","","1.074","","","","has coordinates,has disorder","250055","2020-10-21","18:00:00",""
"4134455","40.0791","0.0008","13.0995","0.0003","3.698","0.0001","90","","90","","90","","1941.51","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C96 H32 F48 -","8","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","1.54184","CuKα","","0.0321","0.0317","","","0.0808","0.0813","","","","","","1.056","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134456","9.1923","0.0003","8.9775","0.0002","9.5988","0.0003","90","","90.225","0.003","90","","792.12","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F4 N2 Pd -","- C16 H12 F4 N2 Pd -","- C32 H24 F8 N4 Pd2 -","2","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","0.71073","MoKα","","0.0307","0.0266","","","0.0574","0.0588","","","","","","1.044","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134457","10.994","0.003","8.897","0.004","20.967","0.003","90","","90","","90","","2050.9","1.1","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H2 F8 -","- C12 H2 F8 -","- C96 H16 F64 -","8","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.037","0.0319","","","0.0861","0.09","","","","","","1.041","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134458","9.55","0.0015","17.778","0.005","19.108","0.003","90","","90.415","0.007","90","","3244.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F6 N2 Pd -","- C16 H10 F6 N2 Pd -","- C128 H80 F48 N16 Pd8 -","8","2","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.0392","0.0294","","","0.0718","0.077","","","","","","1.063","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134459","9.6828","0.0008","18.9012","0.0019","20.5148","0.0015","90","","90","","90","","3754.5","0.6","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18.5 Br I N O -","- C18 H19 Br I N O -","- C144 H152 Br8 I8 N8 O8 -","8","2","","Tian, Junsong; Luo, Fan; Zhang, Qifeng; Liang, Yuchen; Li, Dongyang; Zhan, Yaling; Kong, Lichun; Wang, Zhi-Xiang; Peng, Bo","Asymmetric Iodonio-[3,3]-Sigmatropic Rearrangement to Access Chiral α-Aryl Carbonyl Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00783","","","0.71073","MoKα","","0.1067","0.0403","","","0.071","0.0886","","","","","","0.99","","","","has coordinates","249530","2020-10-21","18:00:00",""
"4134460","7.2242","0.0003","8.8678","0.0004","15.7698","0.0007","90","","90","","90","","1010.26","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0421","0.0397","","","0.0999","0.1013","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134461","7.1947","0.0002","8.718","0.0002","15.6452","0.0005","90","","90","","90","","981.32","0.05","93","2","93","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134462","7.1748","0.0004","9.1116","0.0005","17.2922","0.001","90","","90","","90","","1130.46","0.11","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Br Cl3 N Zn -","- C4 H11 Br Cl3 N Zn -","- C16 H44 Br4 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0712","0.0611","","","0.1633","0.1693","","","","","","1.043","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134463","7.174","0.0003","9.1468","0.0004","17.7179","0.0006","90","","90","","90","","1162.63","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 I N Zn -","- C4 H11 Cl3 I N Zn -","- C16 H44 Cl12 I4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0548","0.0512","","","0.1217","0.1234","","","","","","1.174","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134464","28.8906","0.001","7.1178","0.0002","10.2641","0.0003","90","","90","","90","","2110.68","0.11","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H22 Cl8 N2 Zn2 -","- C8 H22 Cl8 N2 Zn2 -","- C32 H88 Cl32 N8 Zn8 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0207","0.0198","","","0.0522","0.0525","","","","","","1","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134465","7.1698","0.0003","14.6397","0.0005","10.3561","0.0004","90","","90","","90","","1087.01","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H11 Cl4 N Zn -","- C4 H11 Cl4 N Zn -","- C16 H44 Cl16 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0498","0.0475","","","0.1322","0.1341","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134466","7.2453","0.0003","8.8632","0.0004","15.4226","0.0008","90","","90","","90","","990.39","0.08","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C4 H12 Cl3 N Zn -","- C4 H12 Cl3 N Zn -","- C16 H48 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0338","0.0333","","","0.0839","0.0842","","","","","","1.058","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134467","6.2036","0.0009","8.1137","0.0011","15.041","0.003","90","","96.162","0.01","90","","752.7","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0594","0.0415","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134468","8.353","0.0004","5.8263","0.0002","10.678","0.0004","90","","109.178","0.005","90","","490.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl S -","- C11 H9 Cl S -","- C22 H18 Cl2 S2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0489","0.0471","","","0.1216","0.1237","","","","","","1.082","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134469","23.636","0.005","7.7229","0.0016","6.3397","0.0011","90","","94.829","0.011","90","","1153.1","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C60 H52 Cl4 -","4","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0564","0.0424","","","0.0864","0.0888","","","","","","1.01","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134470","7.9411","0.0003","11.3394","0.0005","6.033","0.0003","90","","90","","90","","543.26","0.04","307","2","307","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0507","0.0428","","","0.095","0.0999","","","","","","1.21","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134471","7.9344","0.0003","11.3381","0.0004","6.0281","0.0002","90","","90","","90","","542.29","0.03","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0525","0.0418","","","0.0896","0.095","","","","","","1.14","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134472","7.9296","0.0003","11.3383","0.0004","6.0243","0.0003","90","","90","","90","","541.63","0.04","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0459","0.0351","","","0.0839","0.0904","","","","","","1.002","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134473","7.9292","0.0002","11.3401","0.0004","6.0235","0.0002","90","","90","","90","","541.62","0.03","252","2","252","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0409","0.0321","","","0.0713","0.076","","","","","","1.089","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134474","6.0598","0.0004","7.8788","0.0005","11.2274","0.0007","90","","92.234","0.002","90","","535.63","0.06","238","2","238","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1055","0.0947","","","0.2063","0.2118","","","","","","1.246","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134475","6.0581","0.0004","7.8735","0.0005","11.2215","0.0007","90","","92.254","0.003","90","","534.83","0.06","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1006","0.0886","","","0.1993","0.205","","","","","","1.249","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134476","6.0577","0.0004","7.8714","0.0005","11.2223","0.0007","90","","92.255","0.002","90","","534.69","0.06","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1077","0.097","","","0.207","0.212","","","","","","1.289","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134477","7.9345","0.0009","11.0298","0.0013","5.9653","0.0008","90","","90","","90","","522.06","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.45 K0.39 N1.61 O3 P -","- F H6.268 K0.433 N1.567 O3 P -","- F4 H25.072 K1.732 N6.268 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0518","0.0463","","","0.0979","0.1002","","","","","","1.139","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134478","7.9362","0.0009","11.2076","0.0011","6.0017","0.0007","90","","90","","90","","533.83","0.1","303","2","303","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.13 N1.47 O2.4 P0.8 -","- F0.8 H6.4 K0.128 N1.472 O2.4 P0.8 -","- F4 H32 K0.64 N7.36 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0425","0.0345","","","0.1044","0.1142","","","","","","0.903","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134479","7.9368","0.0004","11.2965","0.0006","6.0229","0.0003","90","","90","","90","","540","0.05","306","2","306","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0442","0.0405","","","0.0941","0.0957","","","","","","1.157","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134480","7.9319","0.0003","11.295","0.0004","6.019","0.0002","90","","90","","90","","539.25","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N2 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0414","","","0.0925","0.0938","","","","","","1.162","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134481","7.9299","0.0003","11.2968","0.0004","6.0169","0.0002","90","","90","","90","","539.01","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.03 N1.57 O2.4 P0.8 -","- F0.8 H6.4 K0.0304 N1.5696 O2.4 P0.8 -","- F4 H32 K0.152 N7.848 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0462","0.0416","","","0.1119","0.1172","","","","","","0.975","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134482","7.9285","0.0003","11.3009","0.0004","6.0152","0.0002","90","","90","","90","","538.96","0.03","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.02 N1.98 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0443","0.0396","","","0.1074","0.1123","","","","","","0.938","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134483","6.041","0.0002","7.874","0.0003","11.1841","0.0004","90","","92.26","0.001","90","","531.58","0.03","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.042 N1.958 O3 P -","- F4 H32 K0.168 N7.832 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0551","0.05","","","0.1422","0.1464","","","","","","1.216","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134484","6.0404","0.0002","7.8708","0.0002","11.1807","0.0003","90","","92.268","0.001","90","","531.15","0.03","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0396","","","0.0896","0.092","","","","","","1.164","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134485","6.0398","0.0002","7.8673","0.0003","11.1779","0.0004","90","","92.279","0.001","90","","530.72","0.03","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.94 O3 P -","- F H8 K0.055 N1.945 O3 P -","- F4 H32 K0.22 N7.78 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0487","0.0426","","","0.1234","0.1292","","","","","","1.088","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134486","6.0398","0.0002","7.8659","0.0003","11.1767","0.0004","90","","92.289","0.001","90","","530.56","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.95 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0516","0.048","","","0.1049","0.1063","","","","","","1.189","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134487","6.0395","0.0002","7.8631","0.0003","11.1748","0.0005","90","","92.309","0.001","90","","530.25","0.04","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0493","0.0455","","","0.1008","0.1026","","","","","","1.187","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134488","7.9297","0.0011","11.1111","0.0019","5.982","0.001","90","","90","","90","","527.06","0.15","304","2","304","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.29 N1.71 O3 P -","- F H8 K0.284 N1.716 O3 P -","- F4 H32 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0707","0.0601","","","0.1225","0.1267","","","","","","1.155","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134489","7.9247","0.0003","11.1134","0.0004","5.9812","0.0003","90","","90","","90","","526.77","0.04","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.263 N1.737 O3 P -","- F4 H32 K1.052 N6.948 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0661","0.0572","","","0.1063","0.1091","","","","","","1.115","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134490","7.9171","0.0003","11.109","0.0005","5.9766","0.0003","90","","90","","90","","525.65","0.04","220","2","220","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.3 N1.71 O3 P -","- F H8 K0.291 N1.709 O3 P -","- F4 H32 K1.164 N6.836 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0686","0.0551","","","0.1164","0.122","","","","","","1.113","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134491","7.9076","0.0003","11.0973","0.0005","5.9692","0.0003","90","","90","","90","","523.82","0.04","190","2","190","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.28 N1.72 O3 P -","- F4 H32 K1.12 N6.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0725","0.0622","","","0.1256","0.1298","","","","","","1.146","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134492","7.9057","0.0003","11.0964","0.0004","5.9676","0.0002","90","","90","","90","","523.51","0.03","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.89 K0.28 N1.72 O3 P -","- F H6.892 K0.277 N1.723 O3 P -","- F4 H27.568 K1.108 N6.892 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0733","0.0612","","","0.1123","0.1166","","","","","","1.151","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134493","7.9048","0.0003","11.0997","0.0005","5.9682","0.0002","90","","90","","90","","523.66","0.04","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.86 K0.28 N1.72 O3 P -","- F H6.864 K0.284 N1.716 O3 P -","- F4 H27.456 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0724","0.0604","","","0.1106","0.1148","","","","","","1.119","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134494","5.9813","0.0002","7.8672","0.0002","10.9965","0.0004","90","","91.916","0.002","90","","517.16","0.03","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.272 N1.728 O3 P -","- F4 H32 K1.088 N6.912 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0908","0.0755","","","0.1886","0.1959","","","","","","1.432","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134495","5.9756","0.0003","7.862","0.0003","10.9873","0.0005","90","","91.939","0.002","90","","515.89","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.267 N1.733 O3 P -","- F4 H32 K1.068 N6.932 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0941","0.0801","","","0.1509","0.1564","","","","","","1.223","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134496","5.9761","0.0003","7.8611","0.0003","10.987","0.0005","90","","91.941","0.002","90","","515.86","0.04","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.266 N1.734 O3 P -","- F4 H32 K1.064 N6.936 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0904","0.0779","","","0.1429","0.1472","","","","","","1.213","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134497","7.9303","0.0004","10.8767","0.0007","5.933","0.0003","90","","90","","90","","511.75","0.05","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H5.27 K0.68 N1.32 O3 P -","- F H5.272 K0.682 N1.318 O3 P -","- F4 H21.088 K2.728 N5.272 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0843","0.0768","","","0.1381","0.141","","","","","","1.26","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134498","7.9395","0.0013","11.3139","0.0019","6.0289","0.0009","90","","90","","90","","541.56","0.15","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0555","0.05","","","0.1312","0.1351","","","","","","0.99","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134499","7.9325","0.0002","11.313","0.0003","6.0242","0.0002","90","","90","","90","","540.61","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.02 N1.98 O3 P -","- F4 H32 K0.08 N7.92 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0391","0.0349","","","0.0825","0.0843","","","","","","1.124","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134500","7.9299","0.0002","11.3151","0.0003","6.0217","0.0002","90","","90","","90","","540.31","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.026 N1.974 O3 P -","- F4 H32 K0.104 N7.896 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0453","0.0416","","","0.1049","0.1067","","","","","","1.149","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134501","6.0443","0.0002","7.8705","0.0003","11.1958","0.0005","90","","92.271","0.002","90","","532.18","0.04","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0 N2 O3 P -","- F H8 K0.028 N1.972 O3 P -","- F4 H32 K0.112 N7.888 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0852","0.0779","","","0.1936","0.198","","","","","","1.605","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134502","6.0447","0.0002","7.8661","0.0003","11.1926","0.0005","90","","92.297","0.002","90","","531.76","0.04","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.012 N1.988 O3 P -","- F4 H32 K0.048 N7.952 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.077","0.0663","","","0.1378","0.1416","","","","","","1.252","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134503","6.0454","0.0002","7.8617","0.0003","11.189","0.0004","90","","92.319","0.001","90","","531.35","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0781","0.0731","","","0.188","0.1903","","","","","","1.57","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134504","6.0442","0.0002","7.8558","0.0003","11.1835","0.0004","90","","92.34","0.001","90","","530.57","0.03","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0751","0.0677","","","0.1748","0.1785","","","","","","1.466","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134505","6.043","0.0002","7.8506","0.0003","11.178","0.0004","90","","92.373","0.001","90","","529.84","0.03","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.97 O3 P -","- F H8 K0.036 N1.964 O3 P -","- F4 H32 K0.144 N7.856 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0688","0.064","","","0.1686","0.1707","","","","","","1.424","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134506","10.8379","0.0013","15.0057","0.0014","7.9077","0.001","90","","107.595","0.013","90","","1225.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 I3 N2 Pb -","- C2 H11 I3 N2 Pb -","- C8 H44 I12 N8 Pb4 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","","0.71073","MoKα","","0.1398","0.0726","","","0.1375","0.1844","","","","","","1.003","","","","has coordinates","250065","2020-10-21","18:00:00",""
"4134507","13.7722","0.0004","14.9103","0.0004","19.1625","0.0008","90","","69.247","0.004","90","","3679.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H40 Cl0.23 I8.77 N7 Pb2 -","- C7 H40 Cl0.232 I8.768 N7 Pb2 -","- C28 H160 Cl0.928 I35.072 N28 Pb8 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","x-ray","0.71073","MoKα","","0.103","0.0621","","","0.1389","0.1633","","","","","","1.039","","","","has coordinates,has disorder","250065","2020-10-21","18:00:00",""
"4134508","11.3793","0.0001","11.8884","0.0002","12.7447","0.0002","90","","90","","90","","1724.12","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0235","0.022","","","0.0457","0.0463","","","","","","1.045","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134509","11.3563","0.0005","11.8657","0.0005","12.7391","0.0006","90","","90","","90","","1716.6","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.013","0.0129","","","0.0314","0.0314","","","","","","1.192","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134510","8.4691","0.0006","13.3818","0.0009","28.188","0.002","90","","95.692","0.004","90","","3178.8","0.4","100","","100.04","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Rb -","- F3 Mo O2 Rb -","- F84 Mo28 O56 Rb28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.0266","0.026","","","0.06","0.0603","","","","","","1.225","","","","has coordinates,has disorder","250056","2020-10-21","18:00:00",""
"4134511","8.3492","0.0003","13.4494","0.0005","28.2717","0.001","90","","95.004","0.002","90","","3162.6","0.2","100","2","99.96","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Tl -","- F3 Mo O2 Tl -","- F84 Mo28 O56 Tl28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.066","0.056","","","0.131","0.1369","","","","","","1.018","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134512","8.4774","0.0001","13.3966","0.0001","28.4385","0.0003","90","","95.073","0.001","90","","3217.06","0.06","200.01","0.1","200.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo N O2 -","- F3 Mo N O2 -","- F84 Mo28 N28 O56 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0227","0.0207","","","0.0502","0.051","","","","","","1.116","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134513","7.4499","0.0002","10.1587","0.0003","19.0266","0.0005","90","","90","","90","","1439.96","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-172","","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C48 H80 N8 O8 S8 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0243","0.0231","","","0.0595","0.0601","","","","","","1.09","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134514","7.5385","0.0003","11.336","0.0004","17.2319","0.0006","90","","90","","90","","1472.58","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-173","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0227","0.0224","","","0.0582","0.0583","","","","","","1.096","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134515","26.4032","0.0009","17.2822","0.0009","15.4213","0.0006","90","","113.881","0.002","90","","6434.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 Au B Cl2 F4 N2 -","- C37 H22 Au B Cl2 F4 N2 -","- C296 H176 Au8 B8 Cl16 F32 N16 -","8","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","x-ray","0.71073","MoKα","","0.0461","0.0284","","","0.0644","0.0718","","","","","","1.034","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134516","32.117","0.015","12.282","0.006","8.293","0.004","90","","90","","90","","3271","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H20 Au2 Cl6 N2 O2 -","- C26 H20 Au2 Cl6 N2 O2 -","- C104 H80 Au8 Cl24 N8 O8 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0947","0.0686","","","0.1449","0.1566","","","","","","1.03","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134517","26.339","0.003","15.8633","0.0015","20.316","0.002","90","","125.911","0.002","90","","6875.1","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H42 Au4 Cl10 N4 -","- C73 H42 Au4 Cl10 N4 -","- C292 H168 Au16 Cl40 N16 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0989","0.0648","","","0.1464","0.1656","","","","","","1.05","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134518","14.22334","0.00008","14.22334","0.00008","37.3147","0.0002","90","","90","","120","","6537.53","0.06","100.01","0.15","100.01","0.15","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C84 H12 Cu6 F42 O18 -","- C84 H12 Cu6 F42 O18 -","- C252 H36 Cu18 F126 O54 -","3","0.0833333","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.1183","0.1171","","","0.32","0.3211","","","","","","1.115","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134519","13.5207","0.0002","18.2853","0.0003","18.8367","0.0002","107.685","0.001","108.685","0.001","95.644","0.001","4103.1","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","7F-12","","","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0958","0.0898","","","0.2559","0.2629","","","","","","1.046","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134520","17.717","0.0003","17.7627","0.0006","17.8073","0.0004","63.11","0.003","88.8395","0.0017","86.946","0.002","4990.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0623","0.0554","","","0.1647","0.17","","","","","","1.055","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134521","25.6664","0.0006","25.6664","0.0006","24.6267","0.0009","90","","90","","120","","14049.7","0.7","100","0.11","100","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C210 H162 Cl6 Cu24 O72 -","- C210 H162 Cl6 Cu24 O72 -","- C630 H486 Cl18 Cu72 O216 -","3","0.166667","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0598","0.0547","","","0.1495","0.1539","","","","","","1.07","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134522","10.3229","0.0003","10.4949","0.0003","12.5496","0.0003","103.081","0.0013","93.1613","0.0013","99.9907","0.0011","1297.9","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 B N4 -","- C29 H31 B N4 -","- C58 H62 B2 N8 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54178","CuKα","","0.0467","0.0446","","","0.1575","0.1599","","","","","","2.078","","","","has coordinates","249656","2020-10-21","18:00:00",""
"4134523","7.4387","0.0003","14.1565","0.0006","13.7009","0.0006","90","","101.908","0.002","90","","1411.74","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 B N3 O2 -","- C14 H16 B N3 O2 -","- C56 H64 B4 N12 O8 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54178","CuKα","","0.0454","0.0412","","","0.1366","0.1398","","","","","","1.687","","","","has coordinates","249657","2020-10-21","18:00:00",""
"4134524","8.2143","0.0006","11.985","0.0007","13.161","0.001","90","","90","","90","","1295.68","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 B N4 -","- C13 H15 B N4 -","- C52 H60 B4 N16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54184","CuKα","","0.0725","0.0657","","","0.1514","0.1576","","","","","","1.125","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4134525","42.4955","0.0011","42.4955","0.0011","42.4955","0.0011","90","","90","","90","","76741","3","150","2","150.01","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H114 N26 O22.33 P1.33 -","- C90 H114 N26 O22.3333 P1.33333 -","- C2160 H2735.99 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1561","0.1173","","","0.3064","0.3463","","","","","","1.003","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134526","42.271","0.006","42.271","","42.271","","90","","90","","90","","75531","11","150","2","150.02","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H110 N26 O22.33 P1.33 -","- C90 H110 N26 O22.3333 P1.33333 -","- C2160 H2640 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1427","0.108","","","0.2926","0.3237","","","","","","1.012","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134527","32.2178","0.0019","32.2178","0.0019","32.2178","0.0019","90","","90","","90","","33442","3","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H108 N24 O22.33 P1.33 -","- C86 H87.9999 N24 O22.3333 P1.33333 -","- C1032 H1056 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1445","0.1203","","","0.315","0.3444","","","","","","1.074","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134528","32.135","0.004","32.135","","32.135","","90","","90","","90","","33184","4","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H89 N24 O22.33 P1.33 -","- C86 H88.9998 N24 O22.3333 P1.33333 -","- C1032 H1068 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54184","CuKα","","0.0766","0.0725","","","0.2063","0.2144","","","","","","1.06","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134529","4.5525","0.0009","7.9999","0.0016","9.5565","0.0019","90","","99.77","0.03","90","","343","0.12","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs F O7 P2 Si -","- Cs F O7 P2 Si -","- Cs2 F2 O14 P4 Si2 -","2","1","","Ding, Qingran; Liu, Xiaomeng; Zhao, Sangen; Wang, Yusong; Li, Yanqiang; Li, Lina; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00060","","","0.71073","MoKα","","0.065","0.0495","","","0.1073","0.1163","","","","","","1.084","","","","has coordinates","249663","2020-10-21","18:00:00",""
"4134530","9.9447","0.0012","9.9447","0.0012","10.1091","0.0013","90","","90","","90","","999.8","0.2","299","2","299.45","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0286","0.0285","","","0.0639","0.0639","","","","","","1.187","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134531","10.005","0.004","10.007","0.004","10.196","0.004","90","","90","","89.991","0.008","1020.8","0.7","115","","115","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.1237","0.0747","","","0.1218","0.1314","","","","3.6","3.6","2.37","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134532","9.92","0.0006","9.9262","0.0006","10.1092","0.0006","90","","90","","89.9995","","995.43","0.1","120","","120","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.0749","0.0513","","","0.1085","0.1101","","","","3.32","3.32","2.45","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134533","9.92","0.0014","9.92","0.0014","10.14","0.002","90","","90","","90","","997.8","0.3","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 S -","- In8 Ir2 S -","- In32 Ir8 S4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0224","0.022","","","0.0463","0.0465","","","","","","1.162","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134534","10.124","0.008","10.124","0.008","10.291","0.009","90","","90","","90","","1054.8","1.5","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0383","0.0254","","","0.0472","0.0511","","","","","","1.081","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134535","11.6067","0.0001","26.8486","0.0003","8.9726","0.0001","90","","90","","90","","2796.07","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65.5 H61 Cl3 O2 -","- C65.5 H61 Cl3 O2 -","- C131 H122 Cl6 O4 -","2","0.5","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0556","0.0537","","","0.1504","0.1522","","","","","","1.067","","","","has coordinates","250061","2020-10-21","18:00:00",""
"4134536","8.7338","0.0001","13.7551","0.0002","14.4231","0.0002","90","","90","","90","","1732.71","0.04","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B F4 N -","- C17 H24 B F4 N -","- C68 H96 B4 F16 N4 -","4","1","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0419","0.0401","","","0.1056","0.1069","","","","","","1.042","","","","has coordinates,has disorder","250061","2020-10-21","18:00:00",""
"4134537","8.8378","0.0002","12.492","0.0003","16.4162","0.0003","76.737","0.002","78.709","0.002","79.504","0.002","1711.92","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 Ni O P2 -","- C38 H58 Ni O P2 -","- C76 H116 Ni2 O2 P4 -","2","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0411","0.0407","","","0.1111","0.1115","","","","","","1.062","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134538","13.1407","0.0002","18.4231","0.0004","16.9248","0.0003","90","","106.562","0.002","90","","3927.37","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 N Ni P2 -","- C40 H59 N Ni P2 -","- C160 H236 N4 Ni4 P8 -","4","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0915","0.0808","","","0.2179","0.2327","","","","","","1.05","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134539","11.806","0.003","3.8446","0.001","13.595","0.004","90","","113.794","0.008","90","","564.6","0.3","108","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-23","","","- C12 H6 Cl2 F2 N2 -","- C12 H6 Cl2 F2 N2 -","- C24 H12 Cl4 F4 N4 -","2","0.5","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0579","0.0514","","","0.108","0.1112","","","","","","1.225","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134540","8.14609","0.00018","8.27819","0.00016","32.932","0.0006","94.3451","0.0016","92.6148","0.0017","118.514","0.002","1937.28","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","621","","","- C12 H6 Cl4 N2 -","- C12 H6 Cl4 N2 -","- C72 H36 Cl24 N12 -","6","3","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0372","0.0318","","","0.0717","0.0754","","","","","","1.02","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134541","10.9223","0.0006","7.4039","0.0004","16.2847","0.0009","90","","107.709","0.006","90","","1254.5","0.13","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","621-cis","","","- C12 H6 Cl4 N2 -","- C12 H6 Cl4 N2 -","- C48 H24 Cl16 N8 -","4","1","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0541","0.0379","","","0.081","0.0913","","","","","","1.071","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134542","38.053","0.002","24.796","0.0014","37.323","0.002","90","","103.43","0.001","90","","34254","3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- In16 Mn4 S43 Sb6 -","- In16 Mn4 S43 Sb6 -","- In128 Mn32 S344 Sb48 -","8","1","","Liu, Yong; Zhang, Jiaxu; Han, Bing; Wang, Xiang; Wang, Zhiqiang; Xue, Chaozhuang; Bian, Guoqing; Hu, Dandan; Zhou, Rui; Li, Dong-Sheng; Wang, Zhenxing; Ouyang, Zhongwen; Li, Mingde; Wu, Tao","New Insights into Mn-Mn Coupling Interaction-Directed Photoluminescence Quenching Mechanism in Mn<sup>2+</sup>-Doped Semiconductors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00156","","","0.71073","MoKα","","0.0724","0.0446","","","0.1443","0.1698","","","","","","1.255","","","","has coordinates","249709","2020-10-21","18:00:00",""
"4134543","13.2136","0.0006","17.6293","0.0005","24.0942","0.0011","90","","102.685","0.004","90","","5475.7","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H53 Br Cl8 N6 Ni2 -","- C55 H53 Br Cl8 N6 Ni2 -","- C220 H212 Br4 Cl32 N24 Ni8 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0539","0.0393","","","0.0863","0.0913","","","","","","1.05","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134544","16.8007","0.0011","15.0508","0.0007","17.0678","0.001","90","","106.969","0.005","90","","4127.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 K N6 Ni2 -","- C51 H45 K N6 Ni2 -","- C204 H180 K4 N24 Ni8 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.1253","0.0643","","","0.1002","0.1155","","","","","","1.009","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134545","15.3579","0.0003","17.4833","0.0002","27.2615","0.0005","90","","95.238","0.001","90","","7289.3","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H99 K N8 Ni2 O8 -","- C77 H99 K N8 Ni2 O8 -","- C308 H396 K4 N32 Ni8 O32 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0495","0.034","","","0.0828","0.0906","","","","","","1.051","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134546","14.29","0.0003","18.501","0.0004","19.5019","0.0005","80.688","0.002","82.043","0.002","81.867","0.002","5001.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H61.25 N6 Na Ni2 O2 -","- C59 H61.25 N6 Na Ni2 O2 -","- C236 H245 N24 Na4 Ni8 O8 -","4","2","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0432","0.0327","","","0.0809","0.0873","","","","","","1.036","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134547","12.7288","0.0007","15.5","0.0007","17.7274","0.0009","112.663","0.004","92.988","0.004","99.314","0.004","3159.7","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.25 H80 N6 Na Ni2 O3.75 -","- C67.25 H80 N6 Na Ni2 O3.75 -","- C134.5 H160 N12 Na2 Ni4 O7.5 -","2","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0903","0.049","","","0.1066","0.1192","","","","","","0.957","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134548","30.8579","0.0005","14.7943","0.0003","25.3281","0.0004","90","","95.187","0.001","90","","11515.5","0.4","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H71 K N6 Ni2 O3.5 -","- C68 H71 K N6 Ni2 O3.5 -","- C544 H568 K8 N48 Ni16 O28 -","8","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.046","0.0366","","","0.0954","0.1014","","","","","","1.063","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134549","27.7413","0.0005","10.6411","0.0002","20.9606","0.0004","90","","108.051","0.001","90","","5882.98","0.19","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C57 H55 N6 Na0.5 Ni2 O1.5 -","- C57 H55 N6 Na0.5 Ni2 O1.5 -","- C228 H220 N24 Na2 Ni8 O6 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0462","0.0336","","","0.0827","0.0881","","","","","","1.031","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134550","6.0928","0.0003","9.2223","0.0005","35.161","0.002","90","","91.673","0.002","90","","1974.84","0.18","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MRM-2-013","MRM-2-013","","- C18 H16 F6 O7 S -","- C18 H16 F6 O7 S -","- C72 H64 F24 O28 S4 -","4","1","","Dibrell, Sara E.; Maser, Michael R.; Reisman, Sarah E.","SeO<sub>2</sub>-Mediated Oxidative Transposition of Pauson-Khand Products.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13818","","","0.71073","MoKα","","0.0357","0.0326","","","0.0807","0.082","","","","","","1.09","","","","has coordinates","249740","2020-10-21","18:00:00",""
"4134551","10.2573","0.0003","11.517","0.0003","14.0879","0.0003","90","","106.2","0.003","90","","1598.17","0.08","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen","Asymmetric Total Synthesis of (+)-Waihoensene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02143","","x-ray","1.54184","CuKα","","0.0498","0.0471","","","0.1249","0.1283","","","","","","1.028","","","","has coordinates","249741","2020-10-21","18:00:00",""
"4134552","7.3618","0.0001","12.5083","0.0002","27.8448","0.0004","90","","90","","90","","2564.05","0.07","108","12","108","12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C128 H160 O16 -","8","2","","Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen","Asymmetric Total Synthesis of (+)-Waihoensene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02143","","x-ray","1.54184","CuKα","","0.0453","0.044","","","0.1161","0.1173","","","","","","1.073","","","","has coordinates","249742","2020-10-21","18:00:00",""
"4134553","12.8029","0.0003","13.1575","0.0002","16.201","0.0004","79.9877","0.0016","75.692","0.002","62.241","0.002","2334.63","0.1","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38.5 F12 N6 O1.25 P2 Ru -","- C41 H38.5 F12 N6 O1.25 P2 Ru -","- C82 H77 F24 N12 O2.5 P4 Ru2 -","2","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","1.54184","CuKα","","0.0523","0.0491","","","0.1495","0.1562","","","","","","1.089","","","","has coordinates,has disorder","249743","2020-10-21","18:00:00",""
"4134554","11.4219","0.0003","12.376","0.0003","15.0464","0.0004","90.834","0.002","98.147","0.002","101.02","0.002","2064.73","0.09","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Br2 F12 N8 P2 Ru -","- C38 H28 Br2 F12 N8 P2 Ru -","- C76 H56 Br4 F24 N16 P4 Ru2 -","2","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","0.71073","MoKα","","0.0488","0.0398","","","0.102","0.1096","","","","","","1.031","","","","has coordinates,has disorder","249744","2020-10-21","18:00:00",""
"4134555","12.4678","0.0003","27.4167","0.0004","13.2004","0.0003","90","","118.159","0.003","90","","3978.18","0.18","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F12 N8 P2 Ru -","- C36 H27 F12 N7 P2 Ru -","- C144 H108 F48 N28 P8 Ru4 -","4","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","1.54184","CuKα","","0.0782","0.0756","","","0.1785","0.1799","","","","","","1.15","","","","has coordinates","249745","2020-10-21","18:00:00",""
"4134556","8.0988","0.0004","27.1807","0.0012","20.3015","0.0009","90","","97.604","0.004","90","","4429.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H16 F32 N6.67 O5.33 -","- C62 H16 F32 N6.66667 O5.33333 -","- C186 H48 F96 N20 O16 -","3","0.75","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","1.54184","CuKα","","0.1094","0.0822","","","0.3082","0.3229","","","","","","1.146","","","","has coordinates","249746","2020-10-21","18:00:00",""
"4134557","14.376","0.0004","15.2336","0.0004","15.5883","0.0004","69.269","0.002","80.43","0.002","89.657","0.002","3143.17","0.15","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C58 H35 Co F24 N4 O14 P3 Yb -","- C58 H31 Co F24 N4 O14 P3 Yb -","- C116 H62 Co2 F48 N8 O28 P6 Yb2 -","2","1","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.0646","0.0492","","","0.1077","0.1193","","","","","","1.049","","","","has coordinates","249747","2020-10-21","18:00:00",""
"4134558","16.3562","0.0006","10.8491","0.0004","30.2782","0.001","90","","90.232","0.003","90","","5372.8","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H12 Cl9 F24 N5 O4 -","- C48 H12 Cl9 F24 N5 O4 -","- C192 H48 Cl36 F96 N20 O16 -","4","1","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.0796","0.0501","","","0.1042","0.1148","","","","","","1.018","","","","has coordinates","249748","2020-10-21","18:00:00",""
"4134559","16.2705","0.0002","16.7757","0.0004","28.5174","0.0007","79.887","0.002","77.355","0.002","70.447","0.002","7112.6","0.3","179.98","0.11","179.98","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C56 H30 Co F24 N5 O13 P3 Yb -","- C56 H30 Co F24 N5 O13 P3 Yb -","- C224 H120 Co4 F96 N20 O52 P12 Yb4 -","4","2","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.1119","0.0734","","","0.1521","0.1644","","","","","","1.078","","","","has coordinates,has disorder","249749","2020-10-21","18:00:00",""
"4134560","16.2885","0.0012","25.4252","0.0016","9.9795","0.0006","90","","92.951","0.006","90","","4127.4","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.055","0.0339","","","0.0306","0.0321","","","","1.48","1.48","1.34","","","","has coordinates","249750","2020-10-21","18:00:00",""
"4134561","25.696","0.005","10.153","0.002","16.283","0.003","90","","90.036","","90","","4248.1","1.4","298","","298","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C6 H10 I6 N2 Pb2 -","- C6 H10 I6 N2 Pb2 -","- C48 H80 I48 N16 Pb16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0506","0.0393","","","0.0401","0.0411","","","","2.25","2.25","2.12","","","","has coordinates","249751","2020-10-21","18:00:00",""
"4134562","16.3185","0.0012","25.4637","0.0016","10.0068","0.0006","90","","92.49","0.006","90","","4154.2","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0741","0.0557","","","0.0939","0.0952","","","","4.84","4.84","4.34","","","","has coordinates","249752","2020-10-21","18:00:00",""
"4134563","16.2208","0.0012","25.4537","0.0016","10.0307","0.0006","90","","91.466","0.006","90","","4140.1","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0979","0.0705","","","0.0688","0.0699","","","","3.53","3.53","3.14","","","","has coordinates","249753","2020-10-21","18:00:00",""
"4134564","16.3397","0.0012","25.552","0.0016","10.0204","0.0006","90","","93.13","0.006","90","","4177.4","0.5","293","","293","","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb0.91 Sn1.09 -","- C6 H10 I6 N2 Pb0.9045 Sn1.0955 -","- C48 H80 I48 N16 Pb7.236 Sn8.764 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0831","0.0523","","","0.071","0.0728","","","","3.31","3.31","2.87","","","","has coordinates","249754","2020-10-21","18:00:00",""
"4134565","16.3698","0.0012","25.6376","0.0016","10.0435","0.0006","90","","93.198","0.006","90","","4208.5","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb2 -","- C6 H10 I6 N2 Pb2 -","- C48 H80 I48 N16 Pb16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0598","0.0542","","","0.0595","0.0598","","","","3.53","3.53","3.35","","","","has coordinates","249755","2020-10-21","18:00:00",""
"4134566","13.094","0.0019","13.229","0.002","21.32","0.003","79.228","0.004","80.542","0.004","66.249","0.004","3304.4","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N15 O6 -","- C52 H70 B3 F12 Fe2 N15 O6 -","- C104 H140 B6 F24 Fe4 N30 O12 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.2176","0.0967","","","0.2368","0.3057","","","","","","1.01","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134567","11.489","0.004","16.691","0.006","17.688","0.006","85.673","0.005","84.727","0.005","69.969","0.004","3169.7","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H78 B3 F12 Fe2 N14 O6 -","- C55 H78 B3 F12 Fe2 N14 O6 -","- C110 H156 B6 F24 Fe4 N28 O12 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.1519","0.0786","","","0.1833","0.2247","","","","","","1.024","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134568","29.597","0.003","14.1253","0.0012","29.688","0.003","90","","90","","90","","12412","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C104 H142 B4 F16 Fe4 N26 O10 -","- C104 H142 B4 F16 Fe4 N26 O10 -","- C416 H568 B16 F64 Fe16 N104 O40 -","4","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.085","0.0596","","","0.1446","0.1645","","","","","","1.023","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134569","18.424","0.006","18.6","0.006","21.629","0.006","113.567","0.007","90.687","0.008","116.641","0.008","5905","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H100 B4 F16 Fe4 N20 O5 -","- C86 H100 B4 F16 Fe4 N20 O5 -","- C172 H200 B8 F32 Fe8 N40 O10 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.2657","0.1606","","","0.409","0.475","","","","","","1.317","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134570","30.4981","0.0011","30.4981","0.0011","11.5146","0.0004","90","","90","","120","","9275.2","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.67 H26.67 Cu4 I4 N6 O0.67 P2 -","- C30.6666 H26.6664 Cu4 I4 N6 O0.6666 P2 -","- C275.999 H239.998 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.0727","0.0392","","","0.0866","0.1128","","","","","","1.057","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134571","30.0438","0.0012","30.0438","0.0012","11.4013","0.0005","90","","90","","120","","8912.4","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C31.33 H28 Cu4 I4 N6 O0.67 P2 -","- C31.3332 H27.9996 Cu4 I4 N6 O0.6666 P2 -","- C281.999 H251.996 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.1423","0.1032","","","0.2967","0.3437","","","","","","1.118","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134572","10.0085","0.0011","20.427","0.002","14.7521","0.0016","90","","102.161","0.002","90","","2948.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O8 S -","- C32 H31 N O8 S -","- C128 H124 N4 O32 S4 -","4","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0744","0.0462","","","0.1129","0.1278","","","","","","1.035","","","","has coordinates","249793","2020-10-21","18:00:00",""
"4134573","10.755","0.003","13.715","0.004","11.281","0.003","90","","100.786","0.004","90","","1634.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O5 S -","- C36 H42 N2 O5 S -","- C72 H84 N4 O10 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.055","0.0441","","","0.1248","0.1417","","","","","","1.058","","","","has coordinates","249794","2020-10-21","18:00:00",""
"4134574","7.1258","0.0011","11.6075","0.0017","17.716","0.003","99.633","0.003","90.185","0.003","103.543","0.003","1403.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Br N O6 S -","- C30 H28 Br N O6 S -","- C60 H56 Br2 N2 O12 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0818","0.0467","","","0.0993","0.1249","","","","","","1.023","","","","has coordinates","249795","2020-10-21","18:00:00",""
"4134575","10.4805","0.0019","14.527","0.003","15.293","0.003","90","","100.045","0.003","90","","2292.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 I N2 Pd -","- C27 H23 I N2 Pd -","- C108 H92 I4 N8 Pd4 -","4","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0338","0.0262","","","0.0621","0.0659","","","","","","1.087","","","","has coordinates","249796","2020-10-21","18:00:00",""
"4134576","10.262","0.002","11.446","0.003","12.83","0.003","72.823","0.004","78.115","0.004","75.963","0.004","1382","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Cl N2 O6 S -","- C29 H27 Cl N2 O6 S -","- C58 H54 Cl2 N4 O12 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.1177","0.0683","","","0.1821","0.2242","","","","","","1.053","","","","has coordinates","249797","2020-10-21","18:00:00",""
"4134577","9.2157","0.0019","10.454","0.002","13.746","0.003","92.427","0.003","93.426","0.003","92.778","0.004","1319","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 N O4 S -","- C31 H33 N O4 S -","- C62 H66 N2 O8 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.1089","0.0658","","","0.1641","0.2223","","","","","","0.99","","","","has coordinates","249798","2020-10-21","18:00:00",""
"4134578","18.317","0.004","15.482","0.004","18.981","0.004","90","","94.555","0.005","90","","5366","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O4 S2 -","- C30 H26 N2 O4 S2 -","- C240 H208 N16 O32 S16 -","8","2","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.181","0.0724","","","0.1443","0.1918","","","","","","1.091","","","","has coordinates","249799","2020-10-21","18:00:00",""
"4134579","19.7144","0.0004","19.2488","0.0004","20.5275","0.0004","90","","109.682","0.002","90","","7334.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83.5 H34.47 Au F30 N6 O Pd -","- C83.5 H34.472 Au F30 N6 O Pd -","- C334 H137.888 Au4 F120 N24 O4 Pd4 -","4","1","","Wang, Yue; Kai, Hiroto; Ishida, Masatoshi; Gokulnath, Sabapathi; Mori, Shigeki; Murayama, Tomotaka; Muranaka, Atsuya; Uchiyama, Masanobu; Yasutake, Yuhsuke; Fukatsu, Susumu; Notsuka, Yusuke; Yamaoka, Yoshihisa; Hanafusa, Mamiko; Yoshizawa, Michito; Kim, Gakhyun; Kim, Dongho; Furuta, Hiroyuki","Synthesis of a Black Dye with Absorption Capabilities Across the Visible-to-Near-Infrared Region: A MO-Mixing Approach via Heterometal Coordination of Expanded Porphyrinoid.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01824","","","0.71073","MoKα","","0.071","0.0463","","","0.0986","0.1072","","","","","","1.048","","","","has coordinates,has disorder","249838","2020-10-21","18:00:00",""
"4134580","73.5784","0.0008","73.5784","0.0008","73.5784","0.0008","90","","90","","90","","398337","8","298","","298","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","MUV-101(Co)","- C306 H102 Co34 O390.8 Ti17 -","- C306 H102 Co34 O390.8 Ti17 -","- C4896 H1632 Co544 O6252.8 Ti272 -","16","0.0833333","","M Padial, Natalia; Lerma-Berlanga, Belen; Almora-Barrios, Neyvis; Castells-Gil, Javier; da Silva, Ivan; de la Mata, María; Molina, Sergio I.; Hernández-Saz, Jesús; Platero-Prats, Ana E; Tatay, Sergio; Marti-Gastaldo, Carlos","Heterometallic titanium-organic frameworks by metal-induced dynamic topological transformations.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00117","powder diffraction","","0.442655","synchrotron","","3.79005","","","","","","","","1.77258","","","","","","","has coordinates","249839","2020-10-21","18:00:00",""
"4134581","24.196","0.005","17.771","0.004","10.927","0.002","90","","92.74","0.03","90","","4693.1","1.7","100","0.1","100","0.01","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L incl. o-Xylene","","","- C50 H46 Mg3 N2 O10 -","- C50 H46 Mg3 N2 O10 -","- C200 H184 Mg12 N8 O40 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1041","0.0838","","","0.2177","0.2345","","","","","","1.096","","","","has coordinates,has disorder","249872","2020-10-21","18:00:00",""
"4134582","23.44","0.0004","18.8301","0.0003","10.91659","0.00018","90","","93.4812","0.0017","90","","4809.45","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L; As-Synthesized; Hydrated","","","- C26 H54 Mg3 N2 O29 -","- C26 H16 Mg3 N2 O29 -","- C104 H64 Mg12 N8 O116 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.0698","0.0686","","","0.2045","0.2059","","","","","","1.048","","","","has coordinates","249873","2020-10-21","18:00:00",""
"4134583","24.22","0.005","17.812","0.004","10.975","0.002","90","","92.83","0.03","90","","4728.9","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L Dehydrated","","","- C26 H21 Mg3 N2 O12.5 -","- C26 H16 Mg3 N2 O12.5 -","- C104 H64 Mg12 N8 O50 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1196","0.0992","","","0.2669","0.2883","","","","","","1.078","","","","has coordinates","249874","2020-10-21","18:00:00",""
"4134584","10.937","0.003","14.947","0.003","15.041","0.004","71.41","0.018","86.86","0.02","88.896","0.016","2327","1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Mg-CUK-1L incl. AzB","","","- C50 H36 Mg3 N6 O10 -","- C50 H36 Mg3 N6 O10 -","- C100 H72 Mg6 N12 O20 -","2","1","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1981","0.1337","","","0.3114","0.3805","","","","","","0.957","","","","has coordinates","249875","2020-10-21","18:00:00",""
"4134585","16.279","0.0003","17.6696","0.0003","19.8265","0.0003","90","","101.277","0.0005","90","","5592.86","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H52 O4 -","- C80 H52 O4 -","- C320 H208 O16 -","4","1","","Moore, Jeffrey S.; Jiang, Xing; Laffoon, Summer D.; Chen, Dandan; Pérez-Estrada, Salvador; Danis, Andrew S.; Rodríguez-López, Joaquín; Garcia-Garibay, Miguel A; Zhu, Jun","Kinetic Control in the Synthesis of a Möbius Tris((ethynyl)[5]helicene) Macrocycle Using Alkyne Metathesis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01430","","","0.71073","MoKα","","0.0554","0.0487","","","0.1211","0.1269","","","","","","1.029","","","","has coordinates,has disorder","249876","2020-10-21","18:00:00",""
"4134586","11.47","0.002","13.122","0.004","22.181","0.004","90","","91.554","0.017","90","","3337.2","1.3","298.85","","298.85","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H93 Cl O12 -","- C70 H93 Cl O12 -","- C140 H186 Cl2 O24 -","2","0.5","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Li, Errui; Huang, Feihe","Highly Selective Removal of Trace Isomers by Nonporous Adaptive Pillararene Crystals for Chlorobutane Purification.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02684","","","1.54178","CuKα","","0.1397","0.0638","","","0.1336","0.1692","","","","","","1.004","","","","has coordinates,has disorder","249877","2020-10-21","18:00:00",""
"4134587","12.3608","0.001","14.645","0.0012","23.0103","0.0017","79.48","0.005","74.424","0.005","65.366","0.005","3635.4","0.5","102","2","102.36","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H93 Cl O12 -","- C70 H93 Cl O12 -","- C140 H186 Cl2 O24 -","2","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Li, Errui; Huang, Feihe","Highly Selective Removal of Trace Isomers by Nonporous Adaptive Pillararene Crystals for Chlorobutane Purification.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02684","","","1.34139","GaKα","","0.2539","0.2134","","","0.4221","0.4429","","","","","","0.89","","","","has coordinates","249878","2020-10-21","18:00:00",""
"4134588","12.3859","0.0002","15.1577","0.0003","13.1632","0.0002","90","","103.212","0.0009","90","","2405.87","0.07","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H35 N3 O7 Os -","- C20 H35 N3 O7 Os -","- C80 H140 N12 O28 Os4 -","4","2","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0329","0.0313","","0.0686","0.0678","0.0686","","","","","","1.026","","","","has coordinates","249879","2020-10-21","18:00:00",""
"4134589","6.2622","0.0001","10.0039","0.0001","31.7656","0.0005","90","","90","","90","","1990","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","1","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0289","0.0286","","","0.0981","0.0988","","","","","","0.96","","","","has coordinates","249880","2020-10-21","18:00:00",""
"4134590","7.8458","0.0001","19.9207","0.0002","24.0461","0.0001","85.631","0.001","83.572","0.001","87.686","0.001","3721.85","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C98 H78 N2 O4 -","- C98 H78 N2 O4 -","- C196 H156 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54184","CuKα","","0.117","0.1106","","","0.3784","0.3952","","","","","","1.89","","","","has coordinates","249919","2020-10-21","18:00:00",""
"4134591","15.2028","0.0003","14.7948","0.0002","20.705","0.0007","90","","104.281","0.003","90","","4513.1","0.2","169.99","0.12","169.99","0.12","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.2094","0.1532","","","0.361","0.3859","","","","","","2.102","","","","has coordinates","249920","2020-10-21","18:00:00",""
"4134592","15.1377","0.0002","19.4899","0.0003","22.4137","0.0002","106.704","0.001","98.601","0.001","105.017","0.001","5935.33","0.15","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H66 N2 O4 -","- C72 H66 N2 O4 -","- C288 H264 N8 O16 -","4","2","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54184","CuKα","","0.1216","0.111","","","0.362","0.3817","","","","","","1.717","","","","has coordinates","249921","2020-10-21","18:00:00",""
"4134593","7.7158","0.0001","15.2504","0.0003","16.7377","0.0003","69.44","0.002","82.721","0.002","80.783","0.001","1814.96","0.06","169.98","0.1","169.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C99 H79 Cl3 N2 O4 -","- C99 H79 Cl3 N2 O4 -","- C99 H79 Cl3 N2 O4 -","1","0.5","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.0777","0.0738","","","0.2179","0.2227","","","","","","1.05","","","","has coordinates,has disorder","249922","2020-10-21","18:00:00",""
"4134594","16.3803","0.0003","29.3997","0.0006","34.6846","0.0005","70.914","0.002","88.745","0.001","88.207","0.001","15776.1","0.5","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C392 H312 N8 O16 -","- C392 H312 N8 O16 -","- C784 H624 N16 O32 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.2294","0.1979","","","0.4492","0.478","","","","","","1.782","","","","has coordinates,has disorder","249923","2020-10-21","18:00:00",""
"4134595","15.2129","0.0004","14.7868","0.0004","20.7684","0.0007","90","","103.878","0.003","90","","4535.5","0.2","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.1559","0.1375","","","0.3298","0.3437","","","","","","2.337","","","","has coordinates","249924","2020-10-21","18:00:00",""
"4134596","13.86","0.0003","17.3797","0.0005","35.4965","0.0005","83.053","0.002","83.981","0.002","77.853","0.002","8269.9","0.3","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C98 H78 N2 O4 -","- C98 H78 N2 O4 -","- C392 H312 N8 O16 -","4","2","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54178","CuKα","","0.2147","0.1651","","","0.4012","0.4326","","","","","","1.291","","","","has coordinates,has disorder","249925","2020-10-21","18:00:00",""
"4134597","34.7822","0.0006","34.7822","0.0006","34.7822","0.0006","90","","90","","90","","42079.6","1.3","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","EuHHTP","","Eu6HOTP2 Metal-Organic Framework","- C36 H12 Eu6 N6.23 O38.28 -","- C36 H12 Eu6 N6.232 O38.287 -","- C576 H192 Eu96 N99.712 O612.592 -","16","0.0833333","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0595","0.0466","","","0.113","0.1235","","","","","","1.136","","","","has coordinates,has disorder","249926","2020-10-21","18:00:00",""
"4134598","35.2393","0.0017","35.2393","0.0017","35.2393","0.0017","90","","90","","90","","43760","4","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","La6HOTP2 metal-organic framework","","","- C36 H12 La6 N3.9 O41.64 -","- C36 H12 La6 N3.898 O41.64 -","- C576 H192 La96 N62.368 O666.24 -","16","0.0833333","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0686","0.0509","","","0.1391","0.1579","","","","","","1.184","","","","has coordinates,has disorder","249927","2020-10-21","18:00:00",""
"4134599","34.785","0.003","34.785","0.003","34.785","0.003","90","","90","","90","","42090","6","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","Y6HOTP2 metal-organic framework","","","- C18 H6 N2.69 O18.69 Y3 -","- C18 H6 N2.687 O18.687 Y3 -","- C576 H192 N85.984 O597.984 Y96 -","32","0.166667","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0565","0.045","","","0.1178","0.1223","","","","","","1.082","","","","has coordinates,has disorder","249928","2020-10-21","18:00:00",""
"4134600","17.8071","0.0013","20.7861","0.0017","11.1015","0.0008","90","","90","","90","","4109.1","0.5","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42.5 H32 Cl5 F3 N2 O Pd -","- C42.5 H32 Cl5 F3 N2 O Pd -","- C170 H128 Cl20 F12 N8 O4 Pd4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0326","0.0287","","","0.0642","0.0663","","","","","","1.022","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134601","11.4494","0.0005","18.261","0.0009","19.2278","0.0009","91.268","0.002","95.438","0.002","95.772","0.002","3979.7","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H27 Cl4 F3 N2 O Pd -","- C44 H27 Cl4 F3 N2 O Pd -","- C176 H108 Cl16 F12 N8 O4 Pd4 -","4","2","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","1.54178","CuKα","","0.0317","0.0295","","","0.0787","0.0805","","","","","","1.025","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134602","11.3097","0.001","16.5092","0.0015","21.156","0.002","90","","91.13","0.001","90","","3949.4","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl4 F6 N2 Ni O -","- C45 H26 Cl4 F6 N2 Ni O -","- C180 H104 Cl16 F24 N8 Ni4 O4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0378","0.0309","","","0.0753","0.0787","","","","","","1.045","","","","has coordinates,has disorder","251468","2020-10-21","18:00:00",""
"4134603","27.604","0.004","27.604","0.004","27.604","0.004","90","","90","","90","","21034","5","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C479.4 H558.6 Fe32 N127.8 O247.8 -","4","0.333333","","Chiong, Jerika A.; Zhu, Jie; Bailey, Jake B.; Kalaj, Mark; Subramanian, Rohit; Xu, Wenqian; Cohen, Seth M.; Tezcan, F. Akif","An Exceptionally Stable Metal-Organic Framework Constructed from Chelate-based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01626","","","0.71073","MoKα","","0.071","0.057","","","0.1368","0.1455","","","","","","1.053","","","","has coordinates","249933","2020-10-21","18:00:00",""
"4134604","13.4811","0.0003","19.2956","0.0004","26.5465","0.0005","90","","90","","90","","6905.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H71.5 Cl7.5 N6 O9 -","- C68 H71.5 Cl7.5 N6 O9 -","- C272 H286 Cl30 N24 O36 -","4","1","","Yousefi, Roozbeh; Sarkar, Aritra; Ashtekar, Kumar; Whitehead, Daniel C.; Kakeshpour, Tayeb; Holmes, Daniel; Reed, Paul; Jackson, James E.; Borhan, Babak","Mechanistic Insights into the Origin of Stereoselectivity in an Asymmetric Chlorolactonization Catalyzed by (DHQD)<sub>2</sub>PHAL.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01830","","","1.54178","CuKα","","0.109","0.0713","","","0.1911","0.2225","","","","","","1.029","","","","has coordinates,has disorder","249974","2020-10-21","18:00:00",""
"4134605","10.082","0.005","10.59","0.005","13.103","0.007","84.987","0.015","86.295","0.015","62.063","0.01","1230.8","1.1","295","2","294.66","","","","","","","","","6","P -1","-P 1","2","","SIFSIX-23-Cu-beta2","","- C24 H20 Cu F6 N8 Si -","- C24 H20 Cu F6 N8 Si -","- C48 H40 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Yang, Qing-Yuan; Wang, Shi-Qiang; Vandichel, Matthias; Kumar, Amrit; Crowley, Clare M.; Kumar, Naveen; Deng, Cheng-Hua; Gascon Perez, Victoria; Lusi, Matteo; Wu, Hui; Zhou, Wei; Zaworotko, Michael J.","Reversible switching between nonporous and porous phases of a new SIFSIX coordination network induced by a flexible linker ligand.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01314","","","0.71073","MoKα","","0.1783","0.1047","","","0.2723","0.3278","","","","","","1.042","","","","has coordinates","250007","2020-10-21","18:00:00",""
"4134606","10.4165","0.0008","11.6479","0.0008","12.239","0.0012","64.535","0.004","71.549","0.005","74.498","0.003","1256.77","0.19","150","2","150","","","","","","","","","7","P -1","-P 1","2","","SIFSIX-23-Cu-beta1","","- C24 H22 Cu F6 N8 O Si -","- C24 H22 Cu F6 N8 O Si -","- C48 H44 Cu2 F12 N16 O2 Si2 -","2","1","","Song, Bai-Qiao; Yang, Qing-Yuan; Wang, Shi-Qiang; Vandichel, Matthias; Kumar, Amrit; Crowley, Clare M.; Kumar, Naveen; Deng, Cheng-Hua; Gascon Perez, Victoria; Lusi, Matteo; Wu, Hui; Zhou, Wei; Zaworotko, Michael J.","Reversible switching between nonporous and porous phases of a new SIFSIX coordination network induced by a flexible linker ligand.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01314","","","1.54178","CuKα","","0.1821","0.1333","","","0.3287","0.36","","","","","","1.08","","","","has coordinates","250008","2020-10-21","18:00:00",""
"4134607","40.116","0.003","20.2528","0.0012","23.0493","0.0015","90","","100.858","0.006","90","","18391","2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C198 H208 N8 O16 -","- C198 H208 N8 O16 -","- C792 H832 N32 O64 -","4","1","","Schuster, Nathaniel J.; Joyce, Leo A.; Paley, Daniel W.; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","The Structural Origins of Intense Circular Dichroism in a Waggling Helicene Nanoribbon.","Journal of the American Chemical Society","2020","142","15","7066","7074","10.1021/jacs.0c00646","","x-ray","1.54184","CuKα","","0.3035","0.1806","","","0.4585","0.5347","","","","","","1.327","","","","has coordinates","251467","2020-10-21","18:00:00",""
"4134608","7.9199","0.0002","11.2795","0.0003","14.9844","0.0004","91.4157","0.0017","90.3788","0.0019","90.853","0.002","1338","0.06","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C16 H17 F3 -","- C15.9993 H17 F2.99775 -","- C63.997 H68 F11.991 -","4","4","","Kutateladze, Dennis A.; Strassfeld, Daniel A.; Jacobsen, Eric N.","Enantioselective Tail-to-Head Cyclizations Catalyzed by Dual-Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02665","","","1.54178","CuKα","","0.0602","0.0511","","","0.1281","0.1356","","","","","","1.03","","","","has coordinates,has disorder","250010","2020-10-21","18:00:00",""
"4134609","28.8499","0.0008","30.8381","0.0009","41.3583","0.0012","90","","92.334","0.002","90","","36765","1.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","PFC-11","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C1248 H780 N156 O312 -","52","13","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","1.54178","CuKα","","0.1453","0.0941","","","0.2752","0.3182","","","","","","1.022","","","","has coordinates","250011","2020-10-21","18:00:00",""
"4134610","30.91","","27.384","","20.633","","90","","90","","90","","17464.6","","273","2","272.99","","","","","","","","","4","C m c e","-C 2ac 2","64","","PFC-12","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C576 H360 N72 O144 -","24","1.5","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","1.54178","CuKα","","0.1778","0.0789","","","0.2219","0.3022","","","","","","0.923","","","","has coordinates","250012","2020-10-21","18:00:00",""
"4134611","26.4904","0.001","41.3829","0.0015","30.8788","0.0012","90","","90","","90","","33851","2","100","2","100.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","PFC-13","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C1152 H720 N144 O288 -","48","6","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","0.71073","MoKα","","0.1345","0.0783","","","0.2187","0.2622","","","","","","1.032","","","","has coordinates","250013","2020-10-21","18:00:00",""
"4134612","21.493","0.006","29.212","0.008","36.334","0.011","90","","90","","90","","22812","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C712 H716 F288 N96 O2 S24 Se24 -","4","1","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.1539","0.0719","","","0.1654","0.1846","","","","","","1.003","","","","has coordinates,has disorder","250027","2020-10-21","18:00:00",""
"4134613","9.7669","0.0011","7.0025","0.0005","10.1992","0.0012","90","","112.658","0.014","90","","643.71","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","0.71073","MoKα","","0.0795","0.0541","","","0.1007","0.1131","","","","","","1.001","","","","has coordinates","250404","2020-10-21","18:00:00",""
"4134614","9.9112","0.0002","6.8771","0.0001","10.4391","0.0002","90","","113.921","0.002","90","","650.42","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0342","0.0301","","","0.0669","0.074","","","","","","1.001","","","","has coordinates","250405","2020-10-21","18:00:00",""
"4134615","9.7772","0.0002","7.006","0.0001","10.2094","0.0002","90","","112.707","0.002","90","","645.13","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.027","0.0245","","","0.061","0.0656","","","","","","1.005","","","","has coordinates","250406","2020-10-21","18:00:00",""
"4134616","9.9291","0.0003","6.87","0.0002","10.457","0.0003","90","","114.028","0.004","90","","651.49","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0505","0.0437","","","0.1042","0.1243","","","","","","1.006","","","","has coordinates","250407","2020-10-21","18:00:00",""
"4134617","7.338","0.0004","7.4214","0.0004","8.9759","0.0004","92.332","0.003","102.352","0.004","118.864","0.003","412.21","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H4 N8 O4 -","- C3 H4 N8 O4 -","- C6 H8 N16 O8 -","2","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0457","0.0394","","","0.1099","0.1137","","","","","","1.087","","","","has coordinates","250408","2020-10-21","18:00:00",""
"4134618","4.9771","0.0004","13.1099","0.0009","16.9277","0.0011","101.61","0.004","91.179","0.005","90.05","0.005","1081.68","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6.33 N7 O2.67 -","- C3 H5 N7 O2 -","- C18 H30 N42 O12 -","6","3","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0922","0.0651","","","0.1872","0.2085","","","","","","1.091","","","","has coordinates","250409","2020-10-21","18:00:00",""
"4134619","11.3834","0.0003","7.3039","0.0002","15.8799","0.0004","90","","90","","90","","1320.31","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O2 -","- C4 H6 N6 O2 -","- C32 H48 N48 O16 -","8","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0458","0.044","","","0.1157","0.1175","","","","","","1.093","","","","has coordinates","250410","2020-10-21","18:00:00",""
"4134620","4.9044","0.0019","26.767","0.01","7.71","0.003","90","","96.835","0.012","90","","1004.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O5 -","- C4 H8 N8 O5 -","- C16 H32 N32 O20 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.1947","0.1169","","","0.2437","0.2689","","","","","","1.105","","","","has coordinates","250411","2020-10-21","18:00:00",""
"4134621","8.0844","0.0009","9.054","0.0011","10.5384","0.0012","90","","96.114","0.003","90","","766.98","0.15","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C5 H7 N7 O2 -","- C5 H7 N7 O2 -","- C20 H28 N28 O8 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.1335","0.0554","","","0.114","0.1382","","","","","","1.015","","","","has coordinates","250412","2020-10-21","18:00:00",""
"4134622","8.4672","0.0004","11.1265","0.0006","7.9409","0.0004","90","","90","","90","","748.11","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H8 N8 O2 -","- C3 H8 N8 O2 -","- C12 H32 N32 O8 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.0402","0.0333","","","0.0831","0.087","","","","","","1.062","","","","has coordinates","250413","2020-10-21","18:00:00",""
"4134623","8.058","0.0004","8.2082","0.0004","19.263","0.001","81.733","0.0011","89.6948","0.001","80.2803","0.001","1242.51","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TJS-A-01","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C56 H56 N4 O10 S2 -","2","1","","Steiman, Talia J.; Liu, Junyi; Mengiste, Amanuella; Doyle, Abigail G.","Synthesis of β-Phenethylamines via Ni/Photoredox Cross-Electrophile Coupling of Aliphatic Aziridines and Aryl Iodides.","Journal of the American Chemical Society","2020","142","16","7598","7605","10.1021/jacs.0c01724","","","0.71073","MoKα","","0.0561","0.0448","","","0.1176","0.1246","","","","","","1.06","","","","has coordinates,has disorder","251460","2020-10-21","18:00:00",""
"4134624","5.1739","0.0002","5.1739","0.0002","13.9856","0.0001","90","","90","","120","","324.226","0.018","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Zn2FeNbO6","- Fe Nb O6 Zn2 -","- Fe0.5 Nb0.5 O3 Zn -","- Fe3 Nb3 O18 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","250448","2020-10-21","18:00:00",""
"4134625","5.17022","0.00001","5.17022","0.00001","13.93338","0.00006","90","","90","","120","","322.556","0.0016","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Zn2FeTaO6","- Fe O6 Ta Zn2 -","- Fe0.5 O3 Ta0.5 Zn -","- Fe3 O18 Ta3 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","250449","2020-10-21","18:00:00",""
"4134626","9.9559","0.0005","12.4988","0.0006","17.2264","0.0008","90","","104.392","0.001","90","","2076.33","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 B10 O2 -","- C17 H26 B10 O2 -","- C68 H104 B40 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0569","0.0481","","","0.1295","0.1378","","","","","","1.031","","","","has coordinates","250450","2020-10-21","18:00:00",""
"4134627","19.9522","0.001","13.7412","0.0006","18.6004","0.0008","90","","90","","90","","5099.6","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H29 B10 N2 O2 -","- C22 H29 B10 N2 O2 -","- C176 H232 B80 N16 O16 -","8","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1233","0.0967","","","0.2609","0.2882","","","","","","1.071","","","","has coordinates,has disorder","250451","2020-10-21","18:00:00",""
"4134628","11.1222","0.0011","16.2539","0.0019","19.748","0.003","90","","96.326","0.004","90","","3548.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B10 O -","- C12 H24 B10 O -","- C96 H192 B80 O8 -","8","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0703","0.0557","","","0.1518","0.1715","","","","","","1.048","","","","has coordinates","250452","2020-10-21","18:00:00",""
"4134629","8.91","0.003","13.323","0.004","16.77","0.006","70.5","0.014","74.6","0.01","86.737","0.01","1808.1","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 B10 N2 O8 -","- C31 H42 B10 N2 O8 -","- C62 H84 B20 N4 O16 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0924","0.0781","","","0.2265","0.2402","","","","","","1.106","","","","has coordinates","250453","2020-10-21","18:00:00",""
"4134630","8.7666","0.0013","11.1964","0.0018","17.168","0.003","100.936","0.005","99.267","0.005","94.811","0.005","1621.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 B10 N2 O3 S2 -","- C29 H36 B10 N2 O3 S2 -","- C58 H72 B20 N4 O6 S4 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0666","0.0571","","","0.1555","0.1657","","","","","","1.071","","","","has coordinates","250454","2020-10-21","18:00:00",""
"4134631","6.9003","0.0004","11.8511","0.0007","14.2073","0.0008","78.8301","0.0019","81.9861","0.0017","85.1877","0.0017","1126.74","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 B10 N2 O2 -","- C17 H28 B10 N2 O2 -","- C34 H56 B20 N4 O4 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1238","0.0952","","","0.1869","0.2004","","","","","","1.165","","","","has coordinates","250455","2020-10-21","18:00:00",""
"4134632","13.4462","0.0005","16.1808","0.0006","18.8504","0.0006","88.657","0.001","71.508","0.001","77.42","0.001","3791.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H48 B10 N2 O3 -","- C35 H48 B10 N2 O3 -","- C140 H192 B40 N8 O12 -","4","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1091","0.0824","","","0.2282","0.2543","","","","","","1.028","","","","has coordinates,has disorder","250456","2020-10-21","18:00:00",""
"4134633","9.8763","0.0004","15.3708","0.0007","18.6884","0.0008","90","","91.3929","0.0013","90","","2836.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 B10 N2 O3 -","- C20 H40 B10 N2 O3 -","- C80 H160 B40 N8 O12 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0755","0.0561","","","0.1539","0.1747","","","","","","1.057","","","","has coordinates,has disorder","250457","2020-10-21","18:00:00",""
"4134634","17.8979","0.0006","14.7783","0.0005","16.9268","0.0005","90","","110.964","0.001","90","","4180.8","0.2","170","2","170","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C78 H68 Cl2 F4 N8 O2 Pt2 S2 -","- C78 H68 Cl2 F4 N8 O2 Pt2 S2 -","- C156 H136 Cl4 F8 N16 O4 Pt4 S4 -","2","0.5","","Wu, Xiugang; Chen, Deng-Gao; Liu, Denghui; Liu, Shih-Hung; Shen, Shin-Wei; Wu, Chih-I; Xie, Guohua; Zhou, Jianwei; Huang, Zhi-Xuan; Huang, Chun-Ying; Su, Shi-Jian; Zhu, Weiguo; Chou, Pi-Tai","Highly Emissive Dinuclear Platinum(III) Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13956","","","1.34139","GaKα","","0.0427","0.0411","","","0.1073","0.1084","","","","","","1.107","","","","has coordinates","250458","2020-10-21","18:00:00",""
"4134635","13.3029","0.0003","14.1443","0.0003","15.9246","0.0004","112.076","0.002","111.146","0.002","92.244","0.002","2536.25","0.12","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","1","1","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","0.71073","MoKα","","0.0894","0.0589","","","0.1098","0.1257","","","","","","1.028","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134636","13.4845","0.0003","33.0195","0.0012","22.9829","0.0007","90","","105.404","0.003","90","","9865.6","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H196 Fe6 N12 Na12 O26 -","- C176 H196 Fe6 N12 Na12 O26 -","- C352 H392 Fe12 N24 Na24 O52 -","2","0.5","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","1.54184","CuKα","","0.1049","0.0958","","","0.257","0.264","","","","","","1.073","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134637","38.585","0.01","38.585","0.01","38.585","0.01","90","","90","","90","","57445","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","Hf-TBB","","- C72.29 H39.16 Hf6.02 N6.02 O32.13 -","- C72 H45 Hf6 N6 O32 -","- C576 H360 Hf48 N48 O256 -","8","0.0833333","","Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin","Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy.","Journal of the American Chemical Society","2020","142","16","7334","7339","10.1021/jacs.0c02129","","x-ray","0.41328","synchrotron","","0.1085","0.1041","","","0.2388","0.2417","","","","","","1.003","","","","has coordinates","251463","2020-10-21","18:00:00",""
"4134638","13.491","0.005","13.711","0.005","14.567","0.005","75.315","0.005","84.23","0.005","67.787","0.005","2413","1.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H130 N10 Ni2 O56 -","- C70 H50 N10 Ni2 O28 -","- C70 H50 N10 Ni2 O28 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71069","MoKα","","0.2131","0.14","","","0.3023","0.3356","","","","","","1.003","","","","has coordinates","250546","2020-10-21","18:00:00",""
"4134639","10.617","0.002","12.641","0.003","13.803","0.003","106.8","0.03","104.68","0.03","93.65","0.03","1696.7","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Co N12 O22 -","- C68 H60 Co N12 O22 -","- C68 H60 Co N12 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1162","0.0758","","","0.1691","0.2264","","","","","","1.024","","","","has coordinates","250547","2020-10-21","18:00:00",""
"4134640","8.767","0.0018","17.488","0.003","20.607","0.004","97.49","0.03","96.84","0.03","93.45","0.03","3100.9","1.1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H55 Cl8 N11 O16 -","- C57 H55 Cl8 N11 O16 -","- C114 H110 Cl16 N22 O32 -","2","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1233","0.0991","","","0.1996","0.2145","","","","","","1.004","","","","has coordinates","250548","2020-10-21","18:00:00",""
"4134641","11.0295","0.0003","17.5019","0.0007","15.1089","0.0004","90","","92.126","0.002","90","","2914.57","0.16","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl2 N5 O10 -","- C27 H29 Cl2 N5 O10 -","- C108 H116 Cl8 N20 O40 -","4","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0873","0.071","","","0.1667","0.1794","","","","","","1.027","","","","has coordinates","250549","2020-10-21","18:00:00",""
"4134642","13.8006","0.0002","16.4423","0.0003","12.8876","0.0002","90","","93.84","0.002","90","","2917.81","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 N10 O26 -","- C54 H70 N10 O26 -","- C108 H140 N20 O52 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0625","0.0589","","","0.1415","0.144","","","","","","1.009","","","","has coordinates","250550","2020-10-21","18:00:00",""
"4134643","14.0185","0.0005","7.0639","0.0002","28.6965","0.0008","90","","95.382","0.003","90","","2829.15","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 N10 O24 -","- C54 H66 N10 O24 -","- C108 H132 N20 O48 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.1317","0.1287","","","0.2596","0.2612","","","","","","1.011","","","","has coordinates","250551","2020-10-21","18:00:00",""
"4134644","13.493","0.003","13.659","0.003","13.762","0.003","81.1","0.03","77.9","0.03","89.71","0.03","2449.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_ 5 2,5-dihydroxyterephthalate dianion_ 2 samarium(III)_4 DMF_10 H2O","","- C90 H102 N14 O44 Sm2 -","- C90 H82 N14 O44 Sm2 -","- C90 H82 N14 O44 Sm2 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1121","0.082","","","0.165","0.1871","","","","","","1.008","","","","has coordinates","250552","2020-10-21","18:00:00",""
"4134645","11.434","0.005","13.195","0.005","14.751","0.005","97.223","0.005","111.87","0.005","109.823","0.005","1860.2","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H82 N12 Ni O31 -","- C62 H46 N10 Ni O28 -","- C62 H46 N10 Ni O28 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71069","MoKα","","0.1682","0.1116","","","0.2205","0.2574","","","","","","1.008","","","","has coordinates","250553","2020-10-21","18:00:00",""
"4134646","13.288","0.003","13.453","0.003","14.007","0.003","81.17","0.03","79.33","0.03","88.99","0.03","2431.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H96 Gd2 N14 O41 -","- C90 H82 Gd2 N14 O41 -","- C90 H82 Gd2 N14 O41 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1807","0.1025","","","0.183","0.2401","","","","","","1.011","","","","has coordinates","250554","2020-10-21","18:00:00",""
"4134647","10.5126","0.0008","11.5747","0.0007","13.0705","0.0008","77.021","0.005","77.706","0.006","66.522","0.006","1407.86","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Br4 N10 O18 -","- C54 H58 Br4 N10 O18 -","- C54 H58 Br4 N10 O18 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0443","0.0317","","","0.0589","0.0632","","","","","","1.013","","","","has coordinates","250555","2020-10-21","18:00:00",""
"4134648","10.641","0.002","11.699","0.002","15.585","0.003","99.44","0.03","99.77","0.03","105.65","0.03","1795.6","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H45 Cd2 F16 N11 O19 -","- C73 H34 Cd2 F16 N11 O19 -","- C73 H34 Cd2 F16 N11 O19 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0627","0.0575","","","0.1233","0.1272","","","","","","1.018","","","","has coordinates","250556","2020-10-21","18:00:00",""
"4134649","13.41","0.003","13.637","0.003","13.674","0.003","81.29","0.03","89.58","0.03","77.57","0.03","2413","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 N14 O44 Tb2 -","- C90 H82 N14 O44 Tb2 -","- C90 H82 N14 O44 Tb2 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0816","0.0663","","","0.1415","0.1508","","","","","","1.013","","","","has coordinates","250557","2020-10-21","18:00:00",""
"4134650","11.383","0.002","13.133","0.003","14.705","0.003","97.38","0.03","111.98","0.03","109.81","0.03","1833.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H90 Co N10 O40 -","- C62 H46 Co N10 O22 -","- C62 H46 Co N10 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1495","0.1137","","","0.2451","0.2722","","","","","","1.018","","","","has coordinates","250558","2020-10-21","18:00:00",""
"4134651","14.1263","0.0004","14.7486","0.0004","17.1292","0.0004","84.581","0.002","67.137","0.002","85.187","0.002","3269.34","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C111 H87 Cl16 Eu4 N13 O43 -","- C111 H71 Cl16 Eu4 N13 O43 -","- C111 H71 Cl16 Eu4 N13 O43 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0513","0.0442","","","0.1167","0.123","","","","","","0.985","","","","has coordinates","250559","2020-10-21","18:00:00",""
"4134652","8.6588","0.0017","12.578","0.003","14.189","0.003","90.8","0.03","98.72","0.03","107.1","0.03","1457.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H68 N12 O20 -","- C54 H42 N10 O18 -","- C54 H42 N10 O18 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1626","0.1006","","","0.1821","0.211","","","","","","1.017","","","","has coordinates","250560","2020-10-21","18:00:00",""
"4134653","9.222","0.0005","13.1187","0.0007","13.2147","0.0006","66.628","0.005","72.463","0.004","80.647","0.004","1397.65","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 N10 O19 -","- C58 H48 N10 O19 -","- C58 H48 N10 O19 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0752","0.0628","","","0.1609","0.1712","","","","","","1.009","","","","has coordinates,has disorder","250561","2020-10-21","18:00:00",""
"4134654","28.526","0.006","24.457","0.005","30.314","0.006","90","","90","","90","","21149","7","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C148 H307 N20 O138.5 Zn6 -","- C148 H104 N20 O48 Zn6 -","- C592 H416 N80 O192 Zn24 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0874","0.0614","","","0.1414","0.1616","","","","","","1.013","","","","has coordinates","250562","2020-10-21","18:00:00",""
"4134655","13.505","0.003","13.637","0.003","13.752","0.003","98.74","0.03","101.75","0.03","90.05","0.03","2449.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 N14 Nd2 O44 -","- C90 H82 N14 Nd2 O44 -","- C90 H82 N14 Nd2 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1575","0.0952","","","0.1765","0.2227","","","","","","1.025","","","","has coordinates","250563","2020-10-21","18:00:00",""
"4134656","14.0288","0.0008","14.7086","0.0008","17.4117","0.0008","84.418","0.004","67.062","0.005","84.129","0.004","3284.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C102 H99 Br16 Eu4 N10 O56.5 -","- C102 H50 Br16 Eu4 N10 O44 -","- C102 H50 Br16 Eu4 N10 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0959","0.0648","","","0.1657","0.186","","","","","","1.031","","","","has coordinates,has disorder","250564","2020-10-21","18:00:00",""
"4134657","13.527","0.003","13.726","0.003","13.879","0.003","80.92","0.03","77.64","0.03","89.22","0.03","2485.1","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_ 5 2,5-dihydroxyterephthalate dianion_ 2 europium(III)_4 DMF_10 H2O","","- C90 H102 Eu2 N14 O44 -","- C90 H82 Eu2 N14 O44 -","- C90 H82 Eu2 N14 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0813","0.056","","","0.1039","0.1216","","","","","","1.002","","","","has coordinates","250565","2020-10-21","18:00:00",""
"4134658","11.4584","0.0009","13.1978","0.0014","14.2186","0.0017","94.837","0.009","112.155","0.009","112.422","0.009","1774.3","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H80 N10 O35 Zn -","- C62 H57 N10 O35 Zn -","- C62 H57 N10 O35 Zn -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0853","0.0798","","","0.2117","0.2162","","","","","","1.014","","","","has coordinates,has disorder","250566","2020-10-21","18:00:00",""
"4134659","10.1496","0.0003","12.415","0.0005","13.5453","0.0004","93.516","0.003","104.544","0.003","112.869","0.004","1497.89","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H78 N14 O24 -","- C54 H46 N14 O24 -","- C54 H46 N14 O24 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0538","0.0506","","","0.1435","0.1469","","","","","","1.008","","","","has coordinates","250567","2020-10-21","18:00:00",""
"4134660","8.155","0.003","13.187","0.003","17.132","0.003","96.26","0.018","90.4","0.02","107.24","0.03","1747.6","0.9","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C78 H68 N10 O29 -","- C78 H61 N10 O29 -","- C78 H61 N10 O29 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.1273","0.0784","","","0.1781","0.2175","","","","","","1.008","","","","has coordinates,has disorder","250568","2020-10-21","18:00:00",""
"4134661","7.2423","0.0014","9.97","0.002","19.83","0.004","90","","90","","90","","1431.8","0.5","173.15","","173.15","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C8 H18 Cd O11 -","- C8 H12 Cd O11 -","- C32 H48 Cd4 O44 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0324","0.0322","","","0.0845","0.0848","","","","","","1.001","","","","has coordinates","250569","2020-10-21","18:00:00",""
"4134662","11.5353","0.0007","12.0569","0.0007","13.2156","0.0008","83.027","0.005","68.372","0.005","65.893","0.005","1558.68","0.18","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H78 N10 O22 -","- C58 H74 N10 O22 -","- C58 H74 N10 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0639","0.0548","","","0.1294","0.1372","","","","","","1.009","","","","has coordinates,has disorder","250570","2020-10-21","18:00:00",""
"4134663","8.4685","0.0004","15.1856","0.0004","25.6622","0.0007","74.699","0.002","89.369","0.003","78.998","0.003","3121.95","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 I4 N11 O18 -","- C56 H41 I4 N11 O18 -","- C112 H82 I8 N22 O36 -","2","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0942","0.0643","","","0.1567","0.1721","","","","","","1.004","","","","has coordinates","250571","2020-10-21","18:00:00",""
"4134664","12.88","0.003","20.339","0.004","15.174","0.003","90","","114.07","0.03","90","","3629.4","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H81 Cd N11 O33 -","- C65 H53 Cd N11 O33 -","- C130 H106 Cd2 N22 O66 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0647","0.0637","","","0.1754","0.1764","","","","","","1.009","","","","has coordinates","250572","2020-10-21","18:00:00",""
"4134665","9.1462","0.0002","7.02845","0.00014","16.4441","0.0004","90","","90.62","0.002","90","","1057.02","0.04","174.99","0.1","174.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","C30H12F4N2","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C60 H24 F8 N4 -","2","1","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","x-ray","1.54184","CuKα","","0.0346","0.0323","","","0.1002","0.1021","","","","","","1.1","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134666","7.023","0.0014","33.943","0.007","17.584","0.004","90","","90.07","0.03","90","","4191.7","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C240 H96 F32 N16 -","8","2","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","","0.71073","MoKα","","0.0731","0.0601","","","0.1644","0.2065","","","","","","1.051","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134667","23.2214","0.0003","20.51134","0.00017","17.808","0.0002","90","","109.079","0.0014","90","","8016.05","0.17","225","2","225","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cu2 F6 N4 O6 S2 -","- C32 H52 Cu2 F6 N4 O6 S2 -","- C256 H416 Cu16 F48 N32 O48 S16 -","8","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","","1.54184","CuKα","","0.0415","0.0407","","","0.107","0.1078","","","","","","1.056","","","","has coordinates,has disorder","251449","2020-10-21","18:00:00",""
"4134668","8.4835","0.0006","11.9653","0.0008","12.0408","0.0007","87.075","0.005","80.401","0.005","71.73","0.006","1144.37","0.14","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl2 Cu F N2 -","- C24 H34 Cl2 Cu F N2 -","- C48 H68 Cl4 Cu2 F2 N4 -","2","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","x-ray","1.54184","CuKα","","0.0421","0.0396","","","0.1011","0.1057","","","","","","1.054","","","","has coordinates","251449","2020-10-21","18:00:00",""
"4134669","8.9286","0.0002","16.9996","0.0004","22.4884","0.0005","90","","90","","90","","3413.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Br Fe N5 O -","- C36 H46 Br Fe N5 O -","- C144 H184 Br4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0241","0.0218","","","0.0488","0.0498","","","","","","1.072","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134670","8.77732","0.00019","17.1427","0.0003","22.6633","0.0005","90","","90","","90","","3410.08","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl Fe N5 O -","- C36 H46 Cl Fe N5 O -","- C144 H184 Cl4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0257","0.0238","","","0.0541","0.055","","","","","","1.055","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134671","12.6479","0.0004","13.0462","0.0004","21.3658","0.0007","90","","101.978","0.003","90","","3448.75","0.19","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46.99 Br1.01 Fe N5 O1.99 -","- C36 H46.9886 Br1.0114 Fe N5 O1.9886 -","- C144 H187.954 Br4.0456 Fe4 N20 O7.9544 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0566","0.0388","","","0.0816","0.0889","","","","","","1.033","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134672","32.8869","0.0009","11.113","0.0003","23.5812","0.0005","90","","90.019","0.002","90","","8618.3","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 Fe N5 O3 -","- C44 H62 Cl2 Fe N5 O3 -","- C352 H496 Cl16 Fe8 N40 O24 -","8","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0371","0.0322","","","0.0764","0.079","","","","","","1.045","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134673","12.6925","0.0003","13.0034","0.0003","21.3161","0.0005","90","","102.247","0.002","90","","3438.06","0.14","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Cl1.06 Fe N5 O1.94 -","- C36 H47 Cl1.058 Fe N5 O1.942 -","- C144 H188 Cl4.232 Fe4 N20 O7.768 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0527","0.0422","","","0.1036","0.1101","","","","","","1.051","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134674","14.4887","0.0002","22.9828","0.0002","21.1268","0.0002","90","","103.175","0.001","90","","6849.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C103 H207 Mo10 N4 Nb2 O42 P -","- C103 H207 Mo10 N4 Nb2 O42 P -","- C206 H414 Mo20 N8 Nb4 O84 P2 -","2","1","","Zhang, Guanyun; Gadot, Eyal; Gan-Or, Gal; Baranov, Mark; Tubul, Tal; Neyman, Alevtina; Li, Mu; Clotet, Anna; Poblet, Josep M.; Yin, Panchao; Weinstock, Ira A.","Self-Assembly and Ionic-Lattice-like Secondary Structure of a Flexible Linear Polymer of Highly Charged Inorganic Building Blocks.","Journal of the American Chemical Society","2020","142","16","7295","7300","10.1021/jacs.0c01486","","","0.71073","MoKα","","0.0666","0.0621","","","0.1503","0.1541","","","","","","1.02","","","","has coordinates,has disorder","251451","2020-10-21","18:00:00",""
"4134675","18.6068","0.0014","7.2917","0.0006","20.2774","0.0015","90","","110.916","0.002","90","","2569.9","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H26 I2 N O2 P -","- C28 H26 I2 N O2 P -","- C112 H104 I8 N4 O8 P4 -","4","1","","Yan, Shengyi; Xia, Wang; Li, Shaoyu; Song, Qiuling; Xiang, Shao-Hua; Tan, Bin","Michael Reaction Inspired Atroposelective Construction of Axially Chiral Biaryls.","Journal of the American Chemical Society","2020","142","16","7322","7327","10.1021/jacs.0c01963","","x-ray","0.71073","MoKα","","0.0557","0.0501","","","0.1168","0.1197","","","","","","1.025","","","","has coordinates","251453","2020-10-21","18:00:00",""
"4134676","20.539","0.0019","14.8908","0.0014","15.0531","0.0015","90","","90","","90","","4603.9","0.8","100","2","99.93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Zr -","- C20 H18 Cu F6 N4 O2.5 Zr -","- C160 H144 Cu8 F48 N32 O20 Zr8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0341","0.0317","","","0.0785","0.08","","","","","","1.044","","","","has coordinates,has disorder","251456","2020-10-21","18:00:00",""
"4134677","20.555","0.0007","14.8898","0.0005","15.0487","0.0005","90","","90","","90","","4605.8","0.3","100","2","100.04","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 Hf N4 O2.5 -","- C20 H18 Cu F6 Hf N4 O2.5 -","- C160 H144 Cu8 F48 Hf8 N32 O20 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0304","0.0248","","","0.0503","0.052","","","","","","1.042","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134678","7.1475","0.0003","9.9867","0.0004","10.8497","0.0004","91.854","0.002","106.408","0.002","104.499","0.002","714.81","0.05","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","1","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0259","0.0217","","","0.0514","0.0531","","","","","","1.041","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134679","6.259","0.0003","9.2167","0.0005","12.2518","0.0007","90","","90.846","0.002","90","","706.7","0.07","100","","100.11","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H12 Cu F6 Hf N2 O2 -","- C10 H12 Cu F6 Hf N2 O2 -","- C20 H24 Cu2 F12 Hf2 N4 O4 -","2","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0166","0.0162","","","0.0425","0.0428","","","","","","1.12","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134680","20.3754","0.0006","14.6737","0.0005","14.8668","0.0005","90","","90","","90","","4444.9","0.2","100","","100.07","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Ti -","- C20 H18 Cu F6 N4 O2.5 Ti -","- C160 H144 Cu8 F48 N32 O20 Ti8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0688","0.0424","","","0.0902","0.1021","","","","","","1.028","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134681","7.727","0.0001","14.3219","0.0003","12.3521","0.0003","90","","90","","90","","1366.95","0.05","100","2","99.97","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0254","0.0225","","","0.0607","0.0622","","","","","","1.052","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134682","9.718","0.0019","10.43","0.002","10.479","0.002","109.11","0.03","102.3","0.03","96.78","0.03","960.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 F4 O -","- C25 H18 F4 O -","- C50 H36 F8 O2 -","2","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.7","synchrotron","","0.0716","0.0568","","","0.1666","0.178","","","","","","1.109","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134683","9.609","0.004","15.344","0.006","21.494","0.009","90","","90","","90","","3169","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 F4 O5 -","- C36 H38 F4 O5 -","- C144 H152 F16 O20 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.71073","MoKα","","0.1517","0.1053","","","0.1829","0.2036","","","","","","1.192","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134684","11.057","0.002","15.078","0.003","22.516","0.005","90","","92.95","0.03","90","","3748.8","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F4 O -","- C23 H20 F4 O -","- C184 H160 F32 O8 -","8","2","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.75","synchrotron","","0.2105","0.1425","","","0.326","0.3523","","","","","","1.714","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134685","13.666","0.003","8.146","0.0016","16.531","0.003","90","","98.73","0.03","90","","1819","0.6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F4 O -","- C23 H18 F4 O -","- C92 H72 F16 O4 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.73","synchrotron","","0.0989","0.0521","","","0.1656","0.1883","","","","","","1","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134686","34.417","0.003","34.417","0.003","26.544","0.002","90","","90","","120","","27230","4","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H420 Mg24 O138 -","- C300 H330 Mg24 O138 -","- C900 H990 Mg72 O414 -","3","0.166667","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1325","0.081","","","0.2118","0.2488","","","","","","1.023","","","","has coordinates,has disorder","251458","2020-10-21","18:00:00",""
"4134687","37.025","0.005","36.916","0.005","26.53","0.004","90","","94.801","0.004","90","","36134","9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C265 H296 Mg24 N2 O129 -","- C265 H261 Mg24 N2 O129 -","- C1060 H1044 Mg96 N8 O516 -","4","1","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1382","0.089","","","0.2539","0.2987","","","","","","1.027","","","","has coordinates","251458","2020-10-21","18:00:00",""
"4134688","9.4673","0.0008","11.3216","0.0009","32.085","0.003","90","","97.472","0.003","90","","3409.8","0.5","100.04","","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Ni O -","- C24 H16 N2 Ni O -","- C192 H128 N16 Ni8 O8 -","8","2","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","x-ray","0.71073","MoKα","","0.057","0.0481","","","0.1165","0.1204","","","","","","1.167","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134689","9.772","0.003","14.573","0.004","9.077","0.004","90","","95.29","0.03","90","","1287.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 Ni -","- C16 H11 Cl N2 Ni -","- C64 H44 Cl4 N8 Ni4 -","4","0.5","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","","0.65295","Synchrotron","","0.0474","0.044","","","0.1184","0.122","","","","","","1.066","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134690","7.66791","0.00014","35.5294","0.0006","18.9331","0.0003","90","","90.5243","0.0017","90","","5157.85","0.15","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 Mn4 N20 O22 -","- C82 H108 Mn4 N20 O22 -","- C164 H216 Mn8 N40 O44 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54184","CuKα","","0.0573","0.0525","","","0.1446","0.1488","","","","","","1.048","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134691","14.5195","0.0007","47.357","0.002","14.8983","0.0007","90","","101.308","0.001","90","","10045.2","0.8","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C166 H174 Mn4 N38 O16 -","- C166 H174 Mn4 N38 O16 -","- C332 H348 Mn8 N76 O32 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.1036","0.0793","","","0.2406","0.2541","","","","","","1.065","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134692","47.019","0.002","8.0598","0.0003","41.8518","0.0019","90","","123.828","0.004","90","","13175.4","1.1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H84 Cl6 Co4 N24 O38 -","- C90 H92 Cl6 Co4 N24 O38 -","- C360 H368 Cl24 Co16 N96 O152 -","4","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54178","CuKα","","0.174","0.1293","","","0.3523","0.3894","","","","","","1.228","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134693","14.8683","0.0017","35.964","0.004","15.7673","0.0018","90","","115.88","0.003","90","","7585.6","1.5","120","2","119.99","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H34 F3 N10 O10 S Zn2 -","- C37 H34 F3 N10 O10 S Zn2 -","- C148 H136 F12 N40 O40 S4 Zn8 -","4","1","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.2173","0.1471","","","0.423","0.4519","","","","","","1.329","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134694","10.8346","0.0004","16.7939","0.0006","19.7458","0.0007","107.577","0.002","92.476","0.002","97.574","0.002","3382.1","0.2","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","1","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.126","0.0817","","","0.2608","0.2928","","","","","","1.094","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134695","20.6977","0.0009","20.6977","0.0009","14.1093","0.0007","90","","90","","120","","5234.6","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H120 N16 P4 U -","- C60 H120 N16 P4 U -","- C180 H360 N48 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0579","0.057","","","0.1453","0.1469","","","","","","1.059","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134696","20.77","0.003","20.77","0.003","13.975","0.002","90","","90","","120","","5221","1.3","103.58","","103.58","","","","","","","","","6","R 3 :H","R 3","146","","","","- C60 H120 N16 O P4 U -","- C60 H120 N16 O P4 U -","- C180 H360 N48 O3 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0651","0.0605","","","0.1498","0.1561","","","","","","1.101","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134697","14.9753","0.0017","22.266","0.003","47.714","0.006","90","","97.018","0.005","90","","15791","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H131 N17 P4 U -","- C69 H131 N17 P4 U -","- C552 H1048 N136 P32 U8 -","8","2","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0693","0.0534","","","0.122","0.1312","","","","","","1.035","","","","has coordinates,has disorder","251462","2020-10-21","18:00:00",""
"4134698","6.43","0.0001","12.1818","0.0001","25.8958","0.0002","90","","96.497","0.001","90","","2015.36","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","x-ray","1.54184","CuKα","","0.0409","0.0394","","","0.1009","0.102","","","","","","1.026","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134699","23.866","0.002","6.6629","0.0006","13.5743","0.0011","90","","94.136","0.003","90","","2152.9","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","","1.54178","CuKα","","0.0331","0.0324","","","0.0863","0.0874","","","","","","1.045","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134700","12.657","0.004","12.75","0.004","13.869","0.005","108.039","0.001","115.597","0.008","93.053","0.003","1873","1.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 B Cl2 N8 O -","- C45 H31 B Cl2 N8 O -","- C90 H62 B2 Cl4 N16 O2 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54187","CuKα","","0.0909","0.0597","","","0.1714","0.1878","","","","","","1.064","","","","has coordinates,has disorder","251437","2020-10-21","18:00:00",""
"4134701","11.0129","0.0014","13.4588","0.0016","15.067","0.002","108.158","0.006","90.077","0.007","94.144","0.006","2115.8","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","SubPTCBDaniline_axial_E2","","","- C49.5 H32 B Cl N8 -","- C49.5 H32 B Cl N8 -","- C99 H64 B2 Cl2 N16 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","0.71073","MoKα","","0.2096","0.0977","","","0.2772","0.3459","","","","","","1.024","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134702","10.6906","0.0002","12.2749","0.0002","28.911","0.0006","90","","92.992","0.002","90","","3788.7","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H31 B N8 -","- C49 H31 B N8 -","- C196 H124 B4 N32 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54184","CuKα","","0.0685","0.0509","","","0.1416","0.1533","","","","","","1.046","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134703","4.4481","0.0002","14.2679","0.0006","20.974","0.0012","90","","92.061","0.002","90","","1330.25","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","","Cui, Wen-Jun; Wu, Zhi-Jie; Gu, Qing; You, Shu-Li","Divergent Synthesis of Tunable Cyclopentadienyl Ligands and Their Application in Rh-Catalyzed Enantioselective Synthesis of Isoindolinone.","Journal of the American Chemical Society","2020","142","16","7379","7385","10.1021/jacs.0c02813","","","0.71073","MoKα","","0.0466","0.0375","","","0.0901","0.0976","","","","","","1.019","","","","has coordinates","251448","2020-10-21","18:00:00",""
"4134704","13.4491","0.0011","16.3991","0.0014","20.2594","0.0015","90","","90","","90","","4468.3","0.6","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Cp2TitBuNCHNtBuOTf","","","- C20 H29 F3 N2 O3 S Ti -","- C20 H29 F3 N2 O3 S Ti -","- C160 H232 F24 N16 O24 S8 Ti8 -","8","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0684","0.0499","","","0.0984","0.1054","","","","","","1.073","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134705","15.4192","0.0007","8.5253","0.0004","14.8104","0.0007","90","","112.358","0.002","90","","1800.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCNtBu","","","- C19 H28 N2 Ti -","- C19 H28 N2 Ti -","- C76 H112 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0349","0.0287","","","0.0771","0.0803","","","","","","1.042","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134706","10.6267","0.0005","13.3909","0.0006","23.1232","0.0011","90","","101.037","0.002","90","","3229.6","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp2TiCyNCNCyTiCp2","","","- C39 H48 N2 O0 Ti2 -","- C39 H48 N2 Ti2 -","- C156 H192 N8 Ti8 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0763","0.0621","","","0.1507","0.1598","","","","","","1.082","","","","has coordinates,has disorder","251439","2020-10-21","18:00:00",""
"4134707","10.4518","0.0016","19.916","0.003","21.075","0.003","99.063","0.006","104.113","0.007","90.366","0.005","4196.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp4Ti2CyNCNCy","","","- C33 H42 N2 Ti2 -","- C33 H42 N2 Ti2 -","- C198 H252 N12 Ti12 -","6","3","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0872","0.0731","","","0.1747","0.1806","","","","","","1.186","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134708","11.7346","0.0007","30.286","0.002","15.7125","0.0011","90","","107.969","0.003","90","","5311.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp2TiTEMPO2","","","- C28 H46 N2 O2 Ti -","- C28 H46 N2 O2 Ti -","- C224 H368 N16 O16 Ti8 -","8","2","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.114","0.0573","","","0.1239","0.1461","","","","","","1.018","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134709","14.933","0.006","8.546","0.003","15.746","0.005","90","","114.223","0.013","90","","1832.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCHNtBu","","","- C19 H29 N2 Ti -","- C19 H29 N2 Ti -","- C76 H116 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0877","0.0508","","","0.1016","0.1155","","","","","","1.034","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134710","15.4482","0.0005","11.305","0.0004","10.4848","0.0004","90","","90","","90","","1831.09","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cp2TitBuNCSNtBu","","","- C19 H28 N2 S Ti -","- C19 H28 N2 S Ti -","- C76 H112 N8 S4 Ti4 -","4","0.5","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0357","0.0283","","","0.0696","0.0755","","","","","","1.084","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134711","12.38233","0.00011","12.66874","0.00012","7.66215","0.00006","90","","90","","90","","1201.95","0.018","300","","300","","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Li0.687 Nb5 O15 Pb2.157 -","- Li0.685 Nb5 O15 Pb2.1565 -","- Li2.74 Nb20 O60 Pb8.626 -","4","1","","Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran","Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.","Journal of the American Chemical Society","2020","142","16","7480","7486","10.1021/jacs.0c00133","powder diffraction","neutron","2.0775","neutron","","0.088","0.0787","","0.0653","0.0629","","","","2.13","","","","","","","has coordinates","251452","2020-10-21","18:00:00",""
"4134712","8.9632","0.0019","8.3819","0.0019","12.045","0.004","90","","107.15","0.03","90","","864.7","0.4","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 F O4 -","- C20 H17 F O4 -","- C40 H34 F2 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0526","0.0473","","","0.1274","0.1334","","","","","","1.061","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134713","29.794","0.002","19.1363","0.0013","16.7518","0.0011","90","","113.055","0.002","90","","8788.1","1","288","2","288","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H106 Cl O14 P2 Pd2 -","- C82 H106 Cl O14 P2 Pd2 -","- C328 H424 Cl4 O56 P8 Pd8 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0722","0.0535","","","0.138","0.1619","","","","","","1.089","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134714","11.6485","0.0003","7.7932","0.0002","11.8264","0.0003","90","","115.44","0.001","90","","969.49","0.04","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.038","0.0339","","","0.0917","0.0961","","","","","","1.041","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134715","8.4534","0.0002","8.7745","0.0002","26.1457","0.0006","90","","90","","90","","1939.34","0.08","302","2","301.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.34139","GaKα","","0.0472","0.0417","","","0.0959","0.0999","","","","","","1.052","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134716","9.9875","0.0001","11.3241","0.0001","46.9874","0.0003","90","","90","","90","","5314.25","0.08","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O3 S -","- C32 H31 N O3 S -","- C256 H248 N8 O24 S8 -","8","2","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0356","0.0348","","","0.0871","0.0876","","","","","","1.049","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134717","9.7618","0.0001","10.0699","0.0001","12.2302","0.0001","90","","101.541","0.001","90","","1177.93","0.02","99.8","0.9","99.8","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0272","0.0265","","","0.0671","0.0675","","","","","","1.031","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134718","8.5056","0.0001","13.3487","0.0003","25.1954","0.0005","90","","90","","90","","2860.65","0.09","99.9","0.9","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S -","- C35 H33 N O3 S -","- C140 H132 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0665","0.0619","","","0.1546","0.1688","","","","","","1.136","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134719","17.4434","0.0012","5.892","0.0003","14.9985","0.001","90","","97.462","0.003","90","","1528.44","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Walton, Finlay; Bolling, John; Farrell, Andrew; MacEwen, Jamie; Syme, Christopher D.; Jiménez, Mario González; Senn, Hans M.; Wilson, Claire; Cinque, Gianfelice; Wynne, Klaas","Polyamorphism Mirrors Polymorphism in the Liquid-Liquid Transition of a Molecular Liquid.","Journal of the American Chemical Society","2020","142","16","7591","7597","10.1021/jacs.0c01712","","","0.71073","MoKα","","0.0509","0.0438","","","0.1036","0.1069","","","","","","1.07","","","","has coordinates","251464","2020-10-21","18:00:00",""
"4134720","9.9613","0.0003","12.3262","0.0004","15.8096","0.0005","89.843","0.003","88.801","0.002","82.682","0.002","1924.95","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 F18 N O2 P Pd -","- C37 H28 F18 N O2 P Pd -","- C74 H56 F36 N2 O4 P2 Pd2 -","2","1","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0418","0.0366","","","0.0967","0.0998","","","","","","1.058","","","","has coordinates,has disorder","250794","2020-10-21","18:00:00",""
"4134721","19.1646","0.0004","7.6938","0.0001","14.4178","0.0003","90","","108.664","0.002","90","","2014.09","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N2 O2 Pd -","- C22 H28 N2 O2 Pd -","- C88 H112 N8 O8 Pd4 -","4","0.5","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0181","0.017","","","0.0436","0.0442","","","","","","1.067","","","","has coordinates","250795","2020-10-21","18:00:00",""
"4134722","8.9433","0.0003","34.4853","0.0009","9.5969","0.0003","90","","113.354","0.004","90","","2717.32","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 N2 O6 Pd2 -","- C26 H34 N2 O6 Pd2 -","- C104 H136 N8 O24 Pd8 -","4","1","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0291","0.0237","","","0.0505","0.052","","","","","","1.039","","","","has coordinates","250796","2020-10-21","18:00:00",""
"4134723","9.3693","0.0002","9.1331","0.0002","12.3504","0.0002","90","","107.386","0.002","90","","1008.55","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O7 -","- C17 H27 Cl2 N O7 -","- C34 H54 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0278","0.0274","","","0.0743","0.0745","","","","","","1.05","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134724","31.4309","0.0009","12.0536","0.0003","25.2006","0.0008","90","","118.833","0.004","90","","8363.8","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Cl2 N O7.5 -","- C17 H26 Cl2 N O7.5 -","- C272 H416 Cl32 N16 O120 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0724","0.0652","","","0.1761","0.1817","","","","","","1.058","","","","has coordinates,has disorder","251465","2020-10-21","18:00:00",""
"4134725","10.4482","0.0004","10.733","0.0004","10.9047","0.0004","91.558","0.002","113.438","0.002","118.425","0.002","950.51","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Cl2 N O7 -","- C17 H25 Cl2 N O7 -","- C34 H50 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0505","0.0358","","","0.0773","0.0834","","","","","","1.061","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134726","24.6919","0.0015","7.6839","0.0004","9.7357","0.0006","90","","91.381","0.006","90","","1846.62","0.19","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0352","0.0338","","","0.0855","0.0864","","","","","","1.063","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134727","9.6479","0.0001","19.6056","0.0003","37.8797","0.0005","90","","90","","90","","7165.05","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C256 H352 Cl32 N16 O80 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0359","0.032","","","0.0868","0.0895","","","","","","1.043","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134728","10.975","0.002","11.916","0.002","17.67","0.003","92.41","0.004","98.443","0.004","103.385","0.004","2216.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 Al F36 O4 S2 -","- C34 H15 Al F36 O4 S2 -","- C68 H30 Al2 F72 O8 S4 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.0802","0.053","","","0.1258","0.1416","","","","","","1.046","","","","has coordinates","251466","2020-10-21","18:00:00",""
"4134729","11.8539","0.0004","11.8577","0.0004","11.8905","0.0004","67.399","0.001","74.886","0.001","81.448","0.001","1487.4","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S4 -","- C36 H30 S4 -","- C72 H60 S8 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","1.34139","GaKα","","0.0354","0.0306","","","0.0806","0.084","","","","","","1.026","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134730","21.5825","0.0009","10.977","0.0006","30.8704","0.0013","90","","98.337","0.002","90","","7236.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 Al F36 O4 S4 -","- C66 H46 Al F36.0005 O4 S4 -","- C264 H184 Al4 F144.002 O16 S16 -","4","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.1341","0.0841","","","0.2027","0.2323","","","","","","1.039","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134731","10.3835","0.0007","11.9083","0.0008","13.5373","0.001","80.634","0.004","88.346","0.004","76.95","0.004","1608.9","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.0589","0.0435","","","0.1069","0.1165","","","","","","1.024","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134732","7.2668","0.0016","12.68","0.003","20.209","0.007","80.52","0.03","84.99","0.02","87.23","0.02","1828.6","0.9","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2287","0.1461","","","0.3218","0.3735","","","","","","1.096","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134733","41.838","0.006","12.659","0.0019","29.003","0.004","90","","94.518","0.003","90","","15313","4","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.1516","0.1223","","","0.3618","0.3937","","","","","","1.573","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134734","12.0098","0.0009","34.634","0.003","39.679","0.003","90","","90","","90","","16504","2","100","2","100","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.0903","0.0752","","","0.204","0.2162","","","","","","1.044","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134735","11.9331","0.0007","14.1803","0.0009","42.533","0.002","90","","90","","90","","7197.2","0.7","100","2","99.98","","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C65 H49.5 F24 N4.5 P4 -","- C65 H49.5 F24 N4.5 P4 -","- C260 H198 F96 N18 P16 -","4","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2299","0.1971","","","0.4554","0.4836","","","","","","1.717","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134736","10.0922","0.0006","11.2174","0.0006","12.9069","0.0007","90.7726","0.0014","102.013","0.0014","114.075","0.0013","1296.91","0.13","298","2","298.01","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H68 Sn2 -","- C56 H68 Sn2 -","- C56 H68 Sn2 -","1","0.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1558","0.0646","","","0.1485","0.1881","","","","","","0.973","","","","has coordinates","250858","2020-10-21","18:00:00",""
"4134737","9.2973","0.001","10.4393","0.0011","15.0098","0.0015","102.391","0.003","99.151","0.003","115.642","0.002","1229.1","0.2","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C64 H36 I4 -","- C64 H36 I4 -","- C64 H36 I4 -","1","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1308","0.0654","","","0.0912","0.1056","","","","","","1.06","","","","has coordinates","250859","2020-10-21","18:00:00",""
"4134738","8.8782","0.0004","23.1887","0.0011","22.1751","0.0011","90","","98.8238","0.001","90","","4511.2","0.4","127","2","127.43","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2.6 H1.49 I0.19 -","- C2.60465 H1.48837 I0.186047 -","- C224 H128 I16 -","86","21.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.0558","0.0337","","","0.0664","0.0744","","","","","","1.061","","","","has coordinates","250860","2020-10-21","18:00:00",""
"4134739","12.8601","0.0013","20.375","0.002","11.4044","0.0012","90","","108.467","0.002","90","","2834.4","0.5","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Cl3 I2 N2 -","- C31 H15 Cl3 I2 N2 -","- C124 H60 Cl12 I8 N8 -","4","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.0934","0.0523","","","0.109","0.1305","","","","","","1.104","","","","has coordinates","250861","2020-10-21","18:00:00",""
"4134740","28.313","0.002","18.0423","0.0009","8.0929","0.0004","90","","90","","90","","4134.1","0.4","150","0.1","150","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C56 H54 -","- C56 H54 -","- C224 H216 -","4","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","x-ray","1.54184","CuKα","","0.153","0.1389","","","0.3553","0.3662","","","","","","1.465","","","","has coordinates","250862","2020-10-21","18:00:00",""
"4134741","9.1268","0.0007","18.1759","0.0013","18.251","0.0013","99.0899","0.0013","90.13","0.0014","90.1473","0.0013","2989.6","0.4","128","2","128.58","","","","","","","","","3","P -1","-P 1","2","","","","- C2.53 H1.4 I0.14 -","- C2.52632 H1.40351 I0.138614 -","- C144 H80 I7.901 -","57","28.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1148","0.0709","","","0.1449","0.1603","","","","","","1.066","","","","has coordinates","250863","2020-10-21","18:00:00",""
"4134742","14.5262","0.0012","17.6511","0.0016","18.136","0.0016","64.033","0.003","69.797","0.002","67.014","0.002","3762.4","0.6","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C H I O -","- C3.23636 H1.96364 I0.218182 O0.218182 -","- C178 H108 I12 O12 -","55","27.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1303","0.0681","","","0.115","0.1367","","","","","","1.093","","","","has coordinates","250864","2020-10-21","18:00:00",""
"4134743","11.483","0.002","11.901","0.002","18.093","0.004","90.88","0.03","96.38","0.03","91.6","0.03","2455.9","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 F18 N13 P3 V -","- C40 H43 F18 N13 P3 V -","- C80 H86 F36 N26 P6 V2 -","2","1","","Dorn, Matthias; Kalmbach, Jens; Boden, Pit; Päpcke, Ayla; Gómez, Sandra; Förster, Christoph; Kuczelinis, Felix; Carrella, Luca M.; Büldt, Laura A; Bings, Nicolas H.; Rentschler, Eva; Lochbrunner, Stefan; González, Leticia; Gerhards, Markus; Seitz, Michael; Heinze, Katja","A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution.","Journal of the American Chemical Society","2020","142","17","7947","7955","10.1021/jacs.0c02122","","","0.71073","MoKα","","0.0548","0.0409","","","0.106","0.1126","","","","","","1.028","","","","has coordinates,has disorder","251438","2020-10-21","18:00:00",""
"4134744","19.6982","0.0013","18.6978","0.0013","20.3197","0.0014","90","","90","","90","","7484","0.9","100","2","100.03","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.88 H51.66 Ni P2 S Si -","- C38.884 H51.652 Ni P2 S Si -","- C311.072 H413.216 Ni8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0547","0.0355","","","0.0793","0.0866","","","","","","1.02","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134745","10.579","0.0004","26.7073","0.0009","13.485","0.0005","90","","96.329","0.001","90","","3786.8","0.2","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 K Ni P2 S Si -","- C36 H45 K Ni P2 S Si -","- C144 H180 K4 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0429","0.0319","","","0.0739","0.0782","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134746","16.5609","0.0017","19.0517","0.001","24.6555","0.0018","90","","108.276","0.004","90","","7386.7","1","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N Ni O P2 S Si -","- C40 H52 N Ni O P2 S Si -","- C320 H416 N8 Ni8 O8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.063","0.0441","","","0.0901","0.0972","","","","","","1.067","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134747","10.6333","0.0009","23.759","0.004","13.7441","0.0013","90","","107.008","0.006","90","","3320.4","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Ni P2 S Si -","- C36 H44 Ni P2 S Si -","- C144 H176 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0597","0.0511","","","0.1213","0.1255","","","","","","1.153","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134748","11.6307","0.0006","24.5754","0.0012","17.3135","0.0007","90","","103.426","0.002","90","","4813.5","0.4","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 Li Ni O P2 S Si -","- C41 H57 Li Ni O P2 S Si -","- C164 H228 Li4 Ni4 O4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0927","0.0665","","","0.1457","0.1564","","","","","","1.059","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134749","12.5356","0.0008","17.6421","0.0011","15.1447","0.0016","90","","91.473","0.005","90","","3348.2","0.5","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.87 H46.6 N0.26 Ni P2 S Si -","- C36.868 H46.604 N0.264 Ni P2 S Si -","- C147.472 H186.416 N1.056 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0459","0.0352","","","0.0868","0.0924","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134750","26.428","0.005","34.545","0.007","48.902","0.01","79.82","0.03","85.36","0.03","78.09","0.03","42951","16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C312 H210 Co6 F72 N72 O48 S24 -","- C296 H210 Co6 F24 N64 O16 S8 -","- C1184 H840 Co24 F96 N256 O64 S32 -","4","2","","Rizzuto, Felix J.; Nitschke, Jonathan R.","Narcissistic, Integrative, and Kinetic Self-Sorting within a System of Coordination Cages.","Journal of the American Chemical Society","2020","142","17","7749","7753","10.1021/jacs.0c02444","","","0.6889","Synchrotron","","0.2107","0.1698","","","0.3991","0.4249","","","","","","1.089","","","","has coordinates,has disorder","251444","2020-10-21","18:00:00",""
"4134751","24.6743","0.0007","10.7666","0.0003","14.6325","0.0004","90","","100.481","0.003","90","","3822.39","0.19","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 O3 Si3 -","- C36 H66 O3 Si3 -","- C144 H264 O12 Si12 -","4","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.0623","0.0443","","","0.1153","0.1251","","","","","","1.072","","","","has coordinates,has disorder","250936","2020-10-21","18:00:00",""
"4134752","10.9749","0.0003","24.6837","0.0008","13.5232","0.0004","90","","95.884","0.003","90","","3644.15","0.19","104.6","","104.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Cl O3 Si2 -","- C33 H59 Cl O3 Si2 -","- C132 H236 Cl4 O12 Si8 -","4","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","","0.71073","MoKα","","0.0782","0.0526","","","0.1033","0.1141","","","","","","1.034","","","","has coordinates","250937","2020-10-21","18:00:00",""
"4134753","7.3602","0.0005","17.1118","0.0011","26.8552","0.0016","93.828","0.005","96.178","0.005","92.265","0.005","3351.4","0.4","106.4","","106.4","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H58 O3 Si2 -","- C33 H58 O3 Si2 -","- C132 H232 O12 Si8 -","4","2","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","","0.71073","MoKα","","0.1769","0.0824","","","0.114","0.147","","","","","","0.99","","","","has coordinates,has disorder","250938","2020-10-21","18:00:00",""
"4134754","14.4159","0.0007","12.894","0.0005","28.4623","0.0012","90","","90","","90","","5290.5","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C240 H336 O40 -","8","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1225","0.0656","","","0.1282","0.148","","","","","","1.007","","","","has coordinates","250939","2020-10-21","18:00:00",""
"4134755","11.6286","0.0003","15.8231","0.0004","17.4203","0.0005","73.227","0.002","81.077","0.002","71.98","0.002","2910.8","0.14","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H86 Br2 O6 Si3 -","- C53 H86 Br2 O6 Si3 -","- C106 H172 Br4 O12 Si6 -","2","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.0872","0.05","","","0.1066","0.1187","","","","","","1.038","","","","has coordinates,has disorder","250940","2020-10-21","18:00:00",""
"4134756","19.3242","0.0013","20.652","0.0016","19.7232","0.0018","90","","97.318","0.008","90","","7807.1","1.1","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 O3 Si3 -","- C36 H66 O3 Si3 -","- C288 H528 O24 Si24 -","8","2","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1566","0.0897","","","0.1803","0.2124","","","","","","1.058","","","","has coordinates,has disorder","250941","2020-10-21","18:00:00",""
"4134757","15.6733","0.0003","23.5355","0.0004","26.0438","0.0004","90","","90","","90","","9607","0.3","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C376 H496 Al8 Cl16 Mn8 N16 O84 -","4","1","","Lamb, Jessica R.; Hubbell, Aran K.; MacMillan, Samantha N.; Coates, Geoffrey W.","Carbonylative, Catalytic Deoxygenation of 2,3-Disubstituted Epoxides with Inversion of Stereochemistry: An Alternative Alkene Isomerization Method.","Journal of the American Chemical Society","2020","142","17","8029","8035","10.1021/jacs.0c02653","","x-ray","0.71073","MoKα","","0.045","0.0404","","","0.1021","0.1044","","","","","","1.021","","","","has coordinates,has disorder","251443","2020-10-21","18:00:00",""
"4134758","7.0319","0.0004","8.2216","0.0003","22.6065","0.0012","100.434","0.004","91.333","0.005","93.497","0.004","1282.17","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 O2 Si -","- C20 H20 O2 Si -","- C40 H40 O4 Si2 -","2","1","","Tang, Jinghua; Liu, Liu Leo; Yang, Shangru; Cong, Xuefeng; Luo, Meiming; Zeng, Xiaoming","Chemoselective Cross-Coupling between Two Different and Unactivated C(aryl)-O Bonds Enabled by Chromium Catalysis.","Journal of the American Chemical Society","2020","142","17","7715","7720","10.1021/jacs.0c00283","","x-ray","0.71073","MoKα","","0.0911","0.0533","","","0.1321","0.1476","","","","","","0.978","","","","has coordinates,has disorder","251445","2020-10-21","18:00:00",""
"4134759","10.6831","0.0002","16.4143","0.0004","20.2856","0.0004","91.674","0.002","98.011","0.001","98.486","0.002","3479.41","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 Fe2 N8 O2 P2 -","- C76 H96 Fe2 N8 O2 P2 -","- C152 H192 Fe4 N16 O4 P4 -","2","1","","Liu, Tianchang; Gau, Michael R.; Tomson, Neil C.","Mimicking the Constrained Geometry of a Nitrogen-Fixation Intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01861","","x-ray","0.71073","MoKα","","0.0672","0.0557","","","0.1431","0.1501","","","","","","1.029","","","","has coordinates","251027","2020-10-21","18:00:00",""
"4134760","9.8631","0.0006","13.0959","0.0008","20.1607","0.0012","91.874","0.002","92.34","0.002","106.816","0.002","2487.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H81 Fe2 N8 O P2 -","- C45 H81 Fe2 N8 O P2 -","- C90 H162 Fe4 N16 O2 P4 -","2","1","","Liu, Tianchang; Gau, Michael R.; Tomson, Neil C.","Mimicking the Constrained Geometry of a Nitrogen-Fixation Intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01861","","","0.71073","MoKα","","0.0603","0.044","","","0.1","0.1063","","","","","","1.111","","","","has coordinates","251028","2020-10-21","18:00:00",""
"4134761","16.121","0.0012","20.2886","0.0017","19.1144","0.0015","90","","101.203","0.004","90","","6132.7","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C109 H152 B20 Cl2 Ir4 N8 O5 S4 -","- C100 H126 B20 Ir4 N8 O S4 -","- C200 H252 B40 Ir8 N16 O2 S8 -","2","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.1665","0.1127","","","0.2765","0.33","","","","","","1.025","","","","has coordinates,has disorder","251029","2020-10-21","18:00:00",""
"4134762","22.3072","0.0009","17.7179","0.0008","30.6044","0.0014","90","","90","","90","","12096","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H152 B20 Ir4 N8 O8 S4 -","- C104 H120 B20 Ir4 N8 S4 -","- C416 H480 B80 Ir16 N32 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0926","0.073","","","0.1754","0.1859","","","","","","1.068","","","","has coordinates,has disorder","251030","2020-10-21","18:00:00",""
"4134763","12.2385","0.0019","7.2735","0.0011","12.385","0.0019","90","","106.522","0.002","90","","1057","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 B5 N S -","- C8 H11 B5 N S -","- C32 H44 B20 N4 S4 -","4","1","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","0.71073","MoKα","","0.0528","0.0441","","","0.1173","0.1217","","","","","","1.144","","","","has coordinates","251031","2020-10-21","18:00:00",""
"4134764","30.973","0.002","36.178","0.0018","26.393","0.002","90","","118.943","0.005","90","","25881","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101 H163 B20 F12 Ir4 N17 O19 S8 -","- C73 H108 B20 F3 Ir4 N8 O3 S5 -","- C584 H864 B160 F24 Ir32 N64 O24 S40 -","8","1","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0828","0.0776","","","0.221","0.2266","","","","","","1.01","","","","has coordinates,has disorder","251032","2020-10-21","18:00:00",""
"4134765","21.999","0.004","18.835","0.004","27.602","0.006","90","","90","","90","","11437","4","143","2","143","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C106 H136 F12 Ir4 N4 O26 S4 -","- C96 H108 F12 Ir4 N4 O22 S4 -","- C384 H432 F48 Ir16 N16 O88 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0439","0.0422","","","0.1206","0.1226","","","","","","1.035","","","","has coordinates,has disorder","251033","2020-10-21","18:00:00",""
"4134766","9.1947","0.0004","12.5315","0.0005","12.6998","0.0005","68.868","0.001","72.203","0.001","72.296","0.001","1268.24","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Au N O0.5 P -","- C30 H29 Au N O0.5 P -","- C60 H58 Au2 N2 O P2 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0153","0.0149","","","0.0343","0.0344","","","","","","1.132","","","","has coordinates,has disorder","251034","2020-10-21","18:00:00",""
"4134767","14.4013","0.0005","22.8626","0.0008","17.4326","0.0005","90","","111.053","0.0011","90","","5356.6","0.3","173","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H22 Au Cl3 N3 P S -","- C25.5 H22 Au Cl3 N3 P S -","- C204 H176 Au8 Cl24 N24 P8 S8 -","8","2","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0507","0.0386","","","0.0878","0.0939","","","","","","1.044","","","","has coordinates,has disorder","251035","2020-10-21","18:00:00",""
"4134768","17.4021","0.0016","22.787","0.002","11.8185","0.001","90","","90","","90","","4686.5","0.7","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C174 H144 Au8 Cl12 N12 P8 S4 -","4","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0488","0.0377","","","0.0933","0.0989","","","","","","1.067","","","","has coordinates,has disorder","251036","2020-10-21","18:00:00",""
"4134769","11.3232","0.0005","14.8436","0.0006","15.9362","0.0007","108.324","0.0013","110.093","0.0011","91.327","0.0013","2361.95","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Au2 Cl6 N4 P2 -","- C46 H40 Au2 N4 P2 -","- C92 H80 Au4 N8 P4 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.029","0.0269","","","0.0651","0.0673","","","","","","1.08","","","","has coordinates","251037","2020-10-21","18:00:00",""
"4134770","11.4948","0.0004","12.7123","0.0005","13.9821","0.0006","96.619","0.001","93.383","0.001","92.209","0.001","2023.86","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Au2 P2 S2 -","- C48 H36 Au2 P2 S2 -","- C96 H72 Au4 P4 S4 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0198","0.0179","","","0.0418","0.0427","","","","","","1.049","","","","has coordinates,has disorder","251038","2020-10-21","18:00:00",""
"4134771","12.5803","0.0014","13.1347","0.0014","25.578","0.003","90","","100.26","0.002","90","","4158.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H35 Au2 N3 P2 S2 -","- C46 H35 Au2 N3 P2 S2 -","- C184 H140 Au8 N12 P8 S8 -","4","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0668","0.0575","","","0.1381","0.1442","","","","","","1.07","","","","has coordinates,has disorder","251039","2020-10-21","18:00:00",""
"4134772","18.267","0.003","21.858","0.003","23.701","0.004","90","","106.167","0.007","90","","9089","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H135 Fe2 K4 N8 O12.5 -","- C84 H135 Fe2 K4 N8 O12.5 -","- C336 H540 Fe8 K16 N32 O50 -","4","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.0713","0.043","","","0.0929","0.1041","","","","","","1.025","","","","has coordinates,has disorder","251040","2020-10-21","18:00:00",""
"4134773","23.887","0.004","13.743","0.002","23.071","0.004","90","","99.689","0.006","90","","7466","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H106 Fe2 K2 N8 -","- C79 H106 Fe2 K2 N8 -","- C316 H424 Fe8 K8 N32 -","4","0.5","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.041","0.0299","","","0.0714","0.076","","","","","","1.034","","","","has coordinates,has disorder","251041","2020-10-21","18:00:00",""
"4134774","11.038","0.0006","14.8077","0.0008","19.1696","0.0011","103.576","0.004","103.321","0.004","93.031","0.004","2944.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H88 Fe2 K2 N8 -","- C60.5 H88 Fe2 K2 N8 -","- C121 H176 Fe4 K4 N16 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.1862","0.0937","","","0.2322","0.2901","","","","","","1.026","","","","has coordinates,has disorder","251042","2020-10-21","18:00:00",""
"4134775","15.2409","0.001","19.6205","0.0013","25.0846","0.0016","90","","95.114","0.003","90","","7471.3","0.8","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H114 Fe2 K2 N6 O2 -","- C71 H114 Fe2 K2 N6 O2 -","- C284 H456 Fe8 K8 N24 O8 -","4","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.071","0.0614","","","0.1959","0.2024","","","","","","1.061","","","","has coordinates,has disorder","251043","2020-10-21","18:00:00",""
"4134776","14.1935","0.0005","14.9296","0.0005","20.5175","0.0007","106.481","0.0014","107.308","0.0013","99.2665","0.0014","3834.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H118 Fe K2 N6 O2 -","- C80 H118 Fe K2 N6 O2 -","- C160 H236 Fe2 K4 N12 O4 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.1438","0.0881","","","0.1922","0.2177","","","","","","1.044","","","","has coordinates,has disorder","251044","2020-10-21","18:00:00",""
"4134777","9.8917","0.0005","13.3478","0.0007","20.5374","0.001","81.598","0.001","87.079","0.001","89.906","0.001","2679","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H82 Fe2 N6 -","- C58 H82 Fe2 N6 -","- C116 H164 Fe4 N12 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.0579","0.0391","","0.1091","0.09","0.1091","","","","","","1.0509","","","","has coordinates","251045","2020-10-21","18:00:00",""
"4134778","10.1912","0.0004","26.8069","0.0009","20.4707","0.0007","90","","100.862","0.002","90","","5492.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium [N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper chloride tetrahydrofuran solvate","","- C55 H89.62 Cl Cu N4 O4.31 -","- C55 H89.6666 Cl Cu N4 O4.3333 -","- C220 H358.666 Cl4 Cu4 N16 O17.3332 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0453","0.0371","","","0.0936","0.098","","","","","","1.036","","","","has coordinates,has disorder","251084","2020-10-21","18:00:00",""
"4134779","9.1436","0.0009","13.9372","0.0013","15.675","0.0013","90","","97.531","0.004","90","","1980.3","0.3","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","['N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper fluoride fluorobenzene solvate","","- C43 H47 Cu F3 N3 O2 -","- C43 H47 Cu F3 N3 O2 -","- C86 H94 Cu2 F6 N6 O4 -","2","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0698","0.0474","","","0.0922","0.0992","","","","","","1.057","","","","has coordinates,has disorder","251085","2020-10-21","18:00:00",""
"4134780","19.3809","0.0009","13.1487","0.0006","15.3938","0.0007","90","","95.551","0.002","90","","3904.5","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper chloride diethyl ether solvate","","- C39 H57 Cl Cu N3 O4 -","- C39 H57 Cl Cu N3 O4 -","- C156 H228 Cl4 Cu4 N12 O16 -","4","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0935","0.0978","","","","","","1.042","","","","has coordinates,has disorder","251086","2020-10-21","18:00:00",""
"4134781","15.0248","0.0016","17.643","0.002","30.044","0.003","90","","90","","90","","7964.1","1.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(triphenylphosphoranylidene)ammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper fluoride tetrahydrofuran solvate","","- C87 H107 Cu F N4 O7 P2 -","- C87 H107 Cu F N4 O7 P2 -","- C348 H428 Cu4 F4 N16 O28 P8 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0491","0.0396","","","0.0989","0.103","","","","","","1.031","","","","has coordinates,has disorder","251087","2020-10-21","18:00:00",""
"4134782","19.5193","0.0018","13.327","0.0013","15.3535","0.0014","90","","94.521","0.003","90","","3981.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PDACuBr","[N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper bromide diethyl ether solvate","","- C39 H57 Br Cu N3 O4 -","- C39 H57 Br Cu N3 O4 -","- C156 H228 Br4 Cu4 N12 O16 -","4","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0293","0.0244","","","0.0637","0.0663","","","","","","1.041","","","","has coordinates","251088","2020-10-21","18:00:00",""
"4134783","10.2228","0.0004","26.7001","0.001","20.482","0.0008","90","","101.079","0.002","90","","5486.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper bromide","","- C55 H89 Br Cu N4 O4 -","- C55 H89 Br Cu N4 O4 -","- C220 H356 Br4 Cu4 N16 O16 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.049","0.0366","","","0.0937","0.0988","","","","","","1.053","","","","has coordinates","251089","2020-10-21","18:00:00",""
"4134784","39.604","0.002","12.148","0.0006","15.6435","0.001","90","","90","","90","","7526.2","0.7","273.15","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H60 Br Co N3 O -","- C38 H60 Br Co N3 O -","- C304 H480 Br8 Co8 N24 O8 -","8","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.198","0.1156","","","0.1787","0.199","","","","","","1.203","","","","has coordinates","251090","2020-10-21","18:00:00",""
"4134785","17.7543","0.0014","21.2404","0.0015","10.2959","0.0009","90","","91.993","0.004","90","","3880.3","0.5","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H104 Co2 N12 O2 -","- C76 H104 Co2 N12 O2 -","- C152 H208 Co4 N24 O4 -","2","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.0781","0.0608","","","0.1504","0.1624","","","","","","1.051","","","","has coordinates,has disorder","251091","2020-10-21","18:00:00",""
"4134786","15.7471","0.0007","18.5697","0.0007","23.0557","0.001","78.769","0.002","73.599","0.002","68.813","0.002","5997.9","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C235.11 H318 Co6 N24 -","- C235.104 H318 Co6 N24 -","- C235.104 H318 Co6 N24 -","1","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.0782","0.0531","","","0.1255","0.1367","","","","","","1.039","","","","has coordinates,has disorder","251092","2020-10-21","18:00:00",""
"4134787","30.437","0.002","16.9734","0.0011","15.1227","0.0011","90","","90","","90","","7812.7","0.9","99.96","","99.96","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C79 H124 Br0.19 Co2 N10.3 -","- C79 H124 Br0.195 Co2 N10.29 -","- C316 H496 Br0.78 Co8 N41.16 -","4","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","","0.71073","MoKα","","0.0643","0.0479","","","0.1138","0.1222","","","","","","1.037","","","","has coordinates,has disorder","251093","2020-10-21","18:00:00",""
"4134788","12.4567","0.0009","12.6505","0.001","16.5318","0.0012","70.454","0.004","72.443","0.003","70.308","0.004","2258.4","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H130 Co2 N13 Na O4 -","- C90 H130 Co2 N13 Na O4 -","- C90 H130 Co2 N13 Na O4 -","1","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.082","0.0635","","","0.1469","0.1585","","","","","","1.042","","","","has coordinates","251094","2020-10-21","18:00:00",""
"4134789","14.6658","0.0016","17.54","0.002","19.039","0.0019","108.894","0.008","106.654","0.008","102.13","0.008","4184","0.9","299","2","298.97","","","","","","","","","7","P -1","-P 1","2","","","","- C140 H120 F48 N12 O4 P8 Zn -","- C140 H120 F48 N12 O4 P8 Zn -","- C140 H120 F48 N12 O4 P8 Zn -","1","0.5","","Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Cyclophane-Sustained Ultrastable Porphyrins.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02311","","","1.54178","CuKα","","0.1265","0.0928","","","0.2544","0.2863","","","","","","1.071","","","","has coordinates,has disorder","251095","2020-10-21","18:00:00",""
"4134790","14.66878","0.00016","17.5021","0.0002","19.14358","0.00019","108.97","0.001","106.693","0.001","102.297","0.001","4189.71","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C134 H110 F48 N12 O2 P8 -","- C134 H110 F48 N12 O2 P8 -","- C134 H110 F48 N12 O2 P8 -","1","0.5","","Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Cyclophane-Sustained Ultrastable Porphyrins.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02311","","x-ray","1.54184","CuKα","","0.0672","0.0571","","","0.1601","0.1671","","","","","","1.039","","","","has coordinates,has disorder","251096","2020-10-21","18:00:00",""
"4134791","20.0407","0.001","12.4313","0.0007","5.1226","0.0002","90","","90","","90","","1276.2","0.11","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","20006z","","","- C12 H14 Cl F3 O -","- C12 H14 Cl F3 O -","- C48 H56 Cl4 F12 O4 -","4","1","","Xu, Shiyan; Holst, Hannah Marie; McGuire, Shelby Barbara; Race, Nicholas James","Reagent control enables selective and regiodivergent opening of unsymmetrical phenonium ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02095","","","0.71073","MoKα","","0.0416","0.0355","","","0.0868","0.0918","","","","","","1.021","","","","has coordinates","251142","2020-10-21","18:00:00",""
"4134792","9.388","0.003","5.204","0.002","26.465","0.009","90","","98.911","0.015","90","","1277.3","0.8","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20007z","","","- C13 H17 Cl O3 -","- C13 H17 Cl O3 -","- C52 H68 Cl4 O12 -","4","1","","Xu, Shiyan; Holst, Hannah Marie; McGuire, Shelby Barbara; Race, Nicholas James","Reagent control enables selective and regiodivergent opening of unsymmetrical phenonium ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02095","","","0.71073","MoKα","","0.062","0.044","","","0.1043","0.1145","","","","","","1.004","","","","has coordinates,has disorder","251143","2020-10-21","18:00:00",""
"4134793","13.1227","0.001","6.1014","0.0004","14.7877","0.0009","90","","111.106","0.004","90","","1104.58","0.13","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C42 H66 N2 O6 -","2","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0937","0.0524","","","0.1338","0.1633","","","","","","0.99","","","","has coordinates","251144","2020-10-21","18:00:00",""
"4134794","6.367","0.0003","17.479","0.0008","19.6003","0.0009","90","","90","","90","","2181.29","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0479","0.0405","","","0.1081","0.1159","","","","","","1.03","","","","has coordinates","251145","2020-10-21","18:00:00",""
"4134795","8.2796","0.0003","32.4638","0.0007","24.8002","0.0007","90","","98.611","0.003","90","","6590.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C232 H248 N40 O72 S8 -","8","2","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.1007","0.0659","","","0.1666","0.1839","","","","","","1.032","","","","has coordinates","251146","2020-10-21","18:00:00",""
"4134796","8.9495","0.0003","9.6147","0.0003","18.2756","0.0005","81.734","0.002","86.081","0.002","75.2","0.003","1503.77","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H29 N5 O10 S -","- C29.5 H29 N5 O10 S -","- C59 H58 N10 O20 S2 -","2","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","0.71073","MoKα","","0.0361","0.0314","","","0.0813","0.0837","","","","","","1.033","","","","has coordinates,has disorder","251147","2020-10-21","18:00:00",""
"4134797","8.0919","0.0001","21.6444","0.0003","15.449","0.0002","90","","90.114","0.001","90","","2705.8","0.06","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H32 N4 O9 S -","- C25.5 H32 N4 O9 S -","- C102 H128 N16 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.0612","0.0581","","","0.1486","0.1509","","","","","","1.112","","","","has coordinates,has disorder","251148","2020-10-21","18:00:00",""
"4134798","9.7906","0.0004","17.229","0.0007","18.2219","0.0008","90","","102.724","0.004","90","","2998.2","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C116 H124 N20 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","0.71073","MoKα","","0.0423","0.0353","","","0.0873","0.0906","","","","","","1.026","","","","has coordinates","251149","2020-10-21","18:00:00",""
"4134799","8.1117","0.0003","19.7564","0.0008","18.3015","0.0009","90","","92.656","0.004","90","","2929.8","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C116 H124 N20 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.149","0.091","","","0.2056","0.2395","","","","","","1.051","","","","has coordinates,has disorder","251150","2020-10-21","18:00:00",""
"4134800","16.6583","0.0002","9.9298","0.0001","19.3483","0.0002","90","","90","","90","","3200.47","0.06","108","3","108","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","1","","Wang, Hao; Gao, Yuzhen; Zhou, Chunlin; Li, Gang","Visible-Light-Driven Reductive Carboarylation of Styrenes with CO<sub>2</sub> and Aryl Halides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03144","","","1.3405","GaKα","","0.0375","0.0355","","","0.0877","0.0891","","","","","","1.038","","","","has coordinates","251152","2020-10-21","18:00:00",""
"4134801","20.9233","0.0005","20.9233","0.0005","26.342","0.0001","90","","90","","90","","11532.1","0.4","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C35 H44 B20 Cu2 N O9 -","- C35 H44 B20 Cu2 N O9 -","- C280 H352 B160 Cu16 N8 O72 -","8","0.5","","Gan, Lei; Chidambaram, Arunraj; Fonquernie, Pol G.; Light, Mark E.; Choquesillo-Lazarte, Duane; Huang, Hongliang; Solano, Eduardo; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Navarro, Jorge A. R.; Stylianou, Kyriakos C.; Planas, José G.","A Highly Water-Stable meta-Carborane-Based Copper Metal‒Organic Framework for Efficient High-Temperature Butanol Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01008","","x-ray","0.72932","synchrotron","","0.047","0.0456","","","0.1396","0.1413","","","","","","1.066","","","","has coordinates,has disorder","251190","2020-10-21","18:00:00",""
"4134802","11.1897","0.0002","22.9476","0.0004","11.9706","0.0002","90","","97.33","0.002","90","","3048.65","0.09","169.99","0.13","169.99","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O9 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.0838","0.0771","","","0.2279","0.2382","","","","","","1.032","","","","has coordinates","251219","2020-10-21","18:00:00",""
"4134803","15.7416","0.0005","18.3691","0.0006","18.8001","0.0006","90","","98.056","0.003","90","","5382.6","0.3","170","0.15","170","0.15","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C69 H58 Cl2 O8 -","- C69 H58 Cl2 O8 -","- C276 H232 Cl8 O32 -","4","0.5","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.139","0.0853","","","0.2261","0.2763","","","","","","1.026","","","","has coordinates,has disorder","251220","2020-10-21","18:00:00",""
"4134804","11.23","0.0002","22.991","0.0006","11.992","0.0003","90","","97.123","0.002","90","","3072.31","0.12","170.01","0.12","170.01","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.086","0.0815","","","0.2363","0.2417","","","","","","1.029","","","","has coordinates","251221","2020-10-21","18:00:00",""
"4134805","22.3783","0.0002","23.7901","0.0002","10.9436","0.0001","90","","100.149","0.001","90","","5735.01","0.09","169.99","0.14","169.99","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Cl4 O8 -","- C70 H60 Cl4 O8 -","- C280 H240 Cl16 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1041","0.093","","","0.2568","0.2723","","","","","","1.038","","","","has coordinates","251222","2020-10-21","18:00:00",""
"4134806","11.5052","0.0002","26.1338","0.0004","21.4462","0.0004","90","","105.098","0.002","90","","6225.74","0.19","169.99","0.13","169.99","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 F6 N O8 P -","- C75 H66 F6 N O8 P -","- C300 H264 F24 N4 O32 P4 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1087","0.0796","","","0.2258","0.2416","","","","","","1.631","","","","has coordinates,has disorder","251223","2020-10-21","18:00:00",""
"4134807","11.5277","0.0003","25.8886","0.0004","21.7575","0.0005","90","","101.989","0.003","90","","6351.6","0.3","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H65 F6 N2 O8 P -","- C73 H65 F6 N2 O8 P -","- C292 H260 F24 N8 O32 P4 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.12","0.0895","","","0.2342","0.2557","","","","","","1.045","","","","has coordinates,has disorder","251224","2020-10-21","18:00:00",""
"4134808","11.8713","0.0002","21.3316","0.0003","24.2532","0.0004","90","","100.206","0.001","90","","6044.55","0.17","169.98","0.16","169.98","0.16","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C77 H77 O8 -","- C77 H77 O8 -","- C308 H308 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.0928","0.0637","","","0.1768","0.2054","","","","","","1.018","","","","has coordinates,has disorder","251225","2020-10-21","18:00:00",""
"4134809","11.2952","0.0002","16.2834","0.0003","16.3725","0.0002","86.306","0.001","82.719","0.001","75.013","0.002","2883.84","0.09","169.99","0.16","169.99","0.16","","","","","","","","3","P -1","-P 1","2","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1156","0.0818","","","0.2322","0.2676","","","","","","1.046","","","","has coordinates","251226","2020-10-21","18:00:00",""
"4134810","12.1031","0.0002","21.4125","0.0004","25.1008","0.0004","90","","100.874","0.002","90","","6388.26","0.19","169.99","0.13","169.99","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 N2 O8 -","- C74 H64 N2 O8 -","- C296 H256 N8 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1555","0.1396","","","0.3588","0.368","","","","","","2.663","","","","has coordinates","251227","2020-10-21","18:00:00",""
"4134811","11.7975","0.001","11.833","0.0012","43.114","0.004","90","","90","","90","","6018.7","1","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C272 H224 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.2096","0.1407","","","0.3333","0.3811","","","","","","1.06","","","","has coordinates","251228","2020-10-21","18:00:00",""
"4134812","16.138","0.003","11.909","0.002","11.905","0.002","90","","90","0.03","90","","2288","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C28 H84 Br28 N16 Pb8 -","4","2","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.2444","0.0633","","","0.1319","0.1907","","","","","","0.771","","","","has coordinates","251229","2020-10-21","18:00:00",""
"4134813","8.4615","0.0017","8.465","0.0017","16.004","0.003","90","","89.99","0.03","90","","1146.3","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.056","0.046","","","0.1138","0.1196","","","","","","1.076","","","","has coordinates,has disorder","251230","2020-10-21","18:00:00",""
"4134814","16.0142","0.0012","8.4185","0.0007","8.4164","0.0006","90","","90.024","0.003","90","","1134.66","0.15","293","2","292.93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H26 Br7 N4 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0638","0.0448","","","0.14","0.1565","","","","","","1.065","","","","has coordinates","251231","2020-10-21","18:00:00",""
"4134815","8.4121","0.0008","8.4176","0.0009","15.9228","0.0019","90","","89.983","0.004","90","","1127.5","0.2","293","2","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H22 Br7 N4 Pb2 -","- C13 Br7 N Pb2 -","- C26 Br14 N2 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0473","0.0443","","","0.1365","0.1419","","","","","","1.104","","","","has coordinates","251232","2020-10-21","18:00:00",""
"4134816","33.433","0.007","8.3738","0.0017","8.376","0.0017","90","","104.45","0.03","90","","2270.8","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1814","0.0795","","","0.1826","0.2385","","","","","","0.929","","","","has coordinates","251233","2020-10-21","18:00:00",""
"4134817","16.193","0.002","8.3678","0.0011","8.3469","0.001","90","","89.921","0.006","90","","1131","0.2","293","2","293.01","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H0.5 Br7 N3 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0767","0.0576","","","0.169","0.1851","","","","","","1.07","","","","has coordinates","251234","2020-10-21","18:00:00",""
"4134818","16.0382","0.0013","8.4484","0.0007","8.4494","0.0006","90","","89.994","0.0015","90","","1144.87","0.16","298","2","297.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0768","0.0505","","","0.1528","0.1757","","","","","","1.048","","","","has coordinates","251235","2020-10-21","18:00:00",""
"4134819","15.952","0.003","8.4134","0.0017","8.4135","0.0017","90","","90.07","0.03","90","","1129.2","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C14 H44 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1276","0.0897","","","0.2695","0.3089","","","","","","1.071","","","","has coordinates","251236","2020-10-21","18:00:00",""
"4134820","33.2368","0.0017","8.3841","0.0005","8.3801","0.0004","90","","104.599","0.002","90","","2259.8","0.2","293","2","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0718","0.0461","","","0.1348","0.1509","","","","","","0.998","","","","has coordinates","251237","2020-10-21","18:00:00",""
"4134821","25.785","0.003","13.9805","0.0017","20.86","0.003","90","","106.277","0.003","90","","7218.4","1.6","99.97","","99.97","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53.5 H110 O15 Si10 U -","- C53.5 H108 O15 Si10 U -","- C214 H432 O60 Si40 U4 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1386","0.0785","","","0.1681","0.1943","","","","","","1.02","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134822","19.266","0.004","31.423","0.006","24.877","0.005","90","","92.053","0.003","90","","15051","5","100","2","100.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H189 N5 O32 Si14 U3 -","- C102 H169 N5 O32 Si14 U3 -","- C408 H676 N20 O128 Si56 U12 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1831","0.0943","","","0.2271","0.2844","","","","","","1.009","","","","has coordinates","251275","2020-10-21","18:00:00",""
"4134823","18.9919","0.0014","25.2308","0.0018","21.8579","0.0016","90","","90","","90","","10473.9","1.3","110.04","","110.04","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C84 H154 O24 Si14 U -","- C84 H80 O24 Si14 U -","- C336 H320 O96 Si56 U4 -","4","0.25","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.0949","0.0714","","","0.1784","0.1936","","","","","","1.047","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134824","18.8172","0.0011","28.943","0.002","26.8419","0.0016","90","","103.13","0.003","90","","14236.6","1.6","109.94","","109.94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H218 Li2 O32 Si14 U -","- C116 H186 Li2 O32 Si14 U -","- C464 H744 Li8 O128 Si56 U4 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.2088","0.1171","","","0.298","0.3534","","","","","","1.021","","","","has coordinates","251275","2020-10-21","18:00:00",""
"4134825","14.417","0.004","15.026","0.004","30.501","0.009","78.946","0.004","77.534","0.003","64.451","0.003","5784","3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C92.5 H171 Cl Li O26 Si14 U -","- C92.5 H155 Cl Li O26 Si14 U -","- C185 H310 Cl2 Li2 O52 Si28 U2 -","2","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1239","0.0826","","","0.2139","0.2433","","","","","","0.991","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134826","8.65271","","8.65271","","15.0844","","90","","90","","120","","978.054","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C4 H8 B N2 O3 Zn2 -","- C4 H8 B N2 O3 Zn2 -","- C24 H48 B6 N12 O18 Zn12 -","6","1","","Cao, Lei; Dai, Pengcheng; Tang, Jing; Li, Dong; Chen, Ruihua; Liu, Dandan; Gu, Xin; Li, Liangjun; Bando, Yoshio; Ok, Yong Sik; Zhao, Xuebo; Yamauchi, Yusuke","Spherical Superstructure of Boron Nitride Nanosheets Derived from Boron-Containing Metal-Organic Frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01023","","","","","","","","","","","","","","","","","","","","","has coordinates","251276","2020-10-21","18:00:00",""
"4134827","13.1334","0.0001","14.2586","0.0001","31.8035","0.0003","86.195","0.001","83.239","0.001","69.168","0.001","5525.68","0.09","170","2","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H36 B Cl8 I N2 O2 -","- C52 H36 B Cl8 I N2 O2 -","- C208 H144 B4 Cl32 I4 N8 O8 -","4","2","","Heinen, Flemming; Engelage, Elric; Cramer, Christopher J.; Huber, Stefan M.","Hypervalent Iodine(III) Compounds as Biaxial Halogen Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13309","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0741","0.0754","","","","","","1.049","","","","has coordinates","251277","2020-10-21","18:00:00",""
"4134828","9.4757","0.0002","18.517","0.0004","8.3509","0.0002","90","","103.09","0.002","90","","1427.19","0.06","170","2","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-phenylene-bis(N,N-dimethylpropiolamide)","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Heinen, Flemming; Engelage, Elric; Cramer, Christopher J.; Huber, Stefan M.","Hypervalent Iodine(III) Compounds as Biaxial Halogen Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13309","","x-ray","1.54184","CuKα","","0.0467","0.0409","","","0.1123","0.1166","","","","","","1.065","","","","has coordinates","251278","2020-10-21","18:00:00",""
"4134829","7.7739","0.0017","11.619","0.003","15.966","0.004","90","","96.442","0.008","90","","1433","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cr2 Si2 -","- C24 H44 Cr2 Si2 -","- C48 H88 Cr4 Si4 -","2","0.5","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0502","0.0416","","","0.1103","0.1159","","","","","","1.069","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134830","20.6422","0.0009","20.6422","0.0009","19.1449","0.0009","90","","90","","120","","7064.7","0.5","173.15","","173.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H79 Cr3 Si3 -","- C42 H79 Cr3 Si3 -","- C252 H474 Cr18 Si18 -","6","0.333333","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0719","0.0564","","","0.1639","0.1819","","","","","","1.048","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134831","24.5565","0.0011","11.8827","0.0005","21.1647","0.0009","90","","107.75","0.0015","90","","5881.8","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H100 Cr4 N2 Si4 -","- C54 H100 Cr4 N2 Si4 -","- C216 H400 Cr16 N8 Si16 -","4","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0895","0.0421","","","0.0882","0.1038","","","","","","1.01","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134832","11.8059","0.0004","20.8085","0.0008","43.452","0.0016","90","","90","","90","","10674.6","0.7","173.15","","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H86 Cr4 N2 Si4 -","- C48 H86 Cr4 N2 Si4 -","- C384 H688 Cr32 N16 Si32 -","8","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0601","0.0366","","","0.0789","0.0874","","","","","","1.065","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134833","28.9967","0.0011","11.1756","0.0004","32.7459","0.0013","90","","94.35","0.001","90","","10580.9","0.7","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H86 Cr4 N2 Si4 -","- C48 H86 Cr4 N2 Si4 -","- C384 H688 Cr32 N16 Si32 -","8","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0604","0.036","","","0.0793","0.0897","","","","","","1.0511","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134834","24.137","0.0009","11.8989","0.0004","21.1755","0.0008","90","","108.438","0.0013","90","","5769.5","0.4","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H92 Cr4 N2 Si4 -","- C54 H92 Cr4 N2 Si4 -","- C216 H368 Cr16 N8 Si16 -","4","0.5","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0504","0.0322","","","0.0716","0.0784","","","","","","1.031","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134835","37.955","0.01","10.84","0.003","19.797","0.006","90","","92.239","0.01","90","","8139","4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H65 Cr3 N2 Si3 -","- C36 H65 Cr3 N2 Si3 -","- C288 H520 Cr24 N16 Si24 -","8","2","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.1054","0.0774","","","0.1883","0.2014","","","","","","1.119","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134836","13.721","0.0003","20.3857","0.0006","8.8553","0.0008","90","","90","","90","","2476.9","0.2","440","","440","","","","","","","","","5","I b a m","-I 2 2c","72","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.25","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.0662","0.0472","","","0.1194","0.1249","","","","3.22","3.22","2.82","","","","has coordinates","251280","2020-10-21","18:00:00",""
"4134837","21.0227","0.0012","13.4267","0.0008","8.6803","0.0005","90","","108.817","0.0019","90","","2319.2","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.5","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.0177","0.0171","","","0.0516","0.0519","","","","1.43","1.43","1.42","","","","has coordinates","251281","2020-10-21","18:00:00",""
"4134838","21.1574","0.0008","13.5267","0.0005","8.75","0.0003","90","","108.89","0.0017","90","","2369.3","0.15","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.5","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.038","0.0287","","","0.0718","0.0764","","","","1.4","1.4","1.35","","","","has coordinates","251282","2020-10-21","18:00:00",""
"4134839","12.0899","0.0003","35.279","0.0008","52.6465","0.0012","90","","93.8197","0.0005","90","","22404.9","0.9","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H62.5 Fe N1.5 O P2 S4 Si4 -","- C50 H62.5 Fe N1.5 O P2 S4 Si4 -","- C800 H1000 Fe16 N24 O16 P32 S64 Si64 -","16","4","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0734","0.0506","","","0.1271","0.1442","","","","","","1.024","","","","has coordinates","251283","2020-10-21","18:00:00",""
"4134840","11.6404","0.0003","17.7643","0.0005","27.4234","0.0008","90","","99.8809","0.0009","90","","5586.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Fe O P2 S4 Si4 -","- C53 H69 Fe O P2 S4 Si4 -","- C212 H276 Fe4 O4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0833","0.0642","","","0.1405","0.151","","","","","","1.138","","","","has coordinates","251284","2020-10-21","18:00:00",""
"4134841","11.1747","0.0005","17.9172","0.0007","27.6759","0.0012","90","","99.7297","0.0011","90","","5461.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H64 Cl2 Fe P2 S4 Si4 -","- C49 H60 Cl2 Fe P2 S4 Si4 -","- C196 H240 Cl8 Fe4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0603","0.0466","","","0.1147","0.1257","","","","","","1.055","","","","has coordinates,has disorder","251285","2020-10-21","18:00:00",""
"4134842","27.3961","0.0004","17.5818","0.0002","28.1908","0.0004","90","","90","","90","","13578.7","0.3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C520 H568 Mn8 N16 O16 P24 S24 Si24 -","8","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0448","0.041","","","0.1217","0.1272","","","","","","1.034","","","","has coordinates,has disorder","251286","2020-10-21","18:00:00",""
"4134843","11.2716","0.0003","14.8244","0.0004","19.6616","0.0006","90","","90.5417","0.0009","90","","3285.2","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Mn N O P S3 Si3 -","- C27 H36 Mn N O P S3 Si3 -","- C108 H144 Mn4 N4 O4 P4 S12 Si12 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0404","0.0306","","","0.0747","0.0823","","","","","","1.054","","","","has coordinates","251287","2020-10-21","18:00:00",""
"4134844","11.6493","0.0003","18.6748","0.0005","27.5515","0.0008","90","","93.9162","0.0007","90","","5979.8","0.3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Cl4 Fe N O P2 S4 Si4 -","- C50 H63 Cl4 Fe N O P2 S4 Si4 -","- C200 H252 Cl16 Fe4 N4 O4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0815","0.0694","","","0.1865","0.196","","","","","","1.068","","","","has coordinates,has disorder","251288","2020-10-21","18:00:00",""
"4134845","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","251312","2020-10-21","18:00:00",""
"4134846","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","251313","2020-10-21","18:00:00",""
"4134847","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","251314","2020-10-21","18:00:00",""
"4134848","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","251315","2020-10-21","18:00:00",""
"4134849","13.3703","0.0002","6.6693","0.0001","8.8119","0.0001","90","","103.953","0.001","90","","762.577","0.019","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 -","- C20 H22 -","- C40 H44 -","2","0.5","","Zhang, Sheng; Bedi, Deepika; Cheng, L. U.; Unruh, Daniel K.; Li, Guigen; Findlater, Michael","Cobalt (II)-Catalyzed Stereoselective Olefin Isomerization: Facile Access to Acyclic Trisubstituted Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02101","","x-ray","1.54178","CuKα","","0.0455","0.043","","","0.123","0.1259","","","","","","1.047","","","","has coordinates","251316","2020-10-21","18:00:00",""
"4134850","7.4","0.004","9.556","0.004","13.814","0.008","104.002","0.018","101.714","0.019","100.72","0.02","899.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl3 N2 O3 S -","- C15 H17 Cl3 N2 O3 S -","- C30 H34 Cl6 N4 O6 S2 -","2","1","","Estrada, Jesús G; Williams, Wendy L.; Ting, Stephen I.; Doyle, Abigail G.","Role of Electron-Deficient Olefin Ligands in a Ni-Catalyzed Aziridine Cross-Coupling To Generate Quaternary Carbons.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02237","","","0.71073","MoKα","","0.0533","0.0377","","","0.0956","0.1065","","","","","","1.092","","","","has coordinates","251317","2020-10-21","18:00:00",""
"4134851","18.0821","0.0011","24.2024","0.0015","24.6475","0.0014","90","","110.073","0.004","90","","10131.3","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C124 H82 Cl6 -","- C124 H82 Cl6 -","- C496 H328 Cl24 -","4","1","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1996","0.1187","","","0.3055","0.347","","","","","","1.044","","","","has coordinates","251318","2020-10-21","18:00:00",""
"4134852","20.902","0.0008","20.9356","0.0008","22.3508","0.0008","71.185","0.002","88.023","0.002","83.811","0.002","9204","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C101.83 H64.83 Cl14.48 -","- C98.8265 H61.8265 Cl5.4795 -","- C395.306 H247.306 Cl21.918 -","4","2","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1247","0.1065","","","0.3295","0.3545","","","","","","1.044","","","","has coordinates","251319","2020-10-21","18:00:00",""
"4134853","38.384","0.003","15.8148","0.0013","32.575","0.003","90","","93.97","0.005","90","","19727","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C123 H116 N4 O7.5 -","- C113 H96 N4 O5 -","- C904 H768 N32 O40 -","8","1","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1416","0.0876","","","0.2435","0.2743","","","","","","1.005","","","","has coordinates","251320","2020-10-21","18:00:00",""
"4134854","24.943","0.005","25.029","0.005","48.678","0.01","90","","90","","90","","30390","11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C168 H277 N72 Pd12 -","- C168 H277 N72 Pd12 -","- C672 H1108 N288 Pd48 -","4","1","","Howlader, Prodip; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembly of Enantiopure Pd12 Tetrahedral Homochiral Nano-Cages with Tetrazole Linkers and Chiral Recognition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03551","","","0.7","synchrotron","","0.0732","0.0456","","","0.1106","0.1196","","","","","","0.928","","","","has coordinates","251364","2020-10-21","18:00:00",""
"4134855","14.765","0.005","16.931","0.003","22.655","0.003","90","","90","","90","","5663","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cu N -","- C37 H36 Cu N -","- C296 H288 Cu8 N8 -","8","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0399","0.0303","","","0.0805","0.0859","","","","","","1.035","","","","has coordinates","251365","2020-10-21","18:00:00",""
"4134856","11.549","0.002","14.169","0.007","21.429","0.004","73.816","0.01","89.477","0.015","88.83","0.03","3366.9","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 Cu N -","- C42 H46 Cu N -","- C168 H184 Cu4 N4 -","4","2","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0644","0.0452","","","0.1065","0.1185","","","","","","1.051","","","","has coordinates","251366","2020-10-21","18:00:00",""
"4134857","23.615","0.011","10.033","0.003","14.816","0.003","90","","90","","90","","3510","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H46 Cu N O3 -","- C41 H46 Cu N O3 -","- C164 H184 Cu4 N4 O12 -","4","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0455","0.0372","","","0.0843","0.088","","","","","","1.049","","","","has coordinates","251367","2020-10-21","18:00:00",""
"4134858","14.836","0.005","12.399","0.005","18.325","0.008","90","","98.24","0.02","90","","3336","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Cu N2 -","- C44 H39 Cu N2 -","- C176 H156 Cu4 N8 -","4","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0554","0.0413","","","0.105","0.1131","","","","","","1.036","","","","has coordinates","251368","2020-10-21","18:00:00",""
"4134859","10.565","0.007","10.704","0.006","12.752","0.007","92.177","0.01","95.452","0.01","116.018","0.018","1285","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Br Cu N -","- C32 H31 Br Cu N -","- C64 H62 Br2 Cu2 N2 -","2","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0611","0.0391","","","0.0926","0.1017","","","","","","1.03","","","","has coordinates","251369","2020-10-21","18:00:00",""
"4134860","9.793","0.005","10.8202","0.0016","18.064","0.003","97.741","0.011","97.949","0.007","105.42","0.03","1797.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H42 Cu N O2 -","- C47 H42 Cu N O2 -","- C94 H84 Cu2 N2 O4 -","2","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0456","0.0342","","","0.0789","0.0839","","","","","","1.027","","","","has coordinates","251370","2020-10-21","18:00:00",""
"4134861","12.0826","0.0002","11.9195","0.0002","16.5709","0.0003","90","","90","","90","","2386.52","0.07","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mn156Si36Nx","","","- Mn38.869 N0.841 Si9.131 -","- Mn38.869 N0.84 Si9.131 -","- Mn155.476 N3.36 Si36.524 -","4","0.5","","Peterson, Gordon G. C.; Berns, Veronica M.; Fredrickson, Daniel C.","Mn39Si9Nx: Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01716","","x-ray","0.71073","MoKα","","0.0839","0.0311","","","0.0569","0.0798","","","","0.96","0.96","1","","","","has coordinates","251371","2020-10-21","18:00:00",""
"4134862","19.8814","0.0014","5.9438","0.0004","21.4591","0.0015","90","","90","","90","","2535.8","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","wcp-8-165","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin","Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02654","","","0.71073","MoKα","","0.1168","0.0779","","","0.1224","0.1333","","","","","","1.164","","","","has coordinates","251372","2020-10-21","18:00:00",""
"4134863","7.604","0.0004","20.0492","0.0008","12.5383","0.0006","90","","97.511","0.001","90","","1895.11","0.15","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin","Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02654","","x-ray","0.71073","MoKα","","0.0782","0.0485","","","0.1082","0.1197","","","","","","1.025","","","","has coordinates","251373","2020-10-21","18:00:00",""
"4134864","12.714","0.003","7.5056","0.0016","13.686","0.003","90","","90.064","0.007","90","","1306","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.71073","MoKα","","0.1041","0.0784","","","0.1392","0.1483","","","","","","1.115","","","","has coordinates","251374","2020-10-21","18:00:00",""
"4134865","6.159","0.0012","8.188","0.0016","18.031","0.004","98.91","0.03","91.7","0.03","105.15","0.03","864.8","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl Ir N2 O3 -","- C18 H18 Cl Ir N2 O3 -","- C36 H36 Cl2 Ir2 N4 O6 -","2","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.65","synchrotron","","0.0342","0.0329","","","0.0888","0.0894","","","","","","1.13","","","","has coordinates","251375","2020-10-21","18:00:00",""
"4134866","16.063","0.003","9.074","0.0018","24.195","0.005","90","","90","","90","","3526.6","1.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O -","- C11 H11 N O -","- C176 H176 N16 O16 -","16","4","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.8","synchrotron","","0.1087","0.0598","","","0.1241","0.1464","","","","","","0.988","","","","has coordinates,has disorder","251376","2020-10-21","18:00:00",""
"4134867","7.571","0.0015","14.723","0.003","23.143","0.005","90","","90","","90","","2579.7","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl I2 Ir N O -","- C24 H29 Cl I2 Ir N O -","- C96 H116 Cl4 I8 Ir4 N4 O4 -","4","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.65","synchrotron","","0.0233","0.0214","","","0.0509","0.0514","","","","","","1.006","","","","has coordinates","251377","2020-10-21","18:00:00",""
"4134868","20.4511","0.0003","20.4511","0.0003","25.0437","0.0007","90","","90","","120","","9071.2","0.3","253","2","253","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C64 H128 La4 N32 O80 Rb4 -","- C68 H40 La4 N28 O79.9992 Rb4 -","- C204 H120 La12 N84 O239.998 Rb12 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0923","0.0878","","","0.1714","0.1732","","","","","","1.144","","","","has coordinates,has disorder","252617","2020-10-21","18:00:00",""
"4134869","14.502","","14.502","","14.502","","90","","90","","90","","3049.89","","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0604","0.0537","","","0.1398","0.1426","","","","","","1.231","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134870","14.549","","14.549","","14.549","","90","","90","","90","","3079.64","","350","2","350","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0616","0.0535","","","0.1382","0.1417","","","","","","1.107","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134871","20.5225","0.0005","20.5225","0.0005","25.052","0.0007","90","","90","","120","","9137.6","0.4","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C64 H128 La4 N33.33 O80 -","- C68 H40 La4 N32 O79.9992 -","- C204 H120 La12 N96 O239.998 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0789","0.0729","","","0.1843","0.1867","","","","","","1.583","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134872","14.5479","0.0001","14.5479","0.0001","14.5479","0.0001","90","","90","","90","","3078.94","0.04","353","2","353","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C16 H36 La N9 O20 -","- C14 H13 La N8 O19.9998 -","- C56 H52 La4 N32 O79.9992 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0558","0.0489","","","0.1298","0.1355","","","","","","1.088","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134873","11.3777","0.0002","6.86536","0.0001","11.42344","0.00018","90","","104.831","0.0017","90","","862.58","0.02","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H19 Br Cl F2 N O -","- C17 H19 Br Cl F2 N O -","- C34 H38 Br2 Cl2 F4 N2 O2 -","2","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.0545","0.0531","","","0.1528","0.1551","","","","","","1.168","","","","has coordinates","251379","2020-10-21","18:00:00",""
"4134874","18.0955","0.0002","18.0955","0.0002","10.6307","0.0001","90","","90","","120","","3014.63","0.05","100","2","100","2","","","","","","","","7","P 62","P 62","171","","","","- C14 H12 Br Cl F2 N4 O3 -","- C20 H20 Br Cl F2 N O1.77 -","- C120 H120 Br6 Cl6 F12 N6 O10.62 -","6","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.1111","0.1093","","","0.356","0.3658","","","","","","1.85","","","","has coordinates,has disorder","251380","2020-10-21","18:00:00",""
"4134875","8.5167","0.0002","18.5743","0.0004","13.0021","0.0002","90","","105.163","0.001","90","","1985.22","0.07","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O8 -","- C19 H29 N O8 -","- C76 H116 N4 O32 -","4","2","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","x-ray","1.54178","CuKα","","0.0255","0.0253","","","0.0683","0.0685","","","","","","1.053","","","","has coordinates","251409","2020-10-21","18:00:00",""
"4134876","11.707","0.002","19.744","0.004","11.109","0.002","90","","117.839","0.004","90","","2270.6","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N3 O2 Pt -","- C25 H31 N3 O2 Pt -","- C100 H124 N12 O8 Pt4 -","4","1","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","x-ray","0.71073","MoKα","","0.0552","0.0361","","","0.06","0.0643","","","","","","1.054","","","","has coordinates","251410","2020-10-21","18:00:00",""
"4134877","9.3492","0.0001","9.3492","0.0001","13.5555","0.0002","90","","90","","120","","1026.11","0.02","100","","100","","","","","","","","","3","P 31","P 31","144","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C39 H60 O12 -","3","1","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","","1.54178","CuKα","","0.0256","0.0253","","","0.0665","0.067","","","","","","1.065","","","","has coordinates","251411","2020-10-21","18:00:00",""
"4134878","9.8361","0.0002","21.0549","0.0004","13.1959","0.0002","90","","97.5578","0.0009","90","","2709.1","0.09","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 B N O4 -","- C30 H32 B N O4 -","- C120 H128 B4 N4 O16 -","4","2","","Li, Xiangyu; Hall, Dennis G.","Stereodivergent Asymmetric Synthesis of α,β-Disubstituted β-Aminoalkylboronic Acid Derivatives via Group-Selective Protodeboronation Enabling Access to the Elusive Anti Isomer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03207","","","1.54178","CuKα","","0.0623","0.059","","","0.1706","0.176","","","","","","1.04","","","","has coordinates,has disorder","251503","2020-10-21","18:00:00",""
"4134879","12.652","0.006","17.037","0.01","16.19","0.009","90","","112.834","0.011","90","","3216","3","338","2","338","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 D2 F12 N6 O8 S4 -","- C16 H24 D2 F12 N6 O8 S4 -","- C64 H96 D8 F48 N24 O32 S16 -","4","1","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.194","0.1479","","","0.4149","0.4492","","","","","","1.161","","","","has coordinates","251504","2020-10-21","18:00:00",""
"4134880","12.606","0.004","16.924","0.005","16.08","0.005","90","","112.775","0.005","90","","3163.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F12 N6 O8 S4 -","- C16 H26 F12 N6 O8 S4 -","- C64 H104 F48 N24 O32 S16 -","4","1","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.098","0.0798","","","0.1763","0.1868","","","","","","1.069","","","","has coordinates","251505","2020-10-21","18:00:00",""
"4134881","12.5","0.005","16.911","0.007","15.921","0.007","90","","112.905","0.005","90","","3100","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F6 N3 O4 S2 -","- C8 H13 F6 N3 O4 S2 -","- C64 H104 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.0739","0.0646","","","0.1597","0.1669","","","","","","1.042","","","","has coordinates","251506","2020-10-21","18:00:00",""
"4134882","12.542","0.004","16.952","0.006","15.994","0.005","90","","113.037","0.004","90","","3129.3","1.8","243","2","243","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H12 D F6 N3 O4 S2 -","- C8 H12 D F6 N3 O4 S2 -","- C64 H96 D8 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.1411","0.091","","","0.2375","0.2689","","","","","","0.917","","","","has coordinates","251507","2020-10-21","18:00:00",""
"4134883","31.9312","0.0017","11.0163","0.0006","15.5333","0.001","90","","97.144","0.002","90","","5421.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H45 Al Br N O Si2 -","- C23 H45 Al Br N O Si2 -","- C184 H360 Al8 Br8 N8 O8 Si16 -","8","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0895","0.0529","","","0.1057","0.1185","","","","","","1.053","","","","has coordinates","251754","2020-10-21","18:00:00",""
"4134884","11.3322","0.001","15.847","0.0014","16.6312","0.0015","88.823","0.002","71.777","0.002","73.126","0.002","2706.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Al K N O8 Si2 -","- C53 H81 Al K N O8 Si2 -","- C106 H162 Al2 K2 N2 O16 Si4 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1871","0.0641","","","0.0548","0.0686","","","","","","1.057","","","","has coordinates,has disorder","251755","2020-10-21","18:00:00",""
"4134885","12.1403","0.0006","12.5843","0.0007","16.9735","0.0008","82.54","0.002","77.864","0.002","63.527","0.002","2267.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H74 Al2 N2 Si4 -","- C41.5 H74 Al2 N2 Si4 -","- C83 H148 Al4 N4 Si8 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0951","0.0459","","","0.0847","0.0986","","","","","","0.997","","","","has coordinates,has disorder","251756","2020-10-21","18:00:00",""
"4134886","15.8845","0.0006","19.0232","0.0007","28.713","0.0012","90","","90","","90","","8676.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H70 Al K N2 O8 Si2 -","- C35 H70 Al K N2 O8 Si2 -","- C280 H560 Al8 K8 N16 O64 Si16 -","8","2","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.098","0.0691","","","0.1712","0.1875","","","","","","1.043","","","","has coordinates,has disorder","251757","2020-10-21","18:00:00",""
"4134887","12.363","0.008","17.201","0.011","21.419","0.011","90","","90","","90","","4555","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H73 Al B2 K N O8 Si2 -","- C35 H73 Al B2 K N O8 Si2 -","- C140 H292 Al4 B8 K4 N4 O32 Si8 -","4","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0904","0.0537","","","0.0983","0.1109","","","","","","1.002","","","","has coordinates,has disorder","251758","2020-10-21","18:00:00",""
"4134888","13.286","0.011","13.384","0.011","14.255","0.012","93.101","0.018","97.062","0.015","91.57","0.03","2510","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H74 Al K N O8 Si3 -","- C41 H75 Al K N O8 Si3 -","- C82 H150 Al2 K2 N2 O16 Si6 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1794","0.0666","","","0.0895","0.1175","","","","","","1","","","","has coordinates,has disorder","251759","2020-10-21","18:00:00",""
"4134889","11.3793","0.0006","13.5186","0.0005","27.8039","0.0014","90","","98.587","0.002","90","","4229.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H67 Al K N O8 Si2 -","- C35 H67 Al K N O8 Si2 -","- C140 H268 Al4 K4 N4 O32 Si8 -","4","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1381","0.058","","","0.1056","0.1331","","","","","","1.004","","","","has coordinates,has disorder","251760","2020-10-21","18:00:00",""
"4134890","8.0268","0.0002","23.535","0.0006","16.7335","0.0005","90","","97.682","0.003","90","","3132.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Bi N2 O10 -","- C32 H30 Bi N2 O10 -","- C128 H120 Bi4 N8 O40 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0838","0.0491","","","0.0964","0.113","","","","","","1.058","","","","has coordinates","251761","2020-10-21","18:00:00",""
"4134891","7.9251","0.0009","12.738","0.0014","16.6928","0.0019","74.195","0.003","86.514","0.003","82.047","0.003","1605.4","0.3","206","2","206","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cu N2 O10 -","- C32 H31 Cu N2 O10 -","- C64 H62 Cu2 N4 O20 -","2","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0895","0.0773","","","0.2033","0.2086","","","","","","1.18","","","","has coordinates,has disorder","251762","2020-10-21","18:00:00",""
"4134892","16.696","0.004","21.624","0.005","16.696","0.004","90","","120","","90","","5220","2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H112 Fe4 N4 O24 -","- C120 H112 Fe4 N4 O24 -","- C240 H224 Fe8 N8 O48 -","2","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.2383","0.1765","","","0.3935","0.4497","","","","","","1.285","","","","has coordinates","251763","2020-10-21","18:00:00",""
"4134893","29.1139","0.0009","16.3925","0.0005","11.4361","0.0003","90","","99.919","0.002","90","","5376.3","0.3","100.01","0.17","100.01","0.17","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 N2 O14 Zn2 -","- C52 H44 N2 O14 Zn2 -","- C208 H176 N8 O56 Zn8 -","4","0.5","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","x-ray","1.54184","CuKα","","0.0483","0.0463","","","0.1532","0.156","","","","","","1.144","","","","has coordinates,has disorder","251764","2020-10-21","18:00:00",""
"4134894","12.8598","0.0008","29.261","0.0014","13.8247","0.0007","90","","103.98","0.006","90","","5048","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cu N O6 -","- C26 H20 Cu N O6 -","- C208 H160 Cu8 N8 O48 -","8","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","1.54184","CuKα","","0.1225","0.1199","","","0.3179","0.3203","","","","","","1.09","","","","has coordinates","251765","2020-10-21","18:00:00",""
"4134895","29.1661","0.0014","16.1141","0.0007","13.9552","0.0006","90","","98.847","0.001","90","","6480.7","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H58 Fe4 N4 O20 -","- C64 H58 Fe4 N4 O20 -","- C256 H232 Fe16 N16 O80 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0626","0.0416","","","0.0966","0.1051","","","","","","1.075","","","","has coordinates","251766","2020-10-21","18:00:00",""
"4134896","29.075","0.006","16.016","0.004","13.826","0.003","90","","98.39","0.005","90","","6369","2","297","2","297","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H58 Co4 N4 O20 -","- C64 H58 Co4 N4 O20 -","- C256 H232 Co16 N16 O80 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.2717","0.1667","","","0.3598","0.4025","","","","","","1.107","","","","has coordinates","251767","2020-10-21","18:00:00",""
"4134897","16.5927","0.0019","16.5927","0.0019","22.318","0.005","90","","90","","90","","6144.5","1.7","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C12 H6 N1.5 O2 Pd0.25 Zn0.5 -","- C12 H6 N1.5 O2 Pd0.25 Zn0.5 -","- C48 H24 N6 O8 Pd Zn2 -","4","0.25","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.159","0.1238","","","0.3295","0.3715","","","","","","1.052","","","","has coordinates","251768","2020-10-21","18:00:00",""
"4134898","16.6421","0.0008","16.6421","0.0008","16.1146","0.0015","90","","90","","90","","4463.1","0.5","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","1","0.0625","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.0747","0.0625","","","0.1752","0.185","","","","","","1.06","","","","has coordinates","251769","2020-10-21","18:00:00",""
"4134899","7.8815","0.0011","15.761","0.002","33.58","0.005","90","","93.75","0.004","90","","4162.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O6 Pd0.5 Zn -","- C36 H24 N4 O6 Pd0.5 Zn -","- C144 H96 N16 O24 Pd2 Zn4 -","4","1","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.0917","0.0553","","","0.1153","0.1251","","","","","","1.04","","","","has coordinates,has disorder","251770","2020-10-21","18:00:00",""
"4134900","11.0535","0.0008","13.1232","0.0008","12.7009","0.0009","90","","108.368","0.002","90","","1748.5","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F6 I O2 -","- C16 H17 F6 I O2 -","- C64 H68 F24 I4 O8 -","4","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0544","0.0378","","","0.0749","0.09","","","","","","1.298","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134901","16.2807","0.0004","12.2181","0.0002","21.3944","0.0004","90","","90","","90","","4255.76","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18.5 H14 Cl F6 I O2 -","- C18.501 H14.002 Cl1.002 F6 I O2 -","- C148.008 H112.016 Cl8.016 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.1518","0.088","","","0.1499","0.174","","","","","","1.104","","","","has coordinates,has disorder","252607","2020-10-21","18:00:00",""
"4134902","7.442","0.0003","11.8848","0.0005","12.5542","0.0005","116.944","0.0013","95.0969","0.0014","102.62","0.0015","943.14","0.07","174","2","174","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 F6 I O2 Si -","- C15 H17 F6 I O2 Si -","- C30 H34 F12 I2 O4 Si2 -","2","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0411","0.0302","","","0.0512","0.0556","","","","","","1.064","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134903","15.095","0.0004","12.5082","0.0003","20.9361","0.0005","90","","105.178","0.0009","90","","3815.08","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F6 I O2 -","- C19 H15 F6 I O2 -","- C152 H120 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0632","0.0431","","","0.0606","0.0657","","","","","","1.136","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134904","8.7791","0.0003","11.6967","0.0004","18.8185","0.0006","82.514","0.003","79.563","0.002","81.077","0.002","1867.02","0.11","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H38 Cl F6 N6 O3 P Ru -","- C37 H38 Cl F6 N6 O3 P Ru -","- C74 H76 Cl2 F12 N12 O6 P2 Ru2 -","2","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.088","0.0692","","","0.1684","0.1793","","","","","","1.059","","","","has coordinates","251776","2020-10-21","18:00:00",""
"4134905","17.6809","0.0003","13.9926","0.0002","30.1337","0.0005","90","","90","","90","","7455.1","0.2","100","2","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C256 H250.8 Cl16 F96 N48 O8 P16 Ru8 -","8","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0842","0.0698","","","0.1434","0.1487","","","","","","1.206","","","","has coordinates,has disorder","251777","2020-10-21","18:00:00",""
"4134906","11.039","0.0002","24.302","0.0005","13.6393","0.0003","90","","98.537","0.001","90","","3618.47","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 F12 N6 O P2 Ru -","- C36 H28 F12 N6 O P2 Ru -","- C144 H112 F48 N24 O4 P8 Ru4 -","4","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0345","0.0303","","","0.0714","0.0736","","","","","","1.043","","","","has coordinates,has disorder","251778","2020-10-21","18:00:00",""
"4134907","24.8897","0.0002","50.19","0.0003","90.1828","0.0004","90","","90","","90","","112658","1.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C438 H420 Cd6 F36 N60 O60 S12 -","- C433.71 H420 Cd6 F23.13 N60 O47.13 S7.71 -","- C3469.68 H3360 Cd48 F185.04 N480 O377.04 S61.68 -","8","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1742","0.1488","","","0.3915","0.4093","","","","","","1.172","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134908","22.9361","0.0015","23.5657","0.0015","48.429","0.003","90.316","0.002","93.473","0.002","99.963","0.002","25731","3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C246.5 H171.75 Cd4 F24 N41.25 O36 S8 -","- C245.204 H170.25 Cd4 F20.1135 N41.25 O32.1135 S6.7045 -","- C980.818 H681 Cd16 F80.454 N165 O128.454 S26.818 -","4","2","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","1.54178","CuKα","","0.1323","0.0948","","","0.2524","0.2837","","","","","","1.007","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134909","18.925","0.004","19.158","0.004","48.752","0.01","90","","93.26","0.03","90","","17647","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C164 H117 F24 Fe2 N25 O16 S8 -","- C161.946 H117 F17.838 Fe2 N23.968 O11.892 S5.946 -","- C647.784 H468 F71.352 Fe8 N95.872 O47.568 S23.784 -","4","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1659","0.1303","","","0.3425","0.3686","","","","","","1.012","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134910","42.315","0.006","42.315","0.006","19.337","0.004","90","","90","","120","","29985","9","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C1035.09 H966.6 F108 N113.76 O212.85 Ru36 S36 -","9","1","","Singh, Jatinder; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Hadiputra, Rizky; Jung, Jaehoon; Chi, Ki-Whan","The first quantitative synthesis of a closed three‒link chain (6<sup>3</sup><sub>1</sub>) using coordination and non-covalent interactions‒driven self‒assembly.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01406","","","0.7","synchrotron","","0.0875","0.0846","","","0.2272","0.2367","","","","","","1.037","","","","has coordinates","251818","2020-10-21","18:00:00",""
"4134911","5.8373","0.0003","8.5386","0.0005","47.775","0.003","90","","90","","90","","2381.2","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","","Dong, Xiao-Yang; Cheng, Jiang-Tao; Zhang, Yu-Feng; Li, Zhong-Liang; Zhan, Tian-Ya; Chen, Ji-Jun; Wang, Fu-Li; Yang, Ning-Yuan; Ye, Liu; Gu, Qiang-Shuai; Liu, Xin-Yuan","Copper-Catalyzed Asymmetric Radical 1,2-Carboalkynylation of Alkenes with Alkyl Halides and Terminal Alkynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03130","","x-ray","1.54178","CuKα","","0.0254","0.0253","","","0.0639","0.064","","","","","","1.067","","","","has coordinates","251854","2020-10-21","18:00:00",""
"4134912","8.983","0.0005","12.8241","0.0007","24.4677","0.0016","90","","90","","90","","2818.7","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 O2 S -","- C32 H28 Cl N3 O2 S -","- C128 H112 Cl4 N12 O8 S4 -","4","1","","Whyte, Andrew; Torelli, Alexa; Mirabi, Bijan; Prieto, Liher; Rodríguez, José F; Lautens, Mark","Cobalt-Catalyzed Enantioselective Hydroarylation of 1,6-Enynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03246","","","0.71073","MoKα","","0.0578","0.0359","","","0.0758","0.0849","","","","","","1.023","","","","has coordinates","251855","2020-10-21","18:00:00",""
"4134913","10.17","0.005","18.68","0.005","10.35","0.005","90","","101.22","0.05","90","","1928.7","1.5","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H15 Cu N3 O5 -","- C17 H15 Cu N3 O5 -","- C68 H60 Cu4 N12 O20 -","4","0.5","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.0592","0.0566","","","0.1754","0.1785","","","","","","1.125","","","","has coordinates,has disorder","252609","2020-10-21","18:00:00",""
"4134914","17.29","0.005","17.43","0.005","24.11","0.005","90","","91.22","0.05","90","","7264","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10.5 H6 O4.5 Tb0.75 -","- C10.5 H6 O4.5 Tb0.75 -","- C168 H96 O72 Tb12 -","16","4","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.044","0.042","","","0.1244","0.1262","","","","","","1.091","","","","has coordinates","252609","2020-10-21","18:00:00",""
"4134915","6.9388","0.0002","15.0508","0.0003","32.586","0.0008","90","","90","","90","","3403.1","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br Cl N3 O -","- C17 H17 Br Cl N3 O -","- C136 H136 Br8 Cl8 N24 O8 -","8","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0585","0.0459","","","0.0949","0.0996","","","","","","1.047","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134916","7.0227","0.0003","15.3766","0.0006","15.8486","0.0006","90","","99.589","0.003","90","","1687.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Br Cl N3 O -","- C16 H21 Br Cl N3 O -","- C64 H84 Br4 Cl4 N12 O4 -","4","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0668","0.0648","","","0.1692","0.1712","","","","","","1.159","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134917","9.7525","0.0002","10.9189","0.0002","11.7345","0.0002","115.117","0.0011","96.8758","0.0012","106.146","0.0011","1045.39","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H24 Br F3 O2 Si -","- C19.9995 H24 Br F2.9985 O2 Si -","- C39.999 H48 Br2 F5.997 O4 Si2 -","2","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0247","0.0234","","","0.0582","0.0587","","","","","","1.029","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134918","31.216","0.003","8.4388","0.0008","8.5385","0.0008","90","","93.3905","0.0017","90","","2245.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H28 Br Cl N3 O1.5 -","- C23 H28 Br Cl N3 O1.5 -","- C92 H112 Br4 Cl4 N12 O6 -","4","1","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0377","0.0327","","","0.0621","0.0636","","","","","","1.042","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134919","21.8423","0.0005","21.8423","0.0005","39.3731","0.0018","90","","90","","90","","18784.4","1.1","291.1","0.1","291.1","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H33 Co4.5 N4 O17.5 -","- C55 H33 Co4.5 N4 O17.5 -","- C440 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71","MoKα","","0.1809","0.097","","","0.2283","0.2793","","","","","","0.92","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134920","21.8132","0.0001","21.8132","0.0001","39.0403","0.0009","90","","90","","90","","18576","0.4","273","2","273.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","b","","- C54 H32 Co4.5 N5 O17.5 -","- C54 H32 Co4.5 N5 O17.5 -","- C432 H256 Co36 N40 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","","0.71073","MoKα","","0.0878","0.0736","","","0.2146","0.2293","","","","","","1.123","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134921","21.7735","0.0005","21.7735","0.0005","39.2031","0.0016","90","","90","","90","","18585.6","1","294.08","0.17","294.08","0.17","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C52 H30 Co4.5 N7 O17.5 -","- C52 H30 Co4.5 N7 O17.5 -","- C416 H240 Co36 N56 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1544","0.0903","","","0.2385","0.2754","","","","","","0.943","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134922","21.8598","0.0003","21.8598","0.0003","39.3559","0.0011","90","","90","","90","","18806.3","0.6","293.6","0.4","293.6","0.4","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C58 H40 Co4.5 N4 O17.5 -","- C58 H40 Co4.5 N4 O17.5 -","- C464 H320 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1795","0.1208","","","0.311","0.3637","","","","","","1.09","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134923","21.8545","0.0003","21.8545","0.0003","39.3775","0.0009","90","","90","","90","","18807.4","0.6","100","0.1","100","0.1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C440 H188 Co36 F32 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1564","0.1049","","","0.2766","0.3256","","","","","","1.053","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134924","21.9069","0.0004","21.9069","0.0004","39.6456","0.0013","90","","90","","90","","19026.4","0.8","293.26","0.16","293.26","0.16","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C57 H33 Co4.5 N4 O17.5 -","- C57 H33 Co4.5 N4 O17.5 -","- C456 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1149","0.0922","","","0.2674","0.2939","","","","","","1.059","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134925","21.9081","0.0004","21.9081","0.0004","39.4769","0.0013","90","","90","","90","","18947.5","0.8","294.1","0.6","294.1","0.6","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C440 H248 Br4 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.228","0.1278","","","0.313","0.4049","","","","","","0.999","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134926","21.6973","0.0005","21.6973","0.0005","39.0746","0.0019","90","","90","","90","","18395.3","1.1","292.17","0.1","292.17","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H34 N4 Ni4.5 O17.5 -","- C55 H33 N4 Ni4.5 O17.5 -","- C440 H264 N32 Ni36 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1853","0.0915","","","0.2244","0.2854","","","","","","0.885","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134927","22.596","0.003","15.3727","0.0018","25.369","0.003","90","","116.2","0.001","90","","7906.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Plutonium(IV) benzoate chain","","","- C84 H60 O24 Pu3 -","- C84 H60 O24 Pu3 -","- C336 H240 O96 Pu12 -","4","1","","Hastings, Ashley; Ray, Debmalya; Jeong, WooSeok; Gagliardi, Laura; Farha, Omar K.; Hixon, Amy E.","Advancement of Actinide Metal-Organic Framework Chemistry via Synthesis of Pu-UiO-66.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01895","","","0.71073","MoKα","","0.0765","0.0451","","","0.094","0.1072","","","","","","1.053","","","","has coordinates,has disorder","251864","2020-10-21","18:00:00",""
"4134928","19.1389","0.0002","10.964","0.0001","7.0851","0.0001","90","","90","","90","","1486.73","0.03","100","2","100","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","0.5","","Torresi, Stefano; Famulari, Antonino; Marti-Rujas, Javier","Kinetically controlled fast crystallization of M12L8 poly-[n]-catenanes using the 2,4,6-tris(4-pyridyl)benzene ligand and ZnCl2 in aromatic environment.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03319","","","0.72931","Synchrotron","","0.041","0.0407","","","0.1148","0.1151","","","","","","1.122","","","","has coordinates","251915","2020-10-21","18:00:00",""
"4134929","7.0496","0.0004","7.3004","0.0004","12.5978","0.0006","95.981","0.001","91.257","0.001","103.049","0.002","627.47","0.06","150","2","150","2","","","","","","","synthesized Dr. Carina Santos Hurtado","5","P -1","-P 1","2","","","","- C12 H7 Cl2 I N2 -","- C12 H7 Cl2 I N2 -","- C24 H14 Cl4 I2 N4 -","2","1","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0174","0.017","","","0.0384","0.0386","","","","","","1.149","","","","has coordinates","251916","2020-10-21","18:00:00",""
"4134930","6.9334","0.0005","20.6646","0.0016","9.3354","0.0007","90","","91.617","0.003","90","","1337.01","0.17","150","2","150","2","","","","","","","synthesized by Dr. Guillaume Bastien","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F3 Hg O2 -","- C13 H15 F3 Hg O2 -","- C52 H60 F12 Hg4 O8 -","4","1","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0379","0.03","","","0.0658","0.0686","","","","","","1.099","","","","has coordinates","251917","2020-10-21","18:00:00",""
"4134931","16.9364","0.0006","18.8622","0.0006","16.6935","0.0006","90","","90","","90","","5332.9","0.3","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","I b a 2","I 2 -2c","45","","","","- C14 H21 N O -","- C14 H21 N O -","- C224 H336 N16 O16 -","16","2","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","1.54178","CuKα","","0.0386","0.0367","","","0.0948","0.0964","","","","","","1.056","","","","has coordinates,has disorder","251918","2020-10-21","18:00:00",""
"4134932","7.2162","0.001","7.3078","0.0011","12.8297","0.0015","90","","100.577","0.005","90","","665.07","0.16","150","2","150","2","","","","","","","synthesized by Dr. Carina Santos Hurtado","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl4 N2 O2 -","- C12 H6 Cl4 N2 O2 -","- C24 H12 Cl8 N4 O4 -","2","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0434","0.0311","","","0.0714","0.076","","","","","","1.078","","","","has coordinates","251919","2020-10-21","18:00:00",""
"4134933","19.8411","0.0011","15.7283","0.0009","5.9355","0.0003","90","","90","","90","","1852.27","0.17","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","P n m a","-P 2ac 2n","62","","","","- C20 H25 I N2 -","- C20.5 H25 I N2 -","- C82 H100 I4 N8 -","4","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0324","0.0273","","","0.0567","0.0588","","","","","","1.113","","","","has coordinates,has disorder","251920","2020-10-21","18:00:00",""
"4134934","6.2193","0.0003","9.1548","0.0006","13.0735","0.0007","108.089","0.002","95.389","0.002","100.572","0.002","686.43","0.07","150","2","150","2","","","","","","","synthesized by Dr. Guillaume Bastien","5","P -1","-P 1","2","","","","- C24 H32 Cl6 N2 O2 -","- C24 H32 Cl6 N2 O2 -","- C24 H32 Cl6 N2 O2 -","1","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0401","0.0362","","","0.0965","0.0993","","","","","","1.04","","","","has coordinates","251921","2020-10-21","18:00:00",""
"4134935","6.8955","0.0002","15.5594","0.0004","21.9079","0.0006","90","","90","","90","","2350.5","0.11","100.01","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5S*,10R*,12R*,14S*)-6-chloro-2-methyl-5,10-dihydro-1H-5,10-[2,3]epoxireno[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C104 H80 Cl8 N24 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0418","0.0335","","","0.0788","0.0826","","","","","","1.099","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134936","24.6871","0.0011","6.8296","0.0003","21.0493","0.0009","90","","119.699","0.001","90","","3082.8","0.2","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(5R*,11S*,12S*,14R*)-4-chloro-8-methyl-2-(trifluoromethyl)-5,11-dihydro-7H-11,5-[2,3]epoxirenopyrido[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-7,9(8H)-dione","","- C13.5 H9 Cl2 F3 N4 O3 -","- C13.5 H9 Cl2 F3 N4 O3 -","- C108 H72 Cl16 F24 N32 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0294","0.0283","","","0.073","0.074","","","","","","1.038","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134937","7.8858","0.0002","6.0451","0.0002","8.4347","0.0003","90","","114.305","0.001","90","","366.45","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","benzo[d]oxepine","","- C10 H8 O -","- C10 H8 O -","- C20 H16 O2 -","2","0.5","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.043","0.0421","","","0.112","0.1126","","","","","","1.166","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134938","7.5594","0.0007","15.3365","0.0014","7.7117","0.0007","90","","98.206","0.002","90","","884.9","0.14","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1aR*,2S*,8R*,8aS*)-5-methyl-1a,2,8,8a-tetrahydro-4H-2,8-ethenooxireno[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-4,6(5H)-dione","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0469","0.0418","","","0.1242","0.1306","","","","","","1.036","","","","has coordinates","257115","2020-10-21","18:00:00",""
"4134939","15.658","0.003","16.014","0.003","24.347","0.004","78.975","0.002","77.363","0.002","82.456","0.003","5821.6","1.8","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H190 Gd2 K2 N8 O19 Si12 -","- C76 H190 Gd2 K2 N8 O19 Si12 -","- C152 H380 Gd4 K4 N16 O38 Si24 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0739","0.0465","","","0.1014","0.1129","","","","","","1.041","","","","has coordinates,has disorder","251949","2020-10-21","18:00:00",""
"4134940","15.437","0.002","16.218","0.002","26.133","0.003","102.911","0.0017","96.0143","0.0017","104.664","0.0017","6078.5","1.3","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H200 K2 N12 O14 Si12 Tb2 -","- C80 H200 K2 N12 O14 Si12 Tb2 -","- C160 H400 K4 N24 O28 Si24 Tb4 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.052","0.0334","","","0.0608","0.0664","","","","","","1.012","","","","has coordinates","251950","2020-10-21","18:00:00",""
"4134941","26.421","0.003","30.378","0.004","17.244","0.002","90","","90.8796","0.0017","90","","13839","3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 Gd K N4 O6 Si8 -","- C48 H120 Gd K N4 O6 Si8 -","- C384 H960 Gd8 K8 N32 O48 Si64 -","8","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0661","0.0556","","","0.1373","0.1452","","","","","","1.04","","","","has coordinates,has disorder","251951","2020-10-21","18:00:00",""
"4134942","12.6104","0.0011","20.7558","0.0017","16.9683","0.0014","90","","93.7131","0.0011","90","","4431.9","0.6","88","2","88","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H146 Gd2 K N7 O7 Si10 -","- C58 H146 Gd2 K N7 O7 Si10 -","- C116 H292 Gd4 K2 N14 O14 Si20 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0352","0.0333","","","0.0846","0.0862","","","","","","1.068","","","","has coordinates","251952","2020-10-21","18:00:00",""
"4134943","15.237","0.003","20.708","0.005","21.341","0.005","75.118","0.003","79.221","0.003","76.734","0.003","6275","2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H210 Gd2 K2 N12 O15 Si12 -","- C84 H210 Gd2 K2 N12 O15 Si12 -","- C168 H420 Gd4 K4 N24 O30 Si24 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0515","0.0362","","","0.0794","0.0864","","","","","","1.026","","","","has coordinates,has disorder","251953","2020-10-21","18:00:00",""
"4134944","13.1985","0.0006","7.991","0.0004","21.6147","0.001","90","","107.357","0.001","90","","2175.88","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cl N O Rh -","- C23 H33 Cl N O Rh -","- C92 H132 Cl4 N4 O4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.0382","0.0322","","","0.0802","0.0835","","","","","","1.065","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134945","12.8238","0.0007","7.5442","0.0004","17.2155","0.001","90","","102.9","0.002","90","","1623.48","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N Rh -","- C19 H26 N Rh -","- C76 H104 N4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.1006","0.0615","","","0.1065","0.1188","","","","","","1.072","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134946","13.5272","0.0006","7.7023","0.0003","18.0407","0.0008","90","","111.505","0.001","90","","1748.82","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N Rh -","- C21 H28 N Rh -","- C84 H112 N4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.0447","0.035","","","0.083","0.0879","","","","","","1.083","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134947","8.6741","0.0002","9.5339","0.0002","10.0675","0.0002","99.45","0.001","109.73","0.001","90.874","0.001","770.81","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 Rh2 -","- C38 H48 N2 Rh2 -","- C38 H48 N2 Rh2 -","1","0.5","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","1.54178","CuKα","","0.0188","0.0186","","","0.0502","0.0505","","","","","","1.069","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134948","12.8596","0.0002","12.8714","0.0002","16.7648","0.0002","92.496","0.001","96.418","0.001","105.15","","2654.03","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 B F24 N2 Rh -","- C53 H40 B F24 N2 Rh -","- C106 H80 B2 F48 N4 Rh2 -","2","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","1.54178","CuKα","","0.0469","0.0469","","","0.1163","0.1163","","","","","","1.104","","","","has coordinates,has disorder","251954","2020-10-21","18:00:00",""
"4134949","5.9297","0.0004","9.0915","0.0006","19.9795","0.0014","90","","90","","90","","1077.09","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YCL2-14","","","- C10 H16 Br N O2 -","- C10 H16 Br N O2 -","- C40 H64 Br4 N4 O8 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.0342","0.0247","","","0.0521","0.0547","","","","","","1.031","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134950","12.8389","0.0005","11.5893","0.0004","11.69","0.0004","90","","90.6262","0.0012","90","","1739.3","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 Si -","- C15 H29 N O2 Si -","- C60 H116 N4 O8 Si4 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.045","0.0339","","","0.0843","0.0901","","","","","","1.029","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134951","30.5594","0.0014","30.5594","0.0014","25.331","0.003","90","","90","","120","","20487","3","173","","173","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C58 H38 I0 N0 O17 Zr3 -","- C58 H38 O17 Zr3 -","- C522 H342 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0845","0.0685","","","0.1814","0.204","","","","","","1.058","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134952","30.654","0.004","30.654","0.004","24.9","0.007","90","","90","","120","","20263","7","173","","173","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C42 H30 O17 Zr3 -","- C42 H30 O17 Zr3 -","- C378 H270 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0979","0.0543","","","0.1178","0.1356","","","","","","0.931","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134953","16.031","0.002","36.971","0.005","44.102","0.005","90","","90","","90","","26138","6","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O20 Zr3 -","- C56 H30 O20 Zr3 -","- C448 H240 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.1093","0.0764","","","0.1983","0.2325","","","","","","1.064","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134954","18.1834","0.0015","33.744","0.002","34.489","0.002","90","","90","","90","","21162","2","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O20 Zr3 -","- C40 H22 O20 Zr3 -","- C320 H176 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.0871","0.0547","","","0.172","0.1961","","","","","","1.128","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134955","13.2744","0.0003","14.5586","0.0004","16.0139","0.0005","74.834","0.003","76.745","0.002","81.664","0.002","2895.51","0.14","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 F6 N2 O13 -","- C58 H76 F6 N2 O13 -","- C116 H152 F12 N4 O26 -","2","1","","Tian, Chong; Fielden, Stephen D. P.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Single-Step Enantioselective Synthesis of Mechanically Planar Chiral [2]Rotaxanes Using a Chiral Leaving Group Strategy.","Journal of the American Chemical Society","2020","142","21","9803","9808","10.1021/jacs.0c03447","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.1093","0.1132","","","","","","1.046","","","","has coordinates,has disorder","252611","2020-10-21","18:00:00",""
"4134956","31.6505","0.0013","31.6505","0.0013","28.6511","0.0015","90","","90","","120","","24856.1","1.9","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","1","0.0833333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0971","0.0707","","","0.1967","0.2236","","","","","","1.026","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134957","35.9458","0.0006","35.9458","0.0006","28.285","0.0007","90","","90","","90","","36547.1","1.2","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C300 H348 Cu24 N36 O204 S24 -","- C300 H348 Cu24 N36 O204 S24 -","- C600 H696 Cu48 N72 O408 S48 -","2","0.125","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1094","0.0924","","","0.2624","0.298","","","","","","1.021","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134958","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134959","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0905","0.0721","","","0.2016","0.2275","","","","","","1.076","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134960","43.599","0.004","43.599","0.004","43.599","0.004","90","","90","","90","","82876","13","103","2","103","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C400 H280 Cu24 O272 S24 Zr24 -","- C399.974 H279.974 Cu24 O272 S24 Zr24 -","- C1599.9 H1119.9 Cu96 O1088 S96 Zr96 -","4","0.0208333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.2593","0.2023","","","0.5032","0.5595","","","","","","2.291","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134961","9.8817","0.0006","19.0615","0.0015","7.877","0.0005","90","","90","","90","","1483.71","0.17","190","2","189.96","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C22 H26 Cu F6 N4 O4 S2 Si -","- C22 H26 Cu F6 N4 O4 S2 Si -","- C44 H52 Cu2 F12 N8 O8 S4 Si2 -","2","0.125","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0751","0.0669","","","0.1928","0.2026","","","","","","1.078","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134962","19.04","0.004","9.9063","0.0018","15.835","0.003","90","","90","","90","","2986.7","1","193","2","193","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H28 Cu F6 N4 O6 S2 Si -","- C20 H28 Cu F6 N4 O6 S2 Si -","- C80 H112 Cu4 F24 N16 O24 S8 Si4 -","4","0.25","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0862","0.0752","","","0.239","0.2579","","","","","","1.08","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134963","8.9325","0.0002","10.847","0.0003","10.2984","0.0003","90","","96.103","0.001","90","","992.17","0.05","152","2","152","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C50 H48 O6 -","2","1","","Wang, Huanan; Luo, Hongwen; Zhang, Zhan-Ming; Zheng, Wei-Feng; Yin, Yu; Qian, Hui; Zhang, Junliang; Ma, Shengming","Pd-Catalyzed Enantioselective Syntheses of Trisubstituted Allenes via Coupling of Propargylic Benzoates with Organoboronic Acids.","Journal of the American Chemical Society","2020","142","21","9763","9771","10.1021/jacs.0c02876","","","1.54178","CuKα","","0.0324","0.0321","","","0.0905","0.0909","","","","","","1.113","","","","has coordinates","252614","2020-10-21","18:00:00",""
"4134964","19.7281","0.0008","15.4483","0.0009","30.7824","0.0013","90","","90","","90","","9381.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C65 H52 Cl2 N2 -","- C65 H52 Cl2 N2 -","- C520 H416 Cl16 N16 -","8","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1227","0.0669","","","0.1545","0.1903","","","","","","1.026","","","","has coordinates,has disorder","252098","2020-10-21","18:00:00",""
"4134965","9.9506","0.0004","11.7661","0.0005","12.7401","0.0006","105.8","0.002","95.355","0.002","105.473","0.002","1360.9","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H29 N -","- C40 H29 N -","- C80 H58 N2 -","2","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1125","0.0651","","","0.1383","0.1663","","","","","","1.023","","","","has coordinates","252099","2020-10-21","18:00:00",""
"4134966","10.8065","0.0005","12.0091","0.0006","12.1365","0.0005","76.3184","0.0016","82.9885","0.0017","84.3141","0.0019","1514.86","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H35 Cl2 N -","- C41 H35 Cl2 N -","- C82 H70 Cl4 N2 -","2","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1485","0.0813","","","0.2051","0.2515","","","","","","1.038","","","","has coordinates","252100","2020-10-21","18:00:00",""
"4134967","15.8416","0.0008","20.2505","0.001","15.2623","0.0008","90","","100.626","0.0017","90","","4812.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67.51 H54.04 Cl N2 -","- C67.518 H54.042 Cl N2 -","- C270.072 H216.168 Cl4 N8 -","4","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.155","0.0864","","","0.2371","0.288","","","","","","1.028","","","","has coordinates,has disorder","252101","2020-10-21","18:00:00",""
"4134968","18.7383","0.0003","11.5764","0.0003","22.1767","0.0005","90","","93.211","0.002","90","","4803.06","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","PTZ","","- C33 H21 N3 S -","- C33 H21 N3 S -","- C264 H168 N24 S8 -","8","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0698","0.0547","","","0.1433","0.1545","","","","","","1.063","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134969","6.8256","0.0004","12.4886","0.0008","14.5776","0.0009","92.607","0.005","93.237","0.005","105.501","0.005","1193.14","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H21 N3 O -","- C33 H21 N3 O -","- C66 H42 N6 O2 -","2","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0808","0.0533","","","0.1471","0.168","","","","","","1.037","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134970","16.6921","0.0002","24.5705","0.0004","30.887","0.0004","74.761","0.001","85.289","0.001","73.432","0.001","11714.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C242 H172 B F20 N10 O22 Pd2 -","- C242 H172 B F20 N10 O22 Pd2 -","- C484 H344 B2 F40 N20 O44 Pd4 -","2","1","","Kishida, Natsuki; Matsumoto, Kyosuke; Tanaka, Yuya; Akita, Munetaka; Sakurai, Hidehiro; Yoshizawa, Michito","Anisotropic Contraction of a Polyaromatic Capsule and Its Cavity-Induced Compression Effect.","Journal of the American Chemical Society","2020","142","21","9599","9603","10.1021/jacs.0c02932","","x-ray","1.54184","CuKα","","0.1638","0.1442","","","0.4296","0.4471","","","","","","1.819","","","","has coordinates,has disorder","252612","2020-10-21","18:00:00",""
"4134971","5.7339","0.0006","46.854","0.005","6.9754","0.0007","90","","96.287","0.006","90","","1862.7","0.3","298.08","","298.08","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F9 O2 S -","- C14 H12 Br F9 O2 S -","- C56 H48 Br4 F36 O8 S4 -","4","2","","Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling","Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling.","Journal of the American Chemical Society","2020","142","21","9604","9611","10.1021/jacs.0c03708","","","1.54178","CuKα","","0.0857","0.0599","","","0.1517","0.1694","","","","","","1.04","","","","has coordinates,has disorder","252616","2020-10-21","18:00:00",""
"4134972","12.8696","0.0002","12.8696","0.0002","27.1408","0.0006","90","","90","","120","","3892.99","0.12","123.15","","123.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H5 Al0.333 F5 O0.333 P0.333 -","- C8 H5 Al0.333333 F5 O0.333333 P0.333333 -","- C144 H90 Al6 F90 O6 P6 -","18","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0778","0.0783","","","","","","1.0423","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134973","10.7445","0.0002","13.4502","0.0002","21.5779","0.0003","102.082","0.0014","99.1286","0.0014","109.539","0.0016","2783.81","0.09","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H46 Al Cu F15 N2 O2 P -","- C45 H46 Al Cu F15 N2 O2 P -","- C90 H92 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0437","0.0417","","","0.1177","0.1194","","","","","","1.0344","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134974","10.7379","0.0001","13.4792","0.0002","21.5394","0.0002","102.294","0.001","98.951","0.001","108.873","0.001","2796.08","0.06","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H48 Al Cu F15 N2 O2 P -","- C45 H48 Al Cu F15 N2 O2 P -","- C90 H96 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0456","0.0426","","","0.1218","0.1247","","","","","","1.0271","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134975","12.4894","0.0002","19.8533","0.0003","19.8687","0.0004","90","","104.524","0.002","90","","4769.12","0.15","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Al Cu F15 N2 O2 P -","- C39 H34 Al Cu F15 N2 O2 P -","- C156 H136 Al4 Cu4 F60 N8 O8 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0513","0.0463","","","0.1293","0.1347","","","","","","1.0194","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134976","10.6515","0.0003","12.2115","0.0003","18.7731","0.0005","77.285","0.002","87.441","0.002","77.196","0.002","2322.7","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 Al F15 N2 O P -","- C48 H45 Al F15 N2 O P -","- C96 H90 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0662","0.0507","","","0.1343","0.1431","","","","","","1.0251","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134977","10.7276","0.0003","12.1842","0.0003","18.7183","0.0005","77.186","0.002","87.431","0.002","77.69","0.002","2330.83","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Al F15 N2 O P -","- C48 H47 Al F15 N2 O P -","- C96 H94 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0661","0.0495","","","0.1292","0.1393","","","","","","1.0327","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134978","23.7593","0.0003","13.3807","0.0002","21.4965","0.0003","90","","90","","90","","6834.08","0.16","123.15","","123.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H108 Cu2 N4 O6 P2 -","- C62 H108 Cu2 N4 O6 P2 -","- C248 H432 Cu8 N16 O24 P8 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0905","0.0805","","","0.2384","0.2845","","","","","","1.2656","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134979","10.478","0.0001","19.7596","0.0001","21.5187","0.0002","90","","103.503","0.001","90","","4332.1","0.06","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Al F15 N2 O P -","- C44 H40 Al F15 N2 O P -","- C176 H160 Al4 F60 N8 O4 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0775","0.0786","","","","","","1.0385","","","","has coordinates,has disorder","252620","2020-10-21","18:00:00",""
"4134980","11.6018","0.0002","19.0189","0.0004","19.6291","0.0004","70.363","0.002","79.054","0.002","89.263","0.002","3999.03","0.15","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H70 Al2 F30 N4 O2 P2 -","- C78 H70 Al2 F30 N4 O2 P2 -","- C156 H140 Al4 F60 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0374","0.0334","","","0.087","0.0894","","","","","","1.045","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134981","19.1617","0.0002","19.1616","0.0002","38.3323","0.0004","90","","90","","90","","14074.4","0.3","123.15","","123.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H83 Al Cu F15 N4 O3 P2 -","- C68 H83 Al Cu F15 N4 O3 P2 -","- C544 H664 Al8 Cu8 F120 N32 O24 P16 -","8","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0506","0.041","","","0.1003","0.1054","","","","","","1.0415","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134982","13.1271","0.0013","29.4891","0.0016","13.6529","0.0012","90","","115.889","0.011","90","","4754.7","0.8","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 Al Cu F15 N2 O -","- C50 H41 Al Cu F15 N2 O -","- C200 H164 Al4 Cu4 F60 N8 O4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.1029","0.0768","","","0.1737","0.1888","","","","","","1.09","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134983","9.6259","0.0002","12.1938","0.0003","16.5765","0.0004","106.815","0.002","91.023","0.002","96.979","0.002","1845.82","0.08","123.15","","123.15","","","","","","","","","9","P -1","-P 1","2","","","","- C33 H34 Al Br Cu F10 N2 O2 P -","- C33 H34 Al Br Cu F10 N2 O2 P -","- C66 H68 Al2 Br2 Cu2 F20 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.028","0.0266","","","0.0678","0.0685","","","","","","1.0569","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134984","12.6447","0.0001","17.084","0.0001","13.2667","0.0001","90","","91.894","0.001","90","","2864.33","0.04","123.15","","123.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C92 H124 Al2 Br14 Cu8 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.0627","0.0635","","","","","","1.0429","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134985","7.0283","0.0016","16.024","0.004","12.874","0.003","90","","92.36","0.014","90","","1448.7","0.6","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu F6 N2 -","- C13 H11 Cu F6 N2 -","- C52 H44 Cu4 F24 N8 -","4","1","","Liu, Shuanshuan; Liu, He; Liu, Shihan; Lu, Zehai; Lu, Changhui; Leng, Xuebing; Lan, Yu; Shen, Qilong","C(sp<sup>3</sup>)-CF<sub>3</sub> Reductive Elimination from a Five-Coordinate Neutral Copper(III) Complex.","Journal of the American Chemical Society","2020","142","21","9785","9791","10.1021/jacs.0c03304","","","1.34139","GaKα","","0.1349","0.08","","","0.1985","0.2318","","","","","","1.036","","","","has coordinates","252596","2020-10-21","18:00:00",""
"4134986","12.2651","0.0007","21.5126","0.0012","23.1911","0.0013","102.299","0.002","91.505","0.002","90.837","0.002","5975.3","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 F3 N6 O4 P S -","- C63 H78 F3 N6 O4 P S -","- C252 H312 F12 N24 O16 P4 S4 -","4","2","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0958","0.0823","","","0.1954","0.2043","","","","","","1.039","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134987","14.4315","0.0009","33.871","0.002","19.0779","0.0011","90","","98.973","0.002","90","","9211.3","1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H93 B F24 N7 O P -","- C96 H93 B F24 N7 O P -","- C384 H372 B4 F96 N28 O4 P4 -","4","1","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0842","0.0751","","","0.2072","0.2163","","","","","","1.027","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134988","8.7026","0.0008","19.539","0.002","8.1692","0.0008","90","","90","","90","","1389.1","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0545","0.038","","","0.1035","0.1111","","","","","","0.95","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134989","10.7896","0.0006","8.1584","0.0004","10.5876","0.0006","90","","90","","90","","931.98","0.09","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0523","0.0325","","","0.0932","0.1017","","","","","","1.044","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134990","27.464","0.009","6.5518","0.001","6.5518","0.001","90","","90","","90","","1178.9","0.5","423","2","423","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.2239","0.1715","","","0.4511","0.4769","","","","","","1.585","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134991","8.7688","0.0004","19.8584","0.0009","8.1528","0.0003","90","","90","","90","","1419.68","0.11","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H13 F I3 N Pb -","- C6 H13 F I3 N Pb -","- C24 H52 F4 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0458","0.0361","","","0.0995","0.1046","","","","","","1.056","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134992","8.5418","0.0006","26.836","0.002","10.0432","0.0006","90","","90","","90","","2302.2","0.3","343","2","343","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C48 H96 F16 I16 N8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0842","0.0706","","","0.2083","0.2233","","","","","","1.065","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134993","13.835","0.0014","9.9882","0.0007","8.5383","0.0008","90","","104.737","0.011","90","","1141.07","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0934","0.0721","","","0.1923","0.2031","","","","","","1.095","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134994","10.9328","0.0006","8.215","0.0005","10.4944","0.0005","90","","90","","90","","942.53","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H12 F I N -","- C6 H12 F I N -","- C24 H48 F4 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0531","0.0373","","","0.1216","0.1319","","","","","","1.117","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134995","10.3925","0.0008","8.0781","0.0006","23.3552","0.0019","90","","90","","90","","1960.7","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H12 F2 I N -","- C6 H12 F2 I N -","- C48 H96 F16 I8 N8 -","8","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0502","0.0355","","","0.0933","0.1017","","","","","","1.031","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134996","6.6369","0.0011","6.6369","0.0011","27.272","0.006","90","","90","","90","","1201.3","0.4","493","2","493","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 F2 I4 N Pb -","- C6 F2 I4 N Pb -","- C12 F4 I8 N2 Pb2 -","2","0.125","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.425","0.1909","","","0.4486","0.5254","","","","","","1.174","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134997","17.6169","0.0004","15.2269","0.0004","29.4261","0.0006","90","","102.281","0.001","90","","7712.9","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H96 O8 -","- C88 H96 O8 -","- C352 H384 O32 -","4","1","","Nogami, Juntaro; Tanaka, Yusuke; Sugiyama, Haruki; Uekusa, Hidehiro; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken","Enantioselective Synthesis of Planar Chiral Zigzag-Type Cyclophenylene Belts by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2020","142","21","9834","9842","10.1021/jacs.0c03684","","","1.54186","CuKα","","0.2105","0.1574","","","0.3985","0.4436","","","","","","1.34","","","","has coordinates,has disorder","252615","2020-10-21","18:00:00",""
"4134998","31.847","0.01","11.095","0.002","16.608","0.004","90","","93.41","0.015","90","","5858","3","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H78 Br2 Fe2 P6 -","- C55 H78 Br2 Fe2 P6 -","- C220 H312 Br8 Fe8 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.2344","0.1879","","","0.3848","0.4118","","","","","","1.072","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4134999","14.878","0.004","16.35","0.005","25.612","0.005","90","","90.577","0.015","90","","6230","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65 H100 Fe2 P6 -","- C65 H100 Fe2 P6 -","- C260 H400 Fe8 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0315","0.0296","","","0.0738","0.0749","","","","","","1.025","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135000","32.05","0.02","11.137","0.011","16.323","0.012","90","","94.19","0.03","90","","5811","8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H80 Fe2 N4 P6 -","- C55 H80 Fe2 N4 P6 -","- C220 H320 Fe8 N16 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","0.71073","MoKα","","0.102","0.0801","","","0.1846","0.197","","","","","","1.077","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135001","21.364","0.007","18.351","0.004","29.604","0.005","90","","90","","90","","11606","5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H92 Fe2 N2 P6 -","- C60 H92 Fe2 N2 P6 -","- C480 H736 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0883","0.0703","","","0.1317","0.1406","","","","","","1.134","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135002","18.123","0.003","17.599","0.003","18.209","0.002","90","","108.13","0.01","90","","5519.4","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H78 Fe2 N4 P6 -","- C55 H78 Fe2 N4 P6 -","- C220 H312 Fe8 N16 P24 -","4","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0836","0.0633","","","0.1696","0.1868","","","","","","1.061","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135003","30.198","0.015","24.87","0.008","20.882","0.013","90","","112.32","0.03","90","","14508","13","100.01","","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H77 Cl Fe2 N2 P6 -","- C55 H77 Cl Fe2 N2 P6 -","- C440 H616 Cl8 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.2311","0.1024","","","0.223","0.2889","","","","","","0.897","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135004","10.82397","0.00012","16.16979","0.00018","32.6888","0.0004","90","","96.6693","0.0011","90","","5682.52","0.11","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 B2 Li2 O9 -","- C64 H80 B2 Li2 O9 -","- C256 H320 B8 Li8 O36 -","4","1","","Sato, Yukiya; Nakamura, Kei; Sumida, Yuto; Hashizume, Daisuke; Hosoya, Takamitsu; Ohmiya, Hirohisa","Generation of Alkyl Radical through Direct Excitation of Boracene-Based Alkylborate.","Journal of the American Chemical Society","2020","142","22","9938","9943","10.1021/jacs.0c04456","","","0.71073","MoKα","","0.057","0.0456","","","0.1082","0.1152","","","","","","1.029","","","","has coordinates,has disorder","257108","2020-10-21","18:00:00",""
"4135005","13.1945","0.0013","10.7243","0.0011","15.7972","0.0014","90","","92.336","0.004","90","","2233.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B10 -","- C20 H28 B10 -","- C80 H112 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.1228","0.0921","","","0.1694","0.1823","","","","","","1.182","","","","has coordinates","257114","2020-10-21","18:00:00",""
"4135006","12.9222","0.0006","10.4623","0.0005","13.8208","0.0007","90","","94.9914","0.0016","90","","1861.43","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 -","- C14 H24 B10 -","- C56 H96 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0928","0.0707","","","0.1694","0.1931","","","","","","1.123","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135007","20.027","0.003","12.0453","0.0016","18.935","0.003","90","","90","","90","","4567.7","1.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","2","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0902","0.0728","","","0.1547","0.1658","","","","","","1.116","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135008","10.3192","0.0004","13.6281","0.0006","25.6934","0.0014","90","","90","","90","","3613.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 N10 O10 -","- C39 H34 N10 O10 -","- C156 H136 N40 O40 -","4","1","","Shen, Jie; Ye, Ruijuan; Romanies, Alyssa; Roy, Arundhati; Chen, Feng; Ren, Changliang; Liu, Zhiwei; Zeng, Huaqiang","Aquafoldmer-Based Aquaporin-like Synthetic Water Channel.","Journal of the American Chemical Society","2020","142","22","10050","10058","10.1021/jacs.0c02013","","","0.71073","MoKα","","0.1397","0.0706","","","0.1228","0.153","","","","","","1.065","","","","has coordinates","257107","2020-10-21","18:00:00",""
"4135009","8.89","0.003","14.011","0.005","12.417","0.005","90","","96.911","0.008","90","","1535.4","1","205","","205","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Song, Bichao; Xie, Peipei; Li, Yingzi; Hao, Jiping; Wang, Lu; Chen, Xiangyang; Xu, Zhongliang; Quan, Haitian; Lou, Li-Guang; Xia, Yuanzhi; Houk, K. N.; Yang, Weibo","Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Bioactive Macrocyclic Inhibitors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00078","","","0.71073","MoKα","","0.0646","0.0469","","","0.135","0.1499","","","","","","1.029","","","","has coordinates","252215","2020-10-21","18:00:00",""
"4135010","10.97","0.006","6.974","0.005","29.88","0.02","90","","95.82","0.02","90","","2274","3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Song, Bichao; Xie, Peipei; Li, Yingzi; Hao, Jiping; Wang, Lu; Chen, Xiangyang; Xu, Zhongliang; Quan, Haitian; Lou, Li-Guang; Xia, Yuanzhi; Houk, K. N.; Yang, Weibo","Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Bioactive Macrocyclic Inhibitors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00078","","","0.71073","MoKα","","0.1428","0.0903","","","0.2679","0.3088","","","","","","1.083","","","","has coordinates","252216","2020-10-21","18:00:00",""
"4135011","12.1998","0.0002","12.3637","0.0002","19.2246","0.0002","76.708","0.001","75.705","0.001","81.455","0.001","2721.69","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H70 Ir N2 O7 P Si6 -","- C46 H70 Ir N2 O7 P Si6 -","- C92 H140 Ir2 N4 O14 P2 Si12 -","2","1","","Karmel, Caleb; Hartwig, John F.","Mechanism of the Iridium-Catalyzed Silylation of Aromatic C-H Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03301","","","0.71073","MoKα","","0.0343","0.0271","","","0.059","0.0609","","","","","","1.023","","","","has coordinates","252253","2020-10-21","18:00:00",""
"4135012","9.3332","0.0014","12.1683","0.0018","14.396","0.002","90","","90","","90","","1634.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Br2 N2 Ni O2 -","- C12 H18 Br2 N2 Ni O2 -","- C48 H72 Br8 N8 Ni4 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0418","0.0319","","","0.0619","0.0643","","","","","","0.965","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135013","14.2816","0.0013","14.9089","0.0012","26.853","0.002","90","","90","","90","","5717.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H45 Cl9 O2 -","- C61 H45 Cl9 O2 -","- C244 H180 Cl36 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.1534","0.0803","","","0.2087","0.2688","","","","","","1.008","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135014","6.349","0.0003","8.618","0.0004","13.1236","0.0006","90","","103.89","0.001","90","","697.07","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.029","0.0287","","","0.0733","0.0738","","","","","","1.036","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135015","6.7225","0.0001","8.4948","0.0002","29.8034","0.0005","90","","90","","90","","1701.96","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.062","0.0597","","","0.1563","0.1608","","","","","","1.047","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135016","10.9629","0.0005","9.5777","0.0004","17.0234","0.0008","90","","108.478","0.001","90","","1695.3","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 N4 Ni2 O2 -","- C34 H31 Cl4 N4 Ni2 O2 -","- C68 H62 Cl8 N8 Ni4 O4 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0311","0.0264","","","0.0585","0.0609","","","","","","1.042","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135017","11.0227","0.0003","18.3233","0.0005","12.8616","0.0003","90","","107.871","0.001","90","","2472.35","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0318","0.0235","","","0.0488","0.0523","","","","","","1.026","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135018","11.6852","0.0003","14.2348","0.0004","17.0541","0.0005","68.082","0.001","78.177","0.001","76.52","0.001","2537.24","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","1","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0464","0.0313","","","0.0618","0.0687","","","","","","1.013","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135019","13.4699","0.0005","13.6164","0.0006","20.1702","0.0009","90","","90","","90","","3699.4","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H32 Cl2 O4 -","- C51 H32 Cl2 O4 -","- C204 H128 Cl8 O16 -","4","1","","Yubuta, Ayaka; Hosokawa, Tomoka; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Tsurusaki, Akihiro; Kamikawa, Ken","Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2020","142","22","10025","10033","10.1021/jacs.0c01723","","","0.71075","MoKα","","0.0581","0.0561","","","0.1554","0.158","","","","","","1.025","","","","has coordinates","257109","2020-10-21","18:00:00",""
"4135020","13.9734","0.0008","17.3183","0.0009","21.9354","0.0011","67.158","0.002","77.272","0.003","68.459","0.002","4531.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H73 Al N P2 Sc Si2 -","- C38.5 H73 Al N P2 Sc Si2 -","- C154 H292 Al4 N4 P8 Sc4 Si8 -","4","2","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0749","0.048","","","0.095","0.1063","","","","","","1.03","","","","has coordinates,has disorder","252322","2020-10-21","18:00:00",""
"4135021","39.405","0.007","11.884","0.002","24.015","0.004","90","","97.304","0.005","90","","11155","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H152 Al2 N2 P6 Sc2 -","- C117 H152 Al2 N2 P6 Sc2 -","- C468 H608 Al8 N8 P24 Sc8 -","4","0.5","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.1975","0.0859","","","0.2097","0.2602","","","","","","1.031","","","","has coordinates,has disorder","252323","2020-10-21","18:00:00",""
"4135022","10.952","0.0006","14.0978","0.0008","27.7873","0.0015","90","","100.03","0.002","90","","4224.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H67 Al N P2 Sc Si2 -","- C36 H67 Al N P2 Sc Si2 -","- C144 H268 Al4 N4 P8 Sc4 Si8 -","4","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0389","0.0304","","","0.0691","0.0729","","","","","","1.028","","","","has coordinates","252324","2020-10-21","18:00:00",""
"4135023","16.6374","0.0007","17.6783","0.0007","33.7373","0.0014","90","","97.683","0.001","90","","9833.8","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H69 Al N P3 Sc -","- C51 H69 Al N P3 Sc -","- C408 H552 Al8 N8 P24 Sc8 -","8","2","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0736","0.053","","","0.1074","0.1153","","","","","","1.115","","","","has coordinates,has disorder","252325","2020-10-21","18:00:00",""
"4135024","12.5485","0.0005","12.7502","0.0005","15.2081","0.0006","83.649","0.002","86.788","0.002","85.681","0.002","2408.64","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H71 N P3 Sc -","- C51 H71 N P3 Sc -","- C102 H142 N2 P6 Sc2 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0686","0.0501","","","0.116","0.1269","","","","","","1.03","","","","has coordinates","252326","2020-10-21","18:00:00",""
"4135025","13.215","0.002","15.972","0.003","16.231","0.003","64.146","0.006","84.121","0.005","66.561","0.005","2818.1","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 N3 P2 Sc Si -","- C58 H84 N3 P2 Sc Si -","- C116 H168 N6 P4 Sc2 Si2 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0981","0.0579","","","0.1452","0.1652","","","","","","1.035","","","","has coordinates,has disorder","252327","2020-10-21","18:00:00",""
"4135026","12.969","0.002","14.092","0.002","14.336","0.002","83.145","0.006","79.087","0.006","87.572","0.006","2553.7","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H82 Al N4 P2 Sc Si2 -","- C46 H82 Al N4 P2 Sc Si2 -","- C92 H164 Al2 N8 P4 Sc2 Si4 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0574","0.0485","","","0.1301","0.138","","","","","","1.033","","","","has coordinates,has disorder","252328","2020-10-21","18:00:00",""
"4135027","8.3642","0.0004","22.4504","0.001","17.932","0.0008","90","","95.468","0.001","90","","3351.9","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 O2 P2 -","- C43 H32 O2 P2 -","- C172 H128 O8 P8 -","4","1","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","","0.71073","MoKα","","0.0821","0.0567","","","0.1397","0.1504","","","","","","1.119","","","","has coordinates","252358","2020-10-21","18:00:00",""
"4135028","5.9827","0.0008","15.686","0.002","34.121","0.005","90","","90","","90","","3202.1","0.8","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 P2 -","- C43 H32 P2 -","- C172 H128 P8 -","4","1","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","","0.71073","MoKα","","0.0518","0.0461","","","0.106","0.1087","","","","","","1.081","","","","has coordinates","252359","2020-10-21","18:00:00",""
"4135029","29.6193","0.0019","11.3651","0.0007","12.908","0.0008","90","","103.804","0.002","90","","4219.7","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Au2 Cl2 P2 -","- C43 H32 Au2 Cl2 P2 -","- C172 H128 Au8 Cl8 P8 -","4","0.5","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","x-ray","0.71073","MoKα","","0.0341","0.025","","","0.0558","0.0586","","","","","","1.042","","","","has coordinates","252360","2020-10-21","18:00:00",""
"4135030","20.5852","0.0009","21.9306","0.0005","21.2989","0.0007","90","","118.6","0.005","90","","8442.1","0.6","99.98","0.13","99.98","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H102 Br2 F48 N14 P8 -","- C132 H102 Br2 F48 N14 P8 -","- C264 H204 Br4 F96 N28 P16 -","2","0.5","","Liu, Wenqi; Stern, Charlotte L.; Stoddart, J. Fraser","Suit[4]ane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03408","","x-ray","0.71073","MoKα","","0.1297","0.1002","","","0.3196","0.3448","","","","","","1.294","","","","has coordinates,has disorder","252394","2020-10-21","18:00:00",""
"4135031","7.0794","0.0002","12.4486","0.0004","12.4689","0.0004","111.199","0.003","98.922","0.003","94.144","0.002","1002.24","0.06","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F6 N4 P Pd -","- C22 H17 F6 N4 P Pd -","- C44 H34 F12 N8 P2 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","1.54178","CuKα","","0.0227","0.0203","","","0.0487","0.0492","","","","","","0.969","","","","has coordinates,has disorder","252395","2020-10-21","18:00:00",""
"4135032","8.7303","0.0003","9.6154","0.0003","13.7013","0.0005","77.129","0.003","76.604","0.003","83.396","0.003","1088.31","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 B2 F8 N5 Pd -","- C21 H17 B2 F8 N5 Pd -","- C42 H34 B4 F16 N10 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","0.71073","MoKα","","0.0449","0.0343","","","0.0666","0.0709","","","","","","1.062","","","","has coordinates","252396","2020-10-21","18:00:00",""
"4135033","7.13321","0.00015","12.3984","0.0003","12.5417","0.0003","111.159","0.002","95.1949","0.0018","100.328","0.002","1002.98","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F6 N4 P Pd -","- C22 H17 F6 N4 P Pd -","- C44 H34 F12 N8 P2 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","0.71073","MoKα","","0.0281","0.0245","","","0.0533","0.0553","","","","","","1.055","","","","has coordinates,has disorder","252397","2020-10-21","18:00:00",""
"4135034","14.9867","0.0006","11.471","0.0005","24.2026","0.001","90","","104.365","0.001","90","","4030.6","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H31 Cl2 F6 I P2 Pd -","- C43 H31 Cl2 F6 I P2 Pd -","- C172 H124 Cl8 F24 I4 P8 Pd4 -","4","1","","Vasquez, Alena M.; Gurak, John A.; Joe, Candice; Cherney, Emily C.; Engle, Keary M.","Catalytic α-Hydroarylation of Acrylates and Acrylamides via an Interrupted Hydrodehalogenation Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03040","","x-ray","0.71073","MoKα","","0.0288","0.0239","","","0.0541","0.0565","","","","","","1.03","","","","has coordinates,has disorder","252442","2020-10-21","18:00:00",""
"4135035","6.5212","0.0003","11.9108","0.0006","27.1935","0.0011","90","","92.608","0.003","90","","2110.01","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3aa in manuscript","","","- C21 H30 B2 O5 -","- C21 H30 B2 O5 -","- C84 H120 B8 O20 -","4","1","","Zhang, Lumin; Si, Xiaojia; Rominger, Frank; Hashmi, A Stephen K","Visible-Light-Induced Radical Carbo-Cyclization/<i>gem</i>-Diborylation through Triplet Energy Transfer between a Gold Catalyst and Aryl Iodides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03197","","","1.54178","CuKα","","0.0886","0.0558","","","0.1412","0.1649","","","","","","1.028","","","","has coordinates","252443","2020-10-21","18:00:00",""
"4135036","7.6731","0.0002","14.8909","0.0004","15.3716","0.0005","90","","90","","90","","1756.35","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl3 N2 -","- C16 H19 Cl3 N2 -","- C64 H76 Cl12 N8 -","4","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","0.71073","MoKα","","0.0483","0.0414","","","0.1084","0.1157","","","","","","1.067","","","","has coordinates","252500","2020-10-21","18:00:00",""
"4135037","5.0937","0.0003","10.171","0.0006","10.7742","0.0006","85.704","0.002","77.91","0.002","89.183","0.002","544.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","1","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","1.54178","CuKα","","0.039","0.0378","","","0.1011","0.1027","","","","","","1.056","","","","has coordinates,has disorder","252501","2020-10-21","18:00:00",""
"4135038","12.8085","0.0001","60.9472","0.001","36.1921","0.0003","90","","98.539","0.001","90","","27939.9","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C236 H139 Cl10 Co5 N33 O40 S10 -","- C236 H136 Cl7 Co5 N33 O28 S10 -","- C944 H544 Cl28 Co20 N132 O112 S40 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1333","0.0909","","","0.3063","0.3339","","","","","","1.083","","","","has coordinates,has disorder","252507","2020-10-21","18:00:00",""
"4135039","14.9831","0.0001","24.4806","0.0002","40.1002","0.0002","83.35","0.001","88.867","0.001","85.895","0.001","14571.2","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C271 H173.5 Co5 F36 N39.5 O43.5 Re4 S22 -","- C267.8 H168.5 Co5 F26.4 N37.9 O37.1 Re4 S18.8 -","- C535.6 H337 Co10 F52.8 N75.8 O74.2 Re8 S37.6 -","2","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1287","0.0781","","","0.2366","0.2716","","","","","","0.984","","","","has coordinates,has disorder","252508","2020-10-21","18:00:00",""
"4135040","33.308","0.007","28.413","0.006","44.063","0.009","90","","110.98","0.03","90","","38936","16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C382.5 H313.75 B10 Cu10 F40 N56.25 O2.5 S20 -","- C382.5 H297.85 B10 Cu10 F40 N56.25 O2.5 S20 -","- C1530 H1191.4 B40 Cu40 F160 N225 O10 S80 -","4","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1098","0.087","","","0.2677","0.2851","","","","","","1.01","","","","has coordinates,has disorder","252509","2020-10-21","18:00:00",""
"4135041","27.3964","0.0008","27.5891","0.0011","27.8154","0.0008","90.192","0.003","118.294","0.002","116.73","0.003","15894.8","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C301 H217.5 B10 Co5 F40 N50.5 O S10 -","- C301 H176 B10 Co5 F40 N50.5 O S10 -","- C602 H352 B20 Co10 F80 N101 O2 S20 -","2","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1524","0.1092","","","0.32","0.3466","","","","","","1.099","","","","has coordinates,has disorder","252510","2020-10-21","18:00:00",""
"4135042","12.7122","0.0003","60.0379","0.0011","36.2181","0.0005","90","","98.238","0.002","90","","27356.9","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C252 H163 B10 Co5 F40 N41 S10 -","- C252 H136 B8 Co5 F32 N41 S10 -","- C1008 H544 B32 Co20 F128 N164 S40 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1484","0.1131","","","0.3178","0.346","","","","","","1.081","","","","has coordinates,has disorder","252511","2020-10-21","18:00:00",""
"4135043","35.3596","0.0001","34.5841","0.0002","34.619","0.0001","90","","90","","90","","42334.9","0.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C398 H305 B10 Cu10 F40 N40 O4.5 S20 -","- C398 H305 B9 Cu10 F36 N40 O4.5 S20 -","- C1592 H1220 B36 Cu40 F144 N160 O18 S80 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.116","0.0949","","","0.3027","0.3188","","","","","","1.087","","","","has coordinates,has disorder","252512","2020-10-21","18:00:00",""
"4135044","24.5549","0.0002","26.508","0.0003","47.3015","0.0005","90","","93.073","0.001","90","","30744.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C253 H161.5 B22 F48 N40.5 O32 S26 Zn5 -","- C242.2 H160 B24 F21.6 N36.1 O14.4 S17.2 Zn5 -","- C968.8 H640 B96 F86.4 N144.4 O57.6 S68.8 Zn20 -","4","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1878","0.1263","","","0.3435","0.3866","","","","","","1.121","","","","has coordinates,has disorder","252513","2020-10-21","18:00:00",""
"4135045","51.354","0.006","5.7125","0.0007","17.328","0.002","90","","93.198","0.004","90","","5075.4","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N5 Ni -","- C28 H34 N5 Ni -","- C224 H272 N40 Ni8 -","8","1","","McNeece, Andrew J.; Jesse, Kate; Xie, Jiaze; Filatov, Alexander S.; Anderson, John S.","Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03244","","","0.71073","MoKα","","0.0851","0.0672","","","0.1602","0.1703","","","","","","1.078","","","","has coordinates,has disorder","252547","2020-10-21","18:00:00",""
"4135046","12.197","0.006","15.166","0.008","21.97","0.011","71.701","0.012","76.17","0.011","69.672","0.013","3579","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H68 F6 N10 Ni2 O6 S2 -","- C58 H68 F6 N10 Ni2 O6 S2 -","- C116 H136 F12 N20 Ni4 O12 S4 -","2","1","","McNeece, Andrew J.; Jesse, Kate; Xie, Jiaze; Filatov, Alexander S.; Anderson, John S.","Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03244","","","0.71073","MoKα","","0.1917","0.1592","","","0.3329","0.3534","","","","","","1.045","","","","has coordinates,has disorder","252548","2020-10-21","18:00:00",""
"4135047","26.1933","0.0004","14.6636","0.0002","20.6104","0.0003","90","","90","","90","","7916.2","0.2","249.99","0.1","249.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0666","0.0574","","","0.1842","0.1926","","","","","","1.119","","","","has coordinates,has disorder","252572","2020-10-21","18:00:00",""
"4135048","21.6","0.004","15","0.003","20.22","0.004","90","","90","","90","","6551","2","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) methanol solvate","","- C59.5 H62 Br4 Co2 F12 N8 O6.5 P2 -","- C57 H52 Br4 Co2 F12 N8 O4 P2 -","- C228 H208 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710918","Synchrotron","","0.0873","0.0645","","","0.1975","0.2212","","","","","","1.079","","","","has coordinates,has disorder","252573","2020-10-21","18:00:00",""
"4135049","17.948","0.004","20.058","0.004","22.915","0.005","90","","90","","90","","8249","3","100","2","100","2","","","","","","","","8","I b a 2","I 2 -2c","45","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(bis(6-methyl-2-pyridylmethyl)(2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) 1,4-dioxane solvate","","- C79 H96 Br4 Co2 F12 N8 O13 P2 -","- C69 H76 Br4 Co2 F12 N8 O8 P2 -","- C276 H304 Br16 Co8 F48 N32 O32 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.7109","Synchrotron","","0.0732","0.0669","","","0.1715","0.1795","","","","","","1.054","","","","has coordinates,has disorder","252574","2020-10-21","18:00:00",""
"4135050","18.36149","0.00017","7.57018","0.00007","22.8673","0.0002","90","","90","","90","","3178.55","0.05","130","0.1","130","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","""3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6' -tetraol diethyl ether solvate""","","- C29 H40 Br4 O6 -","- C29 H40 Br4 O6 -","- C116 H160 Br16 O24 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0596","0.06","","","","","","1.107","","","","has coordinates","252575","2020-10-21","18:00:00",""
"4135051","9.474","0.0019","16.711","0.003","24.172","0.005","84.25","0.03","87.61","0.03","79.98","0.03","3748.4","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-zinc(II) bis(hexafluorophosphate) toluene solvate","","- C70 H72 Br4 F12 N8 O4 P2 Zn2 -","- C63 H64 Br4 F12 N8 O4 P2 Zn2 -","- C126 H128 Br8 F24 N16 O8 P4 Zn4 -","2","1","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710756","Synchrotron","","0.0675","0.0585","","","0.1666","0.1763","","","","","","1.085","","","","has coordinates,has disorder","252576","2020-10-21","18:00:00",""
"4135052","26.0671","0.0003","14.5259","0.0002","20.4819","0.0003","90","","90","","90","","7755.43","0.18","200","0.1","200","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C68 H79 Br4 Co2 F12 N8 O6.5 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1021","0.0869","","","0.2723","0.2926","","","","","","1.116","","","","has coordinates,has disorder","252577","2020-10-21","18:00:00",""
"4135053","26.2505","0.0005","14.6662","0.0004","20.6389","0.0005","90","","90","","90","","7945.9","0.3","299.98","0.1","299.98","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0737","0.0621","","","0.1875","0.203","","","","","","1.056","","","","has coordinates,has disorder","252578","2020-10-21","18:00:00",""
"4135054","13.4672","0.0004","15.7188","0.0004","20.5224","0.0005","111.532","0.002","90.341","0.002","109.649","0.003","3764.1","0.2","130.01","0.1","130.01","0.1","","","","","","","","7","P 1","P 1","1","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate","","- C68.58 H75.16 Br4 Cl2 Co2 N8 O15.86 -","- C68.5815 H75.163 Br4 Cl2 Co2 N8 O15.8605 -","- C137.163 H150.326 Br8 Cl4 Co4 N16 O31.721 -","2","2","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0958","0.098","","","","","","1.046","","","","has coordinates,has disorder","252579","2020-10-21","18:00:00",""
"4135055","26.024","0.0003","14.4389","0.0001","20.3551","0.0002","90","","90","","90","","7648.59","0.13","149.99","0.1","149.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1236","0.1097","","","0.3012","0.3139","","","","","","1.124","","","","has coordinates,has disorder","252580","2020-10-21","18:00:00",""
"4135056","20.821","0.004","23.729","0.005","15.968","0.003","90","","106.12","0.03","90","","7579","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-zinc(II) hexafluorophosphate toluene solvate","","- C77 H80 Br4 F6 N8 O4 P Zn2 -","- C63 H64 Br4 F6 N8 O4 P Zn2 -","- C252 H256 Br16 F24 N32 O16 P4 Zn8 -","4","1","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710756","Synchrotron","","0.0995","0.0725","","","0.2032","0.2281","","","","","","0.927","","","","has coordinates,has disorder","252581","2020-10-21","18:00:00",""
"4135057","26.0119","0.0003","14.2861","0.0002","20.1208","0.0002","90","","90","","90","","7477.06","0.15","99.99","0.13","99.99","0.13","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.081","0.0711","","","0.195","0.2029","","","","","","1.033","","","","has coordinates","252582","2020-10-21","18:00:00",""
"4135058","17.127","0.003","19.36","0.004","25.008","0.005","84.2","0.03","81.18","0.03","89.83","0.03","8151","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate","","- C78 H94 Br4 Cl2 Co2 N8 O19 -","- C57 H52 Br4 Cl2 Co2 N8 O12 -","- C228 H208 Br16 Cl8 Co8 N32 O48 -","4","2","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.7109","Synchrotron","","0.1021","0.0681","","","0.1815","0.1996","","","","","","1.019","","","","has coordinates,has disorder","252583","2020-10-21","18:00:00",""
"4135059","18.3116","0.0016","19.4359","0.0018","29.992","0.003","74.473","0.003","75.276","0.003","84.941","0.003","9944.6","1.6","206","2","205.82","","","","","","","","","4","P -1","-P 1","2","","","","- C168 H132 N12 S12 -","- C168 H132 N12 S12 -","- C336 H264 N24 S24 -","2","1","","Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong","Controlled Hierarchical Self-Assembly of Catenated Cages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03330","","","1.34139","GaKα","","0.1332","0.1","","","0.2672","0.2876","","","","","","1.101","","","","has coordinates,has disorder","252649","2020-10-21","18:00:00",""
"4135060","70.5814","0.0019","15.2442","0.0004","41.8633","0.0011","90","","118.04","0.001","90","","39755.9","1.9","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H168 N12 O3 S12 -","- C180 H168 N12 O3 S12 -","- C1440 H1344 N96 O24 S96 -","8","1","","Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong","Controlled Hierarchical Self-Assembly of Catenated Cages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03330","","","1.34139","GaKα","","0.1643","0.1069","","","0.3125","0.3594","","","","","","1.043","","","","has coordinates","252650","2020-10-21","18:00:00",""
"4135061","10.3008","0.0008","10.3151","0.0009","13.5595","0.0014","94.497","0.008","103.341","0.007","119.914","0.006","1182.7","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Ge N O2 -","- C29 H25 Ge N O2 -","- C58 H50 Ge2 N2 O4 -","2","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.0511","0.0461","","0.064","0.0569","0.0583","","","","","","1.0623","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135062","20.0288","0.0008","14.5601","0.0007","18.7951","0.0008","90","","115.273","0.002","90","","4956.4","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Ge N O3 -","- C30 H27 Ge N O3 -","- C240 H216 Ge8 N8 O24 -","8","2","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","x-ray","1.54178","CuKα","","0.0448","0.0391","","","0.0994","0.1034","","","","","","1.036","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135063","9.2732","0.0004","10.0269","0.0003","27.8796","0.001","90","","94.522","0.003","90","","2584.22","0.16","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F3 Ge N O2 -","- C30 H24 F3 Ge N O2 -","- C120 H96 F12 Ge4 N4 O8 -","4","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.073","0.0646","","0.0845","0.0782","0.0764","","","","","","1.0273","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135064","18.0288","0.0015","18.508","0.0014","22.4157","0.0015","113.701","0.007","90.846","0.007","114.996","0.008","6051.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl N2 Ni -","- C30 H28 Cl N2 Ni -","- C240 H224 Cl8 N16 Ni8 -","8","4","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0799","0.0452","","","0.1058","0.1163","","","","","","0.986","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135065","9.8891","0.0016","21.524","0.003","14.62","0.002","90","","103.029","0.005","90","","3031.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl N2 Ni -","- C36 H40 Cl N2 Ni -","- C144 H160 Cl4 N8 Ni4 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0935","0.0526","","","0.1148","0.1306","","","","","","1.032","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135066","11.0083","0.0006","32.4592","0.0017","8.8043","0.0005","90","","90.9405","0.0018","90","","3145.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 N2 Ni O0.5 -","- C37 H44 N2 Ni O0.5 -","- C148 H176 N8 Ni4 O2 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0821","0.0521","","","0.109","0.1217","","","","","","1.055","","","","has coordinates,has disorder","253725","2020-10-21","18:00:00",""
"4135067","7.0969","0.0005","8.5411","0.0006","14.8555","0.0011","91.182","0.006","103.436","0.006","97.147","0.006","867.87","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 B2 -","- C10 H10 B2 -","- C40 H40 B8 -","4","2","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0547","0.0475","","","0.1302","0.1351","","","","","","1.056","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135068","11.1648","0.0006","14.6132","0.001","17.7975","0.001","90","","99.81","0.004","90","","2861.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B2 N4 -","- C28 H42 B2 N4 -","- C112 H168 B8 N16 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0768","0.0558","","","0.1388","0.1491","","","","","","1.024","","","","has coordinates,has disorder","253180","2020-10-21","18:00:00",""
"4135069","8.0114","0.0004","20.4702","0.001","14.6659","0.0007","90","","102.299","0.004","90","","2349.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B2 -","- C28 H30 B2 -","- C112 H120 B8 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0686","0.0571","","","0.1248","0.1302","","","","","","1.146","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135070","8.8118","0.0008","24.1649","0.0018","11.803","0.0012","90","","108.54","0.008","90","","2382.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B2 N -","- C28 H29 B2 N -","- C112 H116 B8 N4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.1065","0.0747","","","0.1662","0.1826","","","","","","1.124","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135071","7.631","0.0004","17.0502","0.0009","19.5937","0.0008","90","","90","","90","","2549.3","0.2","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H31 B2 N -","- C29 H31 B2 N -","- C116 H124 B8 N4 -","4","0.5","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0698","0.0593","","","0.1279","0.1328","","","","","","1.179","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135072","8.7888","0.0005","24.0199","0.0012","11.8661","0.0007","90","","108.501","0.005","90","","2375.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B2 O -","- C28 H28 B2 O -","- C112 H112 B8 O4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0835","0.0662","","","0.1415","0.1491","","","","","","1.199","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135073","7.4924","0.0009","9.6174","0.0012","11.9767","0.0016","95.305","0.011","101.49","0.01","103.923","0.01","811.88","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 Br2 N -","- C19 H15 Br2 N -","- C38 H30 Br4 N2 -","2","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.1105","0.0822","","","0.1612","0.1689","","","","","","1.382","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135074","11.4624","0.0006","33.3828","0.0016","7.3003","0.0004","90","","118.642","0.004","90","","2451.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H21 B2 Br2 N -","- C29 H21 B2 Br2 N -","- C116 H84 B8 Br8 N4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0401","0.0378","","","0.0964","0.0977","","","","","","1.039","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135075","13.7589","0.0007","14.0096","0.0009","20.7132","0.001","90","","90","","90","","3992.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19 B2 N -","- C29 H19 B2 N -","- C232 H152 B16 N8 -","8","2","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.131","0.0884","","","0.1786","0.1999","","","","","","1.108","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135076","16.755","0.003","16.845","0.003","18.531","0.004","103.56","0.03","110.52","0.03","107.89","0.03","4304","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","1","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0602","0.0599","","","0.1716","0.1721","","","","","","1.029","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135077","16.927","0.003","11.43","0.002","32.513","0.007","90","","99.02","0.03","90","","6213","2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C208 H200 Au20 Cl20 N8 P16 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0617","0.0585","","","0.1748","0.1799","","","","","","1.06","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135078","32.431","0.005","32.431","0.005","24.806","0.005","90","","90","","90","","26090","8","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C832 H800 Au80 Cl16 N32 P64 S32 -","8","1","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82657","synchrotron","","0.0703","0.0699","","","0.1844","0.185","","","","","","1.029","","","","has coordinates,has disorder","253724","2020-10-21","18:00:00",""
"4135079","16.539","0.003","33.236","0.007","14.185","0.003","90","","105.86","0.03","90","","7501","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C292 H268 Au24 Cl8 N12 O4 P24 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.71073","synchrotron","","0.078","0.0779","","","0.1857","0.1859","","","","","","1.194","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135080","4.6691","0.0002","14.0872","0.0007","18.8945","0.001","81.134","0.004","86.917","0.004","85.816","0.004","1223.51","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Hayakawa, Sakiho; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Dinaphthothiepine Bisimide and Its Sulfoxide: Soluble Precursors for Perylene Bisimide.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04096","","","0.71075","MoKα","","0.1415","0.0691","","","0.1451","0.1835","","","","","","1.002","","","","has coordinates","253376","2020-10-21","18:00:00",""
"4135081","3.8643","0.0003","18.7063","0.0011","16.2605","0.001","90","","92.736","0.003","90","","1174.08","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.15 S0.85 -","- C12 H9 N3 O2.147 S0.853 -","- C48 H36 N12 O8.588 S3.412 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0899","0.0693","","","0.1815","0.1984","","","","","","1.122","","","","has coordinates,has disorder","253411","2020-10-21","18:00:00",""
"4135082","8.4024","0.0002","16.0107","0.0004","8.5218","0.0002","90","","90.787","0.001","90","","1146.32","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O2.23 S0.76 -","- C12 H9 N3 O2.236 S0.764 -","- C48 H36 N12 O8.944 S3.056 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.0335","0.0333","","","0.0859","0.0861","","","","","","1.138","","","","has coordinates,has disorder","253412","2020-10-21","18:00:00",""
"4135083","3.8603","0.0002","18.6172","0.001","16.3357","0.0009","90","","92.759","0.002","90","","1172.65","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.07 S0.93 -","- C12 H9 N3 O2.072 S0.928 -","- C48 H36 N12 O8.288 S3.712 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0484","0.0483","","","0.1186","0.1188","","","","","","1.148","","","","has coordinates,has disorder","253413","2020-10-21","18:00:00",""
"4135084","4.0133","0.0004","22.502","0.003","12.7868","0.0016","90","","95.858","0.006","90","","1148.7","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.6 S0.4 -","- C12 H9 N3 O2.598 S0.402 -","- C48 H36 N12 O10.392 S1.608 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.1138","0.0896","","","0.2579","0.2833","","","","","","1.146","","","","has coordinates,has disorder","253414","2020-10-21","18:00:00",""
"4135085","4.0286","0.0003","23.2739","0.0016","12.5799","0.001","90","","96.504","0.005","90","","1171.92","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1426","0.0748","","","0.1733","0.226","","","","","","0.97","","","","has coordinates","253415","2020-10-21","18:00:00",""
"4135086","22.3314","0.0008","13.9004","0.0005","7.2164","0.0003","90","","90","","90","","2240.08","0.15","200","","200","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0563","0.0555","","","0.1265","0.1276","","","","","","1.157","","","","has coordinates","253416","2020-10-21","18:00:00",""
"4135087","4.2017","0.0004","11.1768","0.001","14.222","0.0012","90","","95.403","0.005","90","","664.92","0.1","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H8 Cl N3 O3 -","- C13 H8 Cl N3 O3 -","- C26 H16 Cl2 N6 O6 -","2","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0734","0.0601","","","0.1661","0.1808","","","","","","1.056","","","","has coordinates","253417","2020-10-21","18:00:00",""
"4135088","7.3803","0.0013","8.258","0.0011","20.722","0.003","89.248","0.009","88.452","0.012","63.458","0.009","1129.4","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C48 H36 N12 O12 -","4","2","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1069","0.0896","","","0.2334","0.2509","","","","","","1.013","","","","has coordinates","253418","2020-10-21","18:00:00",""
"4135089","3.9696","0.0008","22.591","0.005","12.705","0.002","90","","97.231","0.014","90","","1130.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1062","0.0856","","","0.2109","0.2272","","","","","","1.043","","","","has coordinates","253419","2020-10-21","18:00:00",""
"4135090","3.952","0.004","21.87","0.016","12.864","0.012","90","","95.6","0.04","90","","1106.5","1.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C48 H36 N12 O12 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1458","0.0813","","","0.1977","0.2328","","","","","","1","","","","has coordinates","253420","2020-10-21","18:00:00",""
"4135091","23.2603","0.001","6.8371","0.0003","14.6629","0.0006","90","","112.324","0.001","90","","2157.11","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.0381","0.0368","","","0.096","0.1001","","","","","","1.052","","","","has coordinates","253421","2020-10-21","18:00:00",""
"4135092","5.1612","0.0003","30.938","0.002","9.7231","0.0006","90","","91.905","0.003","90","","1551.7","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48.67 N O10.33 -","- C30.9999 H48.6664 N O10.3333 -","- C61.9998 H97.3328 N2 O20.6666 -","2","1","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0337","0.0332","","","0.0896","0.0904","","","","","","1.091","","","","has coordinates,has disorder","253484","2020-10-21","18:00:00",""
"4135093","6.4201","0.0002","10.7569","0.0003","19.4267","0.0006","90","","93.2719","0.0016","90","","1339.43","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","2","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0322","0.0315","","","0.0854","0.0857","","","","","","1.045","","","","has coordinates","253485","2020-10-21","18:00:00",""
"4135094","9.0039","0.0006","10.8077","0.0007","13.3414","0.0009","94.3829","0.0015","92.6065","0.0014","105.41","0.0013","1245.01","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","HS1","","","- C19 H43 N Si4 -","- C19 H43 N Si4 -","- C38 H86 N2 Si8 -","2","1","","Sakai, Holt A.; Liu, Wei; Le, Chi Chip; MacMillan, David W. C.","Cross-Electrophile Coupling of Unactivated Alkyl Chlorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04812","","","0.71073","MoKα","","0.0468","0.0345","","","0.0842","0.0903","","","","","","1.032","","","","has coordinates","253531","2020-10-21","18:00:00",""
"4135095","6.2063","0.001","8.2335","0.0013","18.476","0.003","90","","98.177","0.009","90","","934.5","0.3","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br Si -","- C20 H23 Br Si -","- C40 H46 Br2 Si2 -","2","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.1007","0.0841","","","0.209","0.2314","","","","","","1.122","","","","has coordinates","253634","2020-10-21","18:00:00",""
"4135096","9.7177","0.0004","10.0431","0.0005","22.0386","0.001","90","","90","","90","","2150.88","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","0.71073","MoKα","","0.0559","0.0431","","","0.1017","0.1118","","","","","","1.059","","","","has coordinates","253635","2020-10-21","18:00:00",""
"4135097","9.5614","0.0002","26.9394","0.0005","7.325","0.0001","90","","90","","90","","1886.76","0.06","170","2","169.97","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N S Si -","- C20 H21 N S Si -","- C80 H84 N4 S4 Si4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.0472","0.0391","","","0.0798","0.0833","","","","","","1.092","","","","has coordinates","253636","2020-10-21","18:00:00",""
"4135098","34.0184","0.0007","26.2564","0.0006","21.7846","0.0005","90","","90","","90","","19458","0.7","170.15","","170.15","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Structural Oscillation Revealed in Gold Nanoparticles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02117","","","1.34139","GaKα","","0.1112","0.0879","","","0.2179","0.2368","","","","","","1.012","","","","has coordinates","253637","2020-10-21","18:00:00",""
"4135099","31.7979","0.0013","18.4577","0.0007","26.0404","0.0011","90","","94.017","0.002","90","","15246","1.1","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C100 H180 Au28 S20 -","- C100 H180 Au28 S20 -","- C400 H720 Au112 S80 -","4","0.5","","Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Structural Oscillation Revealed in Gold Nanoparticles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02117","","","1.34139","GaKα","","0.1184","0.1046","","","0.2646","0.2812","","","","","","1.134","","","","has coordinates,has disorder","253638","2020-10-21","18:00:00",""
"4135100","61.4081","0.0005","11.47738","0.00011","22.2013","0.0002","90","","93.3428","0.0008","90","","15620.9","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H247 Cu4 N33 O17 -","- C135 H247 Cu4 N33 O17 -","- C540 H988 Cu16 N132 O68 -","4","0.5","","Wu, Tong; MacMillan, Samantha N.; Rajabimoghadam, Khashayar; Siegler, Maxime A.; Lancaster, Kyle M.; Garcia-Bosch, Isaac","Structure, spectroscopy and reactivity of a mononuclear copper hydroxide complex in three molecular oxidation states.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03867","","","1.54178","CuKα","","0.0432","0.0424","","","0.1186","0.1193","","","","","","1.024","","","","has coordinates,has disorder","253668","2020-10-21","18:00:00",""
"4135101","14.423","0.003","28.903","0.006","31.726","0.006","90","","90","","90","","13226","5","127.15","","127.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C134 H128 O18 P4 Rh2 -","- C134 H128 O18 P4 Rh2 -","- C536 H512 O72 P16 Rh8 -","4","1","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.1192","0.1017","","","0.2024","0.2163","","","","","","1.125","","","","has coordinates","253669","2020-10-21","18:00:00",""
"4135102","9.952","0.002","19.926","0.004","10.453","0.002","90","","90.6","0.03","90","","2072.8","0.7","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 Si -","- C23 H21 N O2 Si -","- C92 H84 N4 O8 Si4 -","4","2","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.0912","0.0763","","","0.1955","0.2095","","","","","","1.078","","","","has coordinates","253670","2020-10-21","18:00:00",""
"4135103","13.1217","0.0003","7.9281","0.0002","14.9286","0.0004","90","","97.444","0.001","90","","1539.94","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F9 H6 K5 Mo3 O7 -","- F9 H6 K5 Mo3 O7 -","- F36 H24 K20 Mo12 O28 -","4","1","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0196","0.0187","","","0.0482","0.0489","","","","","","1.063","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135104","7.4246","0.0004","12.0849","0.0005","16.0856","0.0008","90","","91.596","0.002","90","","1442.73","0.12","100","2","99.92","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F9 H4 K5 Mo3 O6 -","- F9 H4 K5 Mo3 O6 -","- F36 H16 K20 Mo12 O24 -","4","1","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0249","0.0187","","","0.037","0.0386","","","","","","1.033","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135105","6.31509","0.00009","24.7024","0.0003","14.59723","0.00018","90","","94.6464","0.0012","90","","2269.65","0.05","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F36 H4 K16 Mo6 O10 Ti3 -","- F36 H4 K16 Mo6 O10 Ti3 -","- F72 H8 K32 Mo12 O20 Ti6 -","2","0.5","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0191","0.0173","","","0.0377","0.0383","","","","","","1.062","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135106","6.3368","0.0001","24.8645","0.0002","14.7128","0.0001","90","","94.419","0.001","90","","2311.28","0.04","296.1","0.3","296.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F36 H4 K16 Mo6 O10 Ti3 -","- F36 H4 K16 Mo6 O10 Ti3 -","- F72 H8 K32 Mo12 O20 Ti6 -","2","0.5","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","x-ray","0.71073","MoKα","","0.0216","0.0189","","","0.041","0.0418","","","","","","1.058","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135107","11.485","0.0003","11.79","0.0003","12.1794","0.0003","107.588","0.002","92.5269","0.0019","101.528","0.0019","1530.72","0.07","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C45.5 H32 Cl -","- C45.5 H32 Cl -","- C91 H64 Cl2 -","2","1","","Li, Yuanming; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro","A Nonalternant Aromatic Belt: Methylene-Bridged [6]Cycloparaphenylene Synthesized from Pillar[6]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06007","","x-ray","0.71073","MoKα","","0.0903","0.0582","","","0.1543","0.1702","","","","","","1.056","","","","has coordinates,has disorder","254188","2020-10-21","18:00:00",""
"4135108","23.196","0.004","23.143","0.005","16.933","0.003","90","","117.36","0.004","90","","8073","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.0932","0.0714","","","0.1793","0.1941","","","","","","1.017","","","","has coordinates","254189","2020-10-21","18:00:00",""
"4135109","23.205","0.008","23.187","0.008","16.965","0.005","90","","117.28","0.007","90","","8113","5","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1503","0.0817","","","0.1938","0.2375","","","","","","1.005","","","","has coordinates","254190","2020-10-21","18:00:00",""
"4135110","23.256","0.006","23.214","0.006","17.011","0.004","90","","116.955","0.007","90","","8186","4","250","2","250","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1685","0.0941","","","0.2098","0.246","","","","","","1.02","","","","has coordinates","254191","2020-10-21","18:00:00",""
"4135111","23.292","0.008","23.257","0.008","16.959","0.006","90","","117.11","0.007","90","","8177","5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1266","0.0827","","","0.2043","0.2428","","","","","","1.036","","","","has coordinates","254192","2020-10-21","18:00:00",""
"4135112","28.055","0.0013","7.0673","0.0006","7.8774","0.0005","90","","90","","90","","1561.88","0.18","150","","150","","","","","","","","","4","C m c 21","C 2c -2","36","2","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","0.5","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.0546","0.0468","","","0.1293","0.1376","","","","","","1.042","","","","has coordinates","254317","2020-10-21","18:00:00",""
"4135113","12.7314","0.0008","14.6585","0.0008","15.0308","0.0011","90","","102.22","0.007","90","","2741.5","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","1","","","- C30 H21 Cl2 N6 O4 -","- C30 H21 Cl2 N6 O4 -","- C120 H84 Cl8 N24 O16 -","4","1","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.2213","0.1583","","","0.4739","0.5385","","","","","","1.59","","","","has coordinates","254318","2020-10-21","18:00:00",""
"4135114","21.6885","0.0016","13.647","0.004","12.5084","0.0011","90","","90","","90","","3702.3","1.2","150","","150","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 Br6 -","- C18 Br6 -","- C144 Br48 -","8","0.5","","Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo","Synthesis of Cyclo[18]carbon via Debromination of C<sub>18</sub>Br<sub>6</sub>.","Journal of the American Chemical Society","2020","142","30","12921","12924","10.1021/jacs.0c05033","","","1.54184","CuKα","","0.2032","0.1297","","0.372","0.2958","0.372","","","","","","0.9687","","","","has coordinates","257120","2020-10-21","18:00:00",""
"4135115","9.666","0.002","13.466","0.004","18.476","0.005","90","","90","","90","","2404.9","1.1","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H41 Fe O P3 -","- C20 H41 Fe O P3 -","- C80 H164 Fe4 O4 P12 -","4","0.5","","Messinis, Antonis M.; Finger, Lars H.; Hu, Lianrui; Ackermann, Lutz","Allenes for Versatile Iron-Catalyzed C-H Activation by Weak O-Coordination: Mechanistic Insights by Kinetics, Intermediate Isolation, and Computation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04837","","","0.71073","MoKα","","0.029","0.0242","","","0.0603","0.0625","","","","","","1.087","","","","has coordinates,has disorder","254355","2020-10-21","18:00:00",""
"4135116","10.626","0.011","19.78","0.02","12.823","0.014","90","","99.803","0.011","90","","2656","5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H58 O18 -","- C56 H58 O18 -","- C112 H116 O36 -","2","1","","Fujino, Haruka; Fukuda, Takumi; Nagatomo, Masanori; Inoue, Masayuki","Convergent Total Synthesis of Hikizimycin Enabled by Intermolecular Radical Addition to Aldehyde.","Journal of the American Chemical Society","2020","142","30","13227","13234","10.1021/jacs.0c06354","","","0.71075","MoKα","","0.0927","0.0764","","","0.15","0.1639","","","","","","1.06","","","","has coordinates","257119","2020-10-21","18:00:00",""
"4135117","9.4563","0.0004","10.1865","0.0005","17.3631","0.0008","98.128","0.002","93.544","0.002","102.231","0.002","1610.85","0.13","125","2","125","2","","","","","","","","5","P -1","-P 1","2","tBuXphosAuC6H3F2","","","- C35 H48 Au F2 P -","- C35 H48 Au F2 P -","- C70 H96 Au2 F4 P2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Gold Catalyzed Decarboxylative Cross-Coupling of Iodoarenes.","Journal of the American Chemical Society","2020","142","30","13210","13218","10.1021/jacs.0c06244","","","0.71073","MoKα","","0.03","0.0245","","","0.0544","0.0567","","","","","","1.043","","","","has coordinates","257118","2020-10-21","18:00:00",""
"4135118","8.7684","0.0005","11.8623","0.0007","12.2989","0.0007","89.239","0.003","77.878","0.002","77.626","0.002","1221","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Co N3 O -","- C27 H34 Co N3 O -","- C54 H68 Co2 N6 O2 -","2","1","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.065","0.0484","","","0.1376","0.1481","","","","","","1.041","","","","has coordinates","254438","2020-10-21","18:00:00",""
"4135119","7.9985","0.0005","19.2252","0.0011","17.3541","0.0009","90","","99.346","0.002","90","","2633.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Co N5 O6 -","- C27 H33 Co N5 O6 -","- C108 H132 Co4 N20 O24 -","4","1","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.0654","0.0422","","","0.0798","0.0862","","","","","","1.043","","","","has coordinates","254439","2020-10-21","18:00:00",""
"4135120","36.2527","0.0018","10.9071","0.0005","30.0533","0.0015","90","","116.434","0.001","90","","10641","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H34 Cl Co N4 O3 -","- C27.5 H34 Cl Co N4 O3 -","- C440 H544 Cl16 Co16 N64 O48 -","16","2","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.0689","0.0463","","","0.1099","0.1201","","","","","","1.087","","","","has coordinates","254440","2020-10-21","18:00:00",""
"4135121","15.7192","0.0004","15.9825","0.0004","16.7031","0.0003","107.799","0.002","96.824","0.002","112.746","0.002","3547.99","0.17","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H172 Cu4 K4 N12 O28 Pb18 -","- C83.42 H170.84 Cu4 K4 N12 O28 Pb18 -","- C83.42 H170.84 Cu4 K4 N12 O28 Pb18 -","1","0.5","","Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming","[Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04815","","","1.54178","CuKα","","0.056","0.052","","","0.1461","0.1493","","","","","","1.067","","","","has coordinates,has disorder","254625","2020-10-21","18:00:00",""
"4135122","15.6801","0.0003","15.8817","0.0003","16.6035","0.0003","107.945","0.002","96.88","0.001","112.688","0.002","3492.49","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H172 Cu4 K4 N12 O28 Sn18 -","- C84 H172 Cu4 K4 N12 O28 Sn18 -","- C84 H172 Cu4 K4 N12 O28 Sn18 -","1","0.5","","Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming","[Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04815","","x-ray","1.54184","CuKα","","0.054","0.0466","","","0.1266","0.1317","","","","","","1.053","","","","has coordinates,has disorder","254626","2020-10-21","18:00:00",""
"4135123","32.9819","0.0004","32.9819","0.0004","9.9569","0.0002","90","","90","","90","","10831.2","0.3","100","","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C153 H94 Cu2 N4 O42 -","- C156 H80 Cu2 N4 O42 -","- C312 H160 Cu4 N8 O84 -","2","0.125","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0918","0.08","","","0.2408","0.2532","","","","","","1.039","","","","has coordinates,has disorder","254682","2020-10-21","18:00:00",""
"4135124","24.473","0.0006","27.0553","0.0004","20.237","0.0005","90","","113.928","0.003","90","","12247.8","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C454 H486 Cu16 N34 O128 -","- C454 H494 Cu16 N34 O128 -","- C454 H494 Cu16 N34 O128 -","1","0.125","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0883","0.0773","","","0.2333","0.2458","","","","","","1.041","","","","has coordinates,has disorder","254683","2020-10-21","18:00:00",""
"4135125","28.6889","0.0003","21.166","0.0002","14.4751","0.0002","90","","90","","90","","8789.7","0.17","100","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H23 Cu2 N O10 -","- C39 H20 Cu2 N O12 -","- C312 H160 Cu16 N8 O96 -","8","2","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0715","0.0564","","","0.1555","0.168","","","","","","1.041","","","","has coordinates,has disorder","254684","2020-10-21","18:00:00",""
"4135126","18.5763","0.0007","19.8786","0.0008","20.7652","0.0007","116.547","0.004","103.456","0.003","104.134","0.004","6113.7","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C240 H264 Cl2 Cu32 P2 S24 -","- C240 H264 Cl2 Cu32 P2 S24 -","- C240 H264 Cl2 Cu32 P2 S24 -","1","0.5","","Lee, Sanghwa; Bootharaju, Megalamane S.; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan","[Cu32(PET)24H8Cl2](PPh4)2: A Copper Hydride Nanocluster with a Bisquare Antiprismatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06577","","x-ray","1.54184","CuKα","","0.2482","0.1726","","","0.4704","0.6203","","","","","","1.282","","","","has coordinates,has disorder","254705","2020-10-21","18:00:00",""
"4135127","9.1818","0.0013","9.8124","0.0007","14.8937","0.0009","105.663","0.006","98.138","0.009","105.425","0.01","1212.1","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C54 H64 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.07","0.052","","","0.1384","0.1552","","","","","","1.032","","","","has coordinates,has disorder","254792","2020-10-21","18:00:00",""
"4135128","14.4748","0.0005","10.1278","0.0003","16.7654","0.0006","90","","108.018","0.004","90","","2337.24","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O5 -","- C25 H32 N2 O5 -","- C100 H128 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","0.71073","MoKα","","0.0671","0.0414","","","0.0974","0.1023","","","","","","0.966","","","","has coordinates","254793","2020-10-21","18:00:00",""
"4135129","7.28461","0.00018","8.30644","0.00017","11.231","0.0003","90","","107.116","0.003","90","","649.48","0.03","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0239","0.0239","","","0.0623","0.0624","","","","","","1.057","","","","has coordinates","254794","2020-10-21","18:00:00",""
"4135130","9.1569","0.0002","30.0858","0.0007","9.35117","0.00019","90","","98.262","0.002","90","","2549.44","0.1","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 O5 -","- C28 H36 N2 O5 -","- C112 H144 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0483","0.0408","","","0.1017","0.1065","","","","","","1.081","","","","has coordinates,has disorder","254795","2020-10-21","18:00:00",""
"4135131","10.583","0.0003","22.1488","0.0006","7.6644","0.0002","90","","91.898","0.003","90","","1795.56","0.08","139.99","0.1","139.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C80 H104 N8 O12 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","0.71073","MoKα","","0.0569","0.0439","","","0.1092","0.1183","","","","","","1.023","","","","has coordinates","254796","2020-10-21","18:00:00",""
"4135132","7.5941","0.001","11.684","0.003","11.764","0.003","91.79","0.017","97.291","0.019","102.179","0.017","1010.3","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 F3 N2 O3 -","- C19 H21 F3 N2 O3 -","- C38 H42 F6 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","","0.71073","MoKα","","0.1338","0.0741","","","0.1818","0.2212","","","","","","1.045","","","","has coordinates,has disorder","254797","2020-10-21","18:00:00",""
"4135133","16.496","0.001","6.8584","0.0005","12.8051","0.0008","90","","94.605","0.006","90","","1444.04","0.16","140.01","0.1","140.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0889","0.0638","","","0.1572","0.1798","","","","","","1.035","","","","has coordinates","254798","2020-10-21","18:00:00",""
"4135134","7.4352","0.0007","11.778","0.002","11.8822","0.0012","83.102","0.011","89.166","0.008","76.743","0.011","1005.4","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C44 H56 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0981","0.0785","","","0.2172","0.2395","","","","","","1.033","","","","has coordinates","254799","2020-10-21","18:00:00",""
"4135135","11.5067","0.0004","11.7673","0.0004","15.5305","0.0005","102.988","0.003","97.945","0.003","96.625","0.003","2005.91","0.12","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 I N2 O3 -","- C20 H25 I N2 O3 -","- C80 H100 I4 N8 O12 -","4","2","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0836","0.0846","","","","","","1.031","","","","has coordinates","254800","2020-10-21","18:00:00",""
"4135136","8.3248","0.0002","10.4978","0.0003","14.7652","0.0005","84.564","0.003","87.962","0.003","74.981","0.003","1240.6","0.07","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C50 H68 N4 O10 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.042","0.0353","","","0.0898","0.0945","","","","","","1.038","","","","has coordinates","254801","2020-10-21","18:00:00",""
"4135137","13.313","0.011","16.775","0.014","11.29","0.003","90","","108.53","0.06","90","","2391","3","139.99","0.1","139.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.2593","0.1427","","","0.2924","0.3554","","","","","","0.938","","","","has coordinates","254802","2020-10-21","18:00:00",""
"4135138","6.93221","0.00011","7.41652","0.00012","13.7616","0.0003","90","","92.0002","0.0016","90","","707.09","0.02","139.9","0.4","139.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.084","0.0847","","","","","","1.047","","","","has coordinates","254803","2020-10-21","18:00:00",""
"4135139","7.4744","0.0003","9.0004","0.0003","9.4211","0.0003","90","","93.445","0.003","90","","632.64","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0357","0.0323","","","0.0803","0.0828","","","","","","1.051","","","","has coordinates","254804","2020-10-21","18:00:00",""
"4135140","8.4594","0.0004","17.1371","0.0012","33.46","0.002","90","","90","","90","","4850.7","0.5","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 Si -","- C24 H32 N2 O6 Si -","- C192 H256 N16 O48 Si8 -","8","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.1285","0.065","","","0.1529","0.1952","","","","","","1.029","","","","has coordinates","254805","2020-10-21","18:00:00",""
"4135141","8.46","0.0003","13.8649","0.0004","15.5724","0.0005","105.814","0.003","97.712","0.003","90.105","0.003","1740.15","0.1","163","","163","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 B2 F8 N2 O2 -","- C42 H28 B2 F8 N2 O2 -","- C84 H56 B4 F16 N4 O4 -","2","1","","Karimi, Mohammadjavad; Borthakur, Rosmita; Dorsey, Christopher L.; Chen, Chang-Hong; Lajeune, Sébastien; Gabbai, Francois P.","Bifunctional carbenium dications as metal-free catalysts for the reduction of oxygen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04841","","x-ray","0.71073","MoKα","","0.0805","0.0789","","","0.1513","0.1521","","","","","","1.002","","","","has coordinates","254806","2020-10-21","18:00:00",""
"4135142","18.1316","0.0012","9.3794","0.0008","23.3395","0.0016","90","","92.688","0.006","90","","3964.8","0.5","163","","163","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 B2 F8 N O4 -","- C47 H41 B2 F8 N O4 -","- C188 H164 B8 F32 N4 O16 -","4","1","","Karimi, Mohammadjavad; Borthakur, Rosmita; Dorsey, Christopher L.; Chen, Chang-Hong; Lajeune, Sébastien; Gabbai, Francois P.","Bifunctional carbenium dications as metal-free catalysts for the reduction of oxygen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04841","","x-ray","1.54184","CuKα","","0.1496","0.1056","","","0.25","0.2827","","","","","","1.002","","","","has coordinates","254807","2020-10-21","18:00:00",""
"4135143","9.9804","0.0001","8.616","0.0001","12.822","0.0001","90","","102.111","0.0012","90","","1078.04","0.019","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl F N O -","- C25 H29 Cl F N O -","- C50 H58 Cl2 F2 N2 O2 -","2","1","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0268","0.0265","","0.0706","0.07","0.0706","","","","","","0.9949","","","","has coordinates","254839","2020-10-21","18:00:00",""
"4135144","9.9504","0.0001","10.5265","0.0001","23.7547","0.0004","90","","90","","90","","2488.14","0.05","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl F N -","- C11 H17 Cl F N -","- C88 H136 Cl8 F8 N8 -","8","2","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0382","0.0343","","0.0997","0.0944","0.0997","","","","","","1.0011","","","","has coordinates,has disorder","254839","2020-10-21","18:00:00",""
"4135145","25.93","0.003","25.93","0.003","17.8","0.004","90","","90","","120","","10365","3","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.7","synchrotron","","0.1036","0.0872","","","0.2467","0.2644","","","","","","1.009","","","","has coordinates","255125","2020-10-21","18:00:00",""
"4135146","13.6468","0.0009","13.6468","0.0009","7.0913","0.0004","90","","90","","90","","1320.65","0.14","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C62 H52 N4 -","- C62 H52 N4 -","- C62 H52 N4 -","1","0.25","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.71073","MoKα","","0.0832","0.0572","","","0.1452","0.1617","","","","","","0.907","","","","has coordinates,has disorder","255126","2020-10-21","18:00:00",""
"4135147","25.8466","0.0008","25.8466","0.0008","18.0005","0.0004","90","","90","","120","","10414.1","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Br2 N4 Ni -","- C62 H52 Br2 N4 Ni -","- C372 H312 Br12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.098","0.0901","","","0.2482","0.2583","","","","","","1.15","","","","has coordinates","255127","2020-10-21","18:00:00",""
"4135148","25.912","0.0008","25.912","0.0008","17.7714","0.0004","90","","90","","120","","10333.7","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Cl2 N4 Ni -","- C62 H52 Cl2 N4 Ni -","- C372 H312 Cl12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1054","0.0796","","","0.2159","0.2354","","","","","","1.002","","","","has coordinates,has disorder","255128","2020-10-21","18:00:00",""
"4135149","25.738","0.0018","25.738","0.0018","17.9031","0.001","90","","90","","120","","10270.9","1.2","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1124","0.1031","","","0.295","0.3052","","","","","","1.293","","","","has coordinates","255129","2020-10-21","18:00:00",""
"4135150","13.1368","0.0004","13.5686","0.0005","23.9919","0.0008","103.984","0.001","90.546","0.001","102.001","0.001","4051","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.34 H96.02 F3 Fe4 N6 O4.66 S5 -","- C79.34 H96.02 F3 Fe4 N6 O4.66 S5 -","- C158.68 H192.04 F6 Fe8 N12 O9.32 S10 -","2","1","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0416","0.0345","","","0.0861","0.0913","","","","","","0.998","","","","has coordinates,has disorder","255130","2020-10-21","18:00:00",""
"4135151","14.489","0.0004","22.5108","0.0006","20.7697","0.0005","90","","96.722","0.001","90","","6727.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H79 Fe4 N6 S4 -","- C70 H79 Fe4 N6 S4 -","- C280 H316 Fe16 N24 S16 -","4","1","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0532","0.0338","","","0.0752","0.084","","","","","","1.03","","","","has coordinates","255131","2020-10-21","18:00:00",""
"4135152","22.8252","0.0011","22.8252","0.0011","53.979","0.003","90","","90","","120","","24355","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C78.92 H95.01 F3 Fe4 N8 O4.98 S5 -","- C78.9672 H94.827 F2.9997 Fe3.9999 N7.9998 O4.9917 S4.9999 -","- C947.606 H1137.92 F35.9964 Fe47.9988 N95.9976 O59.9004 S59.9988 -","12","0.333333","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0542","0.0351","","","0.0806","0.095","","","","","","1.139","","","","has coordinates,has disorder","255132","2020-10-21","18:00:00",""
"4135153","31.712","0.005","31.712","0.005","10.0698","0.0014","90","","90","","90","","10127","3","93","","93","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C33 H19 Cd F6 N3 O7 S2 -","- C33 H19 Cd F6 N3 O7 S2 -","- C264 H152 Cd8 F48 N24 O56 S16 -","8","1","","Sato, Hiroshi; Matsui, Toshiya; Chen, Zhiyi; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","Photochemically Crushable and Regenerative Metal‒Organic Framework","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06615","","","0.71075","MoKα","","0.0691","0.0676","","","0.183","0.184","","","","","","1.178","","","","has coordinates","255186","2020-10-21","18:00:00",""
"4135154","12.3534","0.0002","16.8232","0.0003","16.9837","0.0003","90","","96.717","0.001","90","","3505.39","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B Cl2 F10 N2 O -","- C38 H33 B Cl2 F10 N2 O -","- C152 H132 B4 Cl8 F40 N8 O4 -","4","1","","Vidal, Fernando; McQuade, James; Lalancette, Roger; Jäkle, Frieder","ROMP-Boranes as Moisture-Tolerant and Recyclable Lewis Acid Organocatalysts.","Journal of the American Chemical Society","2020","142","34","14427","14431","10.1021/jacs.0c05454","","","1.54178","CuKα","","0.0864","0.0601","","","0.1285","0.1437","","","","","","1.027","","","","has coordinates","255871","2020-10-21","18:00:00",""
"4135155","18.8513","0.0002","18.8513","0.0002","49.401","0.0006","90","","90","","120","","15203.7","0.3","253","1","253","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C86 H51 Cu13 N13 O12 S12 -","- C84 H48 Cu13 N12 O12 S12 -","- C504 H288 Cu78 N72 O72 S72 -","6","0.166667","","Han, Haixiang; Yao, Yuan; Bhargava, Anuj; Wei, Zheng; Tang, Zhichu; Suntivich, Jin; Voznyy, Oleksandr; Robinson, Richard D.","Tertiary Hierarchical Complexity in Assemblies of Sulfur-Bridged Metal Chiral Clusters","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04764","","","1.54184","CuKα","","0.1059","0.1021","","","0.2905","0.2953","","","","","","1.109","","","","has coordinates","255296","2020-10-21","18:00:00",""
"4135156","12.7847","0.0001","15.0435","0.0001","14.647","0.0002","90","","113.055","0.001","90","","2592.01","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 N P2 Zn -","- C24 H45 N P2 Zn -","- C96 H180 N4 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0402","0.0388","","","0.1148","0.1159","","","","","","1.127","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135157","10.6779","0.0003","11.669","0.0003","11.7338","0.0003","84.721","0.002","79.833","0.002","72.012","0.002","1367.64","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N P2 Zn -","- C25 H47 N P2 Zn -","- C50 H94 N2 P4 Zn2 -","2","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0381","0.0367","","","0.1003","0.1021","","","","","","1.064","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135158","15.2477","0.0006","13.1523","0.0004","15.7173","0.0006","90","","117.078","0.005","90","","2806.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 Cl2 N P2 Zn -","- C23 H43 Cl2 N P2 Zn -","- C92 H172 Cl8 N4 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","0.71073","MoKα","","0.0577","0.0385","","","0.0831","0.0882","","","","","","1.07","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135159","20.4697","0.0003","12.0184","0.0002","14.2193","0.0002","90","","92.954","0.001","90","","3493.49","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H60 N2 P2 Si2 Zn -","- C29 H60 N2 P2 Si2 Zn -","- C116 H240 N8 P8 Si8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0435","0.0419","","","0.1093","0.1103","","","","","","1.054","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135160","19.5996","0.0002","7.7111","0.0001","23.492","0.0003","90","","105.151","0.001","90","","3427.04","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Cl N3 O2 P2 Zn -","- C30 H50 Cl N3 O2 P2 Zn -","- C120 H200 Cl4 N12 O8 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0367","0.0358","","","0.0927","0.0934","","","","","","1.065","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135161","28.6002","0.0007","28.6002","0.0007","10.14949","0.00019","90","","90","","120","","7189.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0486","0.0392","","","0.0858","0.0902","","","","","","1.042","","","","has coordinates","255514","2020-10-21","18:00:00",""
"4135162","26.6208","0.0013","26.6208","0.0013","10.1543","0.0004","90","","90","","120","","6231.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.17 H11.46 N3 O3 Zn -","- C11.2 H11.5 N3 O3 Zn -","- C201.6 H207 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0673","0.0639","","","0.1685","0.1718","","","","","","1.102","","","","has coordinates","255515","2020-10-21","18:00:00",""
"4135163","27.9529","0.0009","27.9529","0.0009","10.1479","0.0003","90","","90","","120","","6866.9","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.22 H11.29 N3 O3 Zn -","- C10.222 H11.296 N3 O3 Zn -","- C183.996 H203.328 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0665","0.0587","","","0.1632","0.1679","","","","","","1.108","","","","has coordinates,has disorder","255516","2020-10-21","18:00:00",""
"4135164","28.7263","0.0009","28.7263","0.0009","10.1348","0.0004","90","","90","","120","","7242.8","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.38 H10.55 N3.79 O3.79 Zn -","- C8.382 H10.558 N3.794 O3.794 Zn -","- C150.876 H190.044 N68.292 O68.292 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0652","0.0584","","","0.1639","0.1689","","","","","","1.101","","","","has coordinates,has disorder","255517","2020-10-21","18:00:00",""
"4135165","27.0471","0.0011","27.0471","0.0011","10.1495","0.0004","90","","90","","120","","6430.1","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.93 H10.85 N3 O3.73 Zn -","- C8.924 H10.848 N3 O3.731 Zn -","- C160.632 H195.264 N54 O67.158 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0578","0.0559","","","0.1467","0.1477","","","","","","1.128","","","","has coordinates","255518","2020-10-21","18:00:00",""
"4135166","28.659","0.0013","28.659","0.0013","10.1251","0.0004","90","","90","","120","","7202","0.5","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.83 H8.66 N3 O3.21 Zn -","- C7.84 H8.68 N3 O3.21 Zn -","- C141.12 H156.24 N54 O57.78 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0795","0.078","","","0.2249","0.2261","","","","","","1.142","","","","has coordinates,has disorder","255519","2020-10-21","18:00:00",""
"4135167","28.2634","0.0009","28.2634","0.0009","10.1714","0.0003","90","","90","","120","","7036.6","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0532","0.0492","","","0.1626","0.1664","","","","","","1.099","","","","has coordinates","255520","2020-10-21","18:00:00",""
"4135168","26.5317","0.0007","26.5317","0.0007","10.1159","0.0002","90","","90","","120","","6166.9","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.25 H12 N3 O3 Zn -","- C11.2497 H11.9996 N3 O3 Zn -","- C202.495 H215.993 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.047","0.0446","","","0.1184","0.1198","","","","","","1.037","","","","has coordinates,has disorder","255521","2020-10-21","18:00:00",""
"4135169","26.3829","0.001","26.3829","0.001","10.1215","0.0004","90","","90","","120","","6101.3","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.96 H9.44 N4.48 O3 Zn -","- C8.96 H9.44 N4.48 O3 Zn -","- C161.28 H169.92 N80.64 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0559","0.0477","","","0.1122","0.116","","","","","","1.032","","","","has coordinates,has disorder","255522","2020-10-21","18:00:00",""
"4135170","28.8656","0.001","28.8656","0.001","10.1277","0.0003","90","","90","","120","","7308.1","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C9.73 H13.38 N3.91 O3.91 Zn -","- C9.733 H13.377 N3.911 O3.911 Zn -","- C175.194 H240.786 N70.398 O70.398 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0856","0.0633","","","0.1596","0.1723","","","","","","1.066","","","","has coordinates,has disorder","255523","2020-10-21","18:00:00",""
"4135171","28.0844","0.0006","28.0844","0.0006","10.1209","0.0002","90","","90","","120","","6913.2","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C7.94 H9.67 N3 O3.78 Zn -","- C7.94 H9.656 N3 O3.776 Zn -","- C142.92 H173.808 N54 O67.968 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0444","0.042","","","0.13","0.1324","","","","","","1.182","","","","has coordinates,has disorder","255524","2020-10-21","18:00:00",""
"4135172","28.2673","0.0009","28.2673","0.0009","10.1143","0.0002","90","","90","","120","","6999","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0847","0.0692","","","0.1922","0.2018","","","","","","1.136","","","","has coordinates","255525","2020-10-21","18:00:00",""
"4135173","27.8332","0.0003","27.8332","0.0003","10.14011","0.00014","90","","90","","120","","6802.99","0.14","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.9 H9.85 N3.95 O3 Zn -","- C8.899 H9.8485 N3.9495 O3 Zn -","- C160.182 H177.273 N71.091 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0383","0.0371","","","0.1149","0.1158","","","","","","1.087","","","","has coordinates,has disorder","255526","2020-10-21","18:00:00",""
"4135174","28.3977","0.0008","28.3977","0.0008","10.1062","0.0002","90","","90","","120","","7058.1","0.3","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.54 H11.62 N3 O3.77 S0.77 Zn -","- C8.548 H11.644 N3 O3.774 S0.774 Zn -","- C153.864 H209.592 N54 O67.932 S13.932 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0942","0.0761","","","0.2156","0.2273","","","","","","1.043","","","","has coordinates,has disorder","255527","2020-10-21","18:00:00",""
"4135175","27.0749","0.0011","27.0749","0.0011","10.1437","0.0004","90","","90","","120","","6439.6","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.79 H9.73 N3 O3 Zn -","- C9.784 H9.73 N3 O3 Zn -","- C176.112 H175.14 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0608","0.057","","","0.1509","0.1538","","","","","","1.096","","","","has coordinates,has disorder","255528","2020-10-21","18:00:00",""
"4135176","24.035","0.003","24.035","0.003","10.2251","0.0005","90","","90","","120","","5115.5","0.9","195","","195","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.6889","synchrotron","","0.1019","0.0857","","","0.2207","0.2345","","","","","","1.062","","","","has coordinates","255529","2020-10-21","18:00:00",""
"4135177","27.9972","0.0004","27.9972","0.0004","10.18666","0.00017","90","","90","","120","","6914.99","0.18","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0271","0.0258","","","0.064","0.0645","","","","","","1.05","","","","has coordinates","255530","2020-10-21","18:00:00",""
"4135178","28.3178","0.0004","28.3178","0.0004","10.1489","0.0002","90","","90","","120","","7048","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.97 H10.94 N3 O3.66 Zn -","- C8.9755 H10.951 N3 O3.6585 Zn -","- C161.559 H197.118 N54 O65.853 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0501","0.0474","","","0.1425","0.1446","","","","","","1.12","","","","has coordinates,has disorder","255531","2020-10-21","18:00:00",""
"4135179","29.5677","0.0011","29.5677","0.0011","10.1237","0.0003","90","","90","","120","","7664.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C13.24 H12.24 N3 O3 Zn -","- C13.236 H12.236 N3 O3 Zn -","- C238.248 H220.248 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0767","0.0604","","","0.1459","0.1549","","","","","","1.071","","","","has coordinates,has disorder","255532","2020-10-21","18:00:00",""
"4135180","28.6845","0.0007","28.6845","0.0007","10.1435","0.0002","90","","90","","120","","7227.9","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.54 H8.09 N3 O3.27 Zn -","- C7.542 H8.084 N3 O3.271 Zn -","- C135.756 H145.512 N54 O58.878 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0861","0.0718","","","0.1981","0.2103","","","","","","1.085","","","","has coordinates,has disorder","255533","2020-10-21","18:00:00",""
"4135181","28.1677","0.0004","28.1677","0.0004","10.1579","0.0001","90","","90","","120","","6979.71","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.53 H11.41 N3 O3 Zn -","- C10.532 H11.415 N3 O3 Zn -","- C189.576 H205.47 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0428","0.0396","","","0.1128","0.1151","","","","","","1.125","","","","has coordinates,has disorder","255534","2020-10-21","18:00:00",""
"4135182","28.1768","0.0004","28.1768","0.0004","10.1733","0.0001","90","","90","","120","","6994.81","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0479","0.0463","","","0.1575","0.1594","","","","","","1.158","","","","has coordinates","255535","2020-10-21","18:00:00",""
"4135183","27.7361","0.0009","27.7361","0.0009","10.1353","0.0003","90","","90","","120","","6752.4","0.4","150","","150","","","","","","","","","6","R 3 :H","R 3","146","","","","- C7.69 H8.37 Cl1.37 N3 O3 Zn -","- C7.6835 H8.367 Cl1.367 N3 O3 Zn -","- C138.303 H150.606 Cl24.606 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0756","0.0662","","","0.187","0.1953","","","","","","1.08","","","","has coordinates,has disorder","255536","2020-10-21","18:00:00",""
"4135184","28.9145","0.0003","28.9145","0.0003","10.1521","0.0001","90","","90","","120","","7350.52","0.13","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0577","0.0546","","","0.1767","0.1805","","","","","","1.073","","","","has coordinates","255537","2020-10-21","18:00:00",""
"4135185","28.2675","0.0005","28.2675","0.0005","10.1239","0.0002","90","","90","","120","","7005.7","0.2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.44 H9.16 F2.16 N3 O3.72 Zn -","- C8.439 H9.1585 F2.1585 N3 O3.7195 Zn -","- C151.902 H164.853 F38.853 N54 O66.951 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0678","0.057","","","0.1622","0.1702","","","","","","1.095","","","","has coordinates,has disorder","255538","2020-10-21","18:00:00",""
"4135186","28.3671","0.0009","28.3671","0.0009","10.1749","0.0004","90","","90","","120","","7090.7","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0694","0.0572","","","0.1781","0.1877","","","","","","1.099","","","","has coordinates","255539","2020-10-21","18:00:00",""
"4135187","28.8315","0.0004","28.8315","0.0004","10.1304","0.0002","90","","90","","120","","7292.8","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.74 H8.77 N3 O3.29 Zn -","- C7.7375 H8.77 N3 O3.295 Zn -","- C139.275 H157.86 N54 O59.31 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0526","0.0495","","","0.1559","0.159","","","","","","1.111","","","","has coordinates,has disorder","255540","2020-10-21","18:00:00",""
"4135188","27.0355","0.0009","27.0355","0.0009","10.1431","0.0004","90","","90","","120","","6420.5","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.01 H9.02 N3 O4.01 Zn -","- C8.016 H9.032 N3 O4.008 Zn -","- C144.288 H162.576 N54 O72.144 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0555","0.0508","","","0.1421","0.1451","","","","","","1.177","","","","has coordinates,has disorder","255541","2020-10-21","18:00:00",""
"4135189","26.583","0.0012","26.583","0.0012","10.1311","0.0004","90","","90","","120","","6200.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H10 N3 O3 Zn -","- C10 H10 N3 O3 Zn -","- C180 H180 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0931","0.0811","","","0.2014","0.2094","","","","","","1.115","","","","has coordinates,has disorder","255542","2020-10-21","18:00:00",""
"4135190","27.4717","0.0008","27.4717","0.0008","10.1111","0.0002","90","","90","","120","","6608.5","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8.17 H8.25 F3.25 N3 O4.08 Zn -","- C8.166 H8.249 F3.249 N3 O4.083 Zn -","- C146.988 H148.482 F58.482 N54 O73.494 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0702","0.0641","","","0.1839","0.1903","","","","","","1.05","","","","has coordinates,has disorder","255543","2020-10-21","18:00:00",""
"4135191","26.102","0.002","26.102","0.002","10.1291","0.0005","90","","90","","120","","5976.5","0.7","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.1405","0.1158","","","0.2835","0.2988","","","","","","1.181","","","","has coordinates","255544","2020-10-21","18:00:00",""
"4135192","28.539","0.003","28.539","0.003","10.1528","0.0006","90","","90","","120","","7161.3","1.1","150","","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.1354","0.1092","","","0.2517","0.2676","","","","","","1.131","","","","has coordinates","255545","2020-10-21","18:00:00",""
"4135193","28.5688","0.0005","28.5688","0.0005","10.12978","0.00018","90","","90","","120","","7160","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.5 H10.5 N3.5 O3.5 Zn -","- C8.505 H10.511 N3.501 O3.501 Zn -","- C153.09 H189.198 N63.018 O63.018 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0571","0.0546","","","0.1643","0.1668","","","","","","1.075","","","","has coordinates,has disorder","255546","2020-10-21","18:00:00",""
"4135194","27.7811","0.0008","27.7811","0.0008","10.127","0.0003","90","","90","","120","","6768.8","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.68 H12.35 N3 O4.23 Zn -","- C9.675 H12.35 N3 O4.225 Zn -","- C174.15 H222.3 N54 O76.05 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0675","0.06","","","0.1529","0.1573","","","","","","1.06","","","","has coordinates,has disorder","255547","2020-10-21","18:00:00",""
"4135195","28.1471","0.0004","28.1471","0.0004","10.16708","0.00014","90","","90","","120","","6975.8","0.17","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.26 H8.44 N3 O3 Zn -","- C8.26 H8.44 N3 O3 Zn -","- C148.68 H151.92 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0511","0.0483","","","0.1513","0.154","","","","","","1.064","","","","has coordinates","255548","2020-10-21","18:00:00",""
"4135196","26.5867","0.0014","26.5867","0.0014","10.1323","0.0004","90","","90","","120","","6202.5","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.5 H9 N3 O3 Zn -","- C9.5 H9 N3 O3 Zn -","- C171 H162 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0638","0.0586","","","0.1564","0.1598","","","","","","1.103","","","","has coordinates,has disorder","255549","2020-10-21","18:00:00",""
"4135197","26.5411","0.0014","26.5411","0.0014","10.1419","0.0004","90","","90","","120","","6187.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N3 O3 Zn -","- C9 H8 N3 O3 Zn -","- C162 H144 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0755","0.0641","","","0.1487","0.155","","","","","","1.06","","","","has coordinates,has disorder","255550","2020-10-21","18:00:00",""
"4135198","28.0952","0.0014","28.0952","0.0014","10.1517","0.0005","90","","90","","120","","6939.6","0.6","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C7.51 H9.54 N3 O3.76 S0.76 Zn -","- C7.512 H9.536 N3 O3.756 S0.756 Zn -","- C135.216 H171.648 N54 O67.608 S13.608 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0852","0.0752","","","0.2169","0.2268","","","","","","1.061","","","","has coordinates,has disorder","255551","2020-10-21","18:00:00",""
"4135199","27.1513","0.0006","27.1513","0.0006","10.1334","0.0002","90","","90","","120","","6469.4","0.2","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6.84 H6.68 Cl1.68 N3 O3 Zn -","- C6.842 H6.684 Cl1.684 N3 O3 Zn -","- C123.156 H120.312 Cl30.312 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0741","0.0726","","","0.2109","0.2127","","","","","","1.076","","","","has coordinates","255552","2020-10-21","18:00:00",""
"4135200","26.4227","0.0007","26.4227","0.0007","10.1231","0.0002","90","","90","","120","","6120.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10.82 H11.03 N3 O3 Zn -","- C10.8 H11 N3 O3 Zn -","- C194.4 H198 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0617","0.0585","","","0.1565","0.1596","","","","","","1.083","","","","has coordinates","255554","2020-10-21","18:00:00",""
"4135201","28.1915","0.0006","28.1915","0.0006","10.2028","0.0002","90","","90","","120","","7022.4","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C12.78 H12.78 N3 O3 Zn -","- C12.715 H12.715 N3 O3 Zn -","- C228.87 H228.87 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0528","0.0477","","","0.136","0.1404","","","","","","1.01","","","","has coordinates,has disorder","255555","2020-10-21","18:00:00",""
"4135202","40.5456","0.0007","40.546","","19.6333","0.0004","90","","90","","120","","27952.2","0.7","100","2","99.98","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C96 H52 O36 Zr6 -","- C96 H52 O36 Zr6 -","- C288 H156 O108 Zr18 -","3","0.125","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0612","0.0477","","","0.1471","0.1547","","","","","","1.079","","","","has coordinates","255870","2020-10-21","18:00:00",""
"4135203","41.321","0.004","41.321","","19.208","0.002","90","","90","","120","","28402","4","293","2","293.38","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C14.25 H10 F1.5 O4.5 Zr0.75 -","- C13.75 H8.5 O4.5 Zr0.75 -","- C330 H204 O108 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0854","0.0589","","","0.1622","0.1712","","","","","","1.107","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135204","40.8928","0.0008","40.893","","19.2023","0.0004","90","","90","","120","","27808.6","0.8","100","2","99.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C14.65 H8.2 Cl0 N0.45 O4.75 Ru0.12 Zr0.75 -","- C14.9 H8 N0.45 O4.75 Ru0.125 Zr0.75 -","- C357.6 H192 N10.8 O114 Ru3 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.1354","0.1002","","","0.3012","0.3272","","","","","","1.108","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135205","14.4913","0.0004","18.099","0.0005","25.5467","0.0007","90","","90","","90","","6700.3","0.3","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N6 O7 Ru -","- C32 H22 N6 O7 Ru -","- C256 H176 N48 O56 Ru8 -","8","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0651","0.0632","","","0.1853","0.1865","","","","","","1.185","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135206","12.6771","0.0015","5.6603","0.0007","13.2825","0.0015","90","","112.322","0.0018","90","","881.68","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Br F2 N4 O2 -","- C18 H15 Br F2 N4 O2 -","- C36 H30 Br2 F4 N8 O4 -","2","1","","Levin, Mark D.; Ovian, John M.; Read, Jacquelyne A.; Sigman, Matthew S.; Jacobsen, Eric N.","Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides.","Journal of the American Chemical Society","2020","142","35","14831","14837","10.1021/jacs.0c07043","","","0.71073","MoKα","","0.0683","0.0505","","","0.1106","0.1193","","","","","","1.026","","","","has coordinates","255869","2020-10-21","18:00:00",""
"4135207","13.6391","0.0006","7.6769","0.0003","18.8407","0.0008","90","","106.859","0.002","90","","1887.95","0.14","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H13 Br N2 O6 -","- C19 H13 Br N2 O6 -","- C76 H52 Br4 N8 O24 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.0851","0.0516","","","0.1522","0.1715","","","","","","1.026","","","","has coordinates","255665","2020-10-21","18:00:00",""
"4135208","10.5663","0.0007","12.6322","0.0008","22.8317","0.0014","90","","92.385","0.003","90","","3044.8","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H33 Cu I N2 O2 P -","- C30 H33 Cu I N2 O2 P -","- C120 H132 Cu4 I4 N8 O8 P4 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.1044","0.089","","","0.251","0.2673","","","","","","1.022","","","","has coordinates","255666","2020-10-21","18:00:00",""
"4135209","11.6082","0.0004","12.8385","0.0004","21.5239","0.0007","75.264","0.001","81.793","0.001","65.578","0.001","2822.09","0.16","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H78 N4 O10 -","- C61 H78 N4 O10 -","- C122 H156 N8 O20 -","2","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.0765","0.0645","","","0.1781","0.1871","","","","","","1.039","","","","has coordinates,has disorder","255693","2020-10-21","18:00:00",""
"4135210","12.6366","0.0004","15.8733","0.0006","16.1976","0.0006","66.788","0.001","79.799","0.001","71.514","0.001","2826.85","0.18","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N2 O10 -","- C56 H68 N2 O10 -","- C112 H136 N4 O20 -","2","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.0566","0.0432","","","0.1093","0.1177","","","","","","1.028","","","","has coordinates,has disorder","255694","2020-10-21","18:00:00",""
"4135211","18.7932","0.0011","12.7208","0.0006","24.3108","0.0013","90","","100.886","0.002","90","","5707.3","0.5","170","2","170.01","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C57 H80 N6 O10 -","- C57 H80 N6 O10 -","- C228 H320 N24 O40 -","4","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.1764","0.0974","","","0.2821","0.3422","","","","","","1.03","","","","has coordinates,has disorder","255695","2020-10-21","18:00:00",""
"4135212","13.482","0.0006","17.7729","0.0007","21.1215","0.001","90","","94.377","0.004","90","","5046.3","0.4","170.6","","170.6","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H63 N O10 -","- C53 H63 N O10 -","- C212 H252 N4 O40 -","4","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.103","0.0572","","","0.127","0.1548","","","","","","1.018","","","","has coordinates","255696","2020-10-21","18:00:00",""
"4135213","9.176","0.0002","9.948","0.0002","15.9081","0.0003","90","","99.787","0.001","90","","1431","0.05","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H49 N O3 S Si -","- C25 H49 N O3 S Si -","- C50 H98 N2 O6 S2 Si2 -","2","1","","Nicolaou, K. C.; Krieger, Johannes; Murhade, Ganesh M.; Subramanian, Parthasarathi; Dherange, Balu D.; Vourloumis, Dionisios; Munneke, Stefan; Lin, Baiwei; Gu, Christine; Sarvaiaya, Hetal; Sandoval, Joseph; Zhang, Zhaomei; Aujay, Monette; Purcell, James W.; Gavrilyuk, Julia","Streamlined Symmetrical Total Synthesis of Disorazole B1 and Design, Synthesis, and Biological Investigation of Disorazole Analogues","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07094","","x-ray","1.54178","CuKα","","0.0233","0.0229","","","0.0596","0.06","","","","","","1.038","","","","has coordinates,has disorder","255697","2020-10-21","18:00:00",""
"4135214","10.9661","0.0006","20.2493","0.0011","12.9096","0.0007","90","","102.242","0.002","90","","2801.5","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H35 Cl Ni O3 P2 S -","- C26.5 H35 Cl Ni O3 P2 S -","- C106 H140 Cl4 Ni4 O12 P8 S4 -","4","1","","Entz, Emily D.; Russell, John; Hooker, Leidy; Neufeldt, Sharon R.","Small Phosphine Ligands Enable Selective Oxidative Addition of Ar-O over Ar-Cl Bonds at Nickel(0).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06995","","x-ray","0.71073","MoKα","","0.0709","0.0534","","","0.1298","0.1453","","","","","","1.039","","","","has coordinates,has disorder","255718","2020-10-21","18:00:00",""
"4135215","23.011","0.01","16.617","0.009","21.113","0.009","90","","91.04","0.03","90","","8072","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H96 F12 N2 O5 P2 -","- C95 H96 F12 N2 O5 P2 -","- C380 H384 F48 N8 O20 P8 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","0.71073","MoKα","","0.1622","0.0732","","","0.1862","0.2059","","","","","","1.004","","","","has coordinates,has disorder","255758","2020-10-21","18:00:00",""
"4135216","21.8","0.009","18.632","0.008","20.532","0.008","90","","102.05","0.05","90","","8156","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H96 F12 N2 O5 P2 -","- C97 H96 F12 N2 O5 P2 -","- C388 H384 F48 N8 O20 P8 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","1.54184","CuKα","","0.3169","0.1082","","","0.1297","0.168","","","","","","0.875","","","","has coordinates","255759","2020-10-21","18:00:00",""
"4135217","12.027","0.002","16.806","0.003","19.642","0.004","72.1","0.05","84.41","0.04","85.99","0.04","3756.7","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H104.4 O8.2 -","- C90 H104.4 O8.2 -","- C180 H208.8 O16.4 -","2","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.54184","CuKα","","0.1039","0.0775","","","0.2021","0.2405","","","","","","1.04","","","","has coordinates,has disorder","255760","2020-10-21","18:00:00",""
"4135218","19.335","0.01","20.831","0.011","21.77","0.012","117.13","0.05","97.39","0.05","90.8","0.05","7712","8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C96.5 H96 O8.5 -","- C96.5 H96 O8.5 -","- C386 H384 O34 -","4","2","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","1.54184","CuKα","","0.2597","0.1163","","","0.2483","0.3428","","","","","","1.003","","","","has coordinates,has disorder","255761","2020-10-21","18:00:00",""
"4135219","16.394","0.007","24.705","0.01","18.366","0.007","90","0.03","92.58","0.04","90","0.03","7431","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C83.2 H84.4 Cl6.4 O4 -","- C83.2 H84.4 Cl6.4 O4 -","- C332.8 H337.6 Cl25.6 O16 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.5418","CuKα","","0.1207","0.1029","","","0.2682","0.2891","","","","","","1.667","","","","has coordinates,has disorder","255762","2020-10-21","18:00:00",""
"4135220","32.979","0.005","18.11","0.003","25.513","0.005","90","","90","","90","","15238","5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C98 H96 O4 -","- C98 H96 O4 -","- C784 H768 O32 -","8","2","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.54184","CuKα","","0.1053","0.0827","","","0.2146","0.2355","","","","","","1.09","","","","has coordinates,has disorder","255763","2020-10-21","18:00:00",""
"4135221","30.2999","0.0014","32.5605","0.0013","34.8099","0.0018","90","","90","","90","","34343","3","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C896 H1552 Cr60 F68 N16 Ni16 O308 S8 -","4","1","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","","1.54184","CuKα","","0.1921","0.1808","","","0.4311","0.4414","","","","","","1.888","","","","has coordinates","255839","2020-10-21","18:00:00",""
"4135222","30.139","0.0006","52.7563","0.0009","30.1676","0.0008","90","","90","","90","","47967.2","1.8","150.01","0.11","150.01","0.11","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C315 H543 Cr27 F24 N6 O109 S3 -","- C315 H543 Cr27 F24 N6 O109 S3 -","- C1260 H2172 Cr108 F96 N24 O436 S12 -","4","0.5","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","x-ray","0.71073","MoKα","","0.1879","0.1471","","","0.3688","0.4074","","","","","","1.365","","","","has coordinates,has disorder","255840","2020-10-21","18:00:00",""
"4135223","6.7374","0.0006","13.1786","0.0013","14.477","0.0012","75.796","0.004","82.956","0.004","78.182","0.004","1216.14","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwjcop1","","","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","1","0.5","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0379","0.0312","","","0.0622","0.0656","","","","","","1.036","","","","has coordinates,has disorder","257116","2020-10-21","18:00:00",""
"4135224","17.1369","0.0008","12.7322","0.0006","12.0144","0.0005","90","","103.187","0.002","90","","2552.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cop1_py","","","- C27 H30 B Cl F2 N4 Pd -","- C27 H30 B Cl F2 N4 Pd -","- C108 H120 B4 Cl4 F8 N16 Pd4 -","4","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0215","0.0205","","","0.056","0.0567","","","","","","1.06","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135225","6.815","","7.825","","20.231","0.001","98.326","0.002","91.92","0.002","100.133","0.002","1048.92","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","rxnCOP1","","","- C23 H26 B F2 N3 O2 -","- C23 H26 B F2 N3 O2 -","- C46 H52 B2 F4 N6 O4 -","2","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0453","0.038","","","0.0928","0.0984","","","","","","1.03","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135226","18.123","0.003","9.381","0.002","12.241","0.003","90","","119.36","0.02","90","","1813.8","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H35 Li N2 -","- C19 H35 Li N2 -","- C76 H140 Li4 N8 -","4","1","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.029","0.029","","","","0.034","","","","","","2.36","","","","has coordinates","255844","2020-10-21","18:00:00",""
"4135227","8.389","0.002","11.624","0.002","13.213","0.003","114.52","0.03","95.98","0.02","91.19","0.02","1163","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H44 Li2 N2 -","- C22 H44 Li2 N2 -","- C44 H88 Li4 N4 -","2","1","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.022","0.022","","","","0.017","","","","","","1.817","","","","has coordinates","255845","2020-10-21","18:00:00",""
"4135228","22.246","0.003","9.093","0.002","17.511","0.002","90","","126.51","0.02","90","","2847","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 Li4 N2 -","- C26 H54 Li4 N2 -","- C104 H216 Li16 N8 -","4","0.5","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.023","0.023","","","","0.04","","","","","","5.763","","","","has coordinates","255846","2020-10-21","18:00:00",""
"4135229","12.1264","0.0003","9.0714","0.0002","20.8156","0.0006","90","","95.4095","0.001","90","","2279.59","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NT2","","","- C17 H30 Br F6 N3 Ni -","- C17 H30 Br F6 N3 Ni -","- C68 H120 Br4 F24 N12 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","1.54178","CuKα","","0.0387","0.0349","","","0.0823","0.0843","","","","","","1.155","","","","has coordinates,has disorder","255847","2020-10-21","18:00:00",""
"4135230","9.485","0.0003","23.4562","0.0007","8.9525","0.0002","90","","110.58","0.0014","90","","1864.67","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NT1","","","- C14 H21 Br F6 N2 Ni -","- C14 H21 Br F6 N2 Ni -","- C56 H84 Br4 F24 N8 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","1.54178","CuKα","","0.0374","0.0314","","","0.0715","0.0747","","","","","","1.133","","","","has coordinates,has disorder","255848","2020-10-21","18:00:00",""
"4135231","11.3083","0.0005","22.6701","0.0011","7.3209","0.0003","90","","100.676","0.0018","90","","1844.3","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NT3","","","- C16 H21 Br F6 N2 Ni -","- C16 H21 Br F6 N2 Ni -","- C64 H84 Br4 F24 N8 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","0.71073","MoKα","","0.0492","0.0329","","","0.0675","0.0719","","","","","","1.064","","","","has coordinates,has disorder","255849","2020-10-21","18:00:00",""
"4135232","11.7169","0.0015","13.0843","0.0017","13.9715","0.0018","110.79","0.002","94.411","0.002","96.326","0.002","1974.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H35 Cl3 N4 O3 -","- C46 H35 Cl3 N4 O3 -","- C92 H70 Cl6 N8 O6 -","2","1","","Ma, Chun; Sheng, Feng-Tao; Wang, Hai-Qing; Deng, Shuang; Zhang, Yu-Chen; Jiao, Yinchun; Tan, Wei; Shi, Feng","Atroposelective Access to Oxindole-Based Axially Chiral Styrenes via the Strategy of Catalytic Kinetic Resolution.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00208","","","0.71073","MoKα","","0.0901","0.0637","","","0.1785","0.2009","","","","","","1.045","","","","has coordinates","255850","2020-10-21","18:00:00",""
"4135233","11.9932","0.0003","12.6212","0.0003","17.8528","0.0004","86.402","0.001","87.426","0.001","65.937","0.001","2462.09","0.1","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","4","","Ma, Chun; Sheng, Feng-Tao; Wang, Hai-Qing; Deng, Shuang; Zhang, Yu-Chen; Jiao, Yinchun; Tan, Wei; Shi, Feng","Atroposelective Access to Oxindole-Based Axially Chiral Styrenes via the Strategy of Catalytic Kinetic Resolution.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00208","","","1.34139","GaKα","","0.0454","0.0435","","","0.1186","0.1207","","","","","","1.042","","","","has coordinates","255851","2020-10-21","18:00:00",""
"4135234","5.5291","0.0002","9.2918","0.0004","31.0756","0.0012","90","","90","","90","","1596.52","0.11","123","2","123.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O2 S -","- C17 H17 Cl O2 S -","- C68 H68 Cl4 O8 S4 -","4","1","","Zhang, Qinglong; Dong, Dongfang; Zi, Weiwei","Palladium-Catalyzed Regio- and Enantioselective Hydrosulfonylation of 1,3-Dienes with Sulfinic Acids: Scope, Mechanism, and Origin of Selectivity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05976","","x-ray","0.71073","MoKα","","0.0403","0.0354","","","0.083","0.087","","","","","","1.01","","","","has coordinates","255901","2020-10-21","18:00:00",""
"4135235","11.2473","0.0019","12.2989","0.0014","12.6264","0.0018","71.197","0.006","67.507","0.004","70.565","0.004","1483.2","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 F26 N -","- C25 H15 F26 N -","- C50 H30 F52 N2 -","2","1","","Lim, Irene; Vian, Antoine; van de Wouw, Heidi; Day, Rachael A.; Gomez, Carlos; Liu, Yucen; Rheingold, Arnold L.; Campas, Otger; Sletten, Ellen M.","Fluorous soluble cyanine dyes for visualizing perfluorocarbons in living systems.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07761","","x-ray","0.71073","MoKα","","0.0607","0.0374","","","0.0775","0.0867","","","","","","1.009","","","","has coordinates","255902","2020-10-21","18:00:00",""
"4135236","16.0766","0.0006","8.861","0.0003","10.0045","0.0004","90","","90","","90","","1425.19","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0203","0.0187","","","0.0459","0.0463","","","","","","0.98","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135237","16.8492","0.0009","8.7623","0.0004","19.0314","0.001","90","","100.588","0.005","90","","2761.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.7107","MoKα","","0.059","0.0442","","","0.1171","0.1257","","","","","","1.041","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135238","9.3491","0.0004","9.3991","0.0004","18.1237","0.0008","90","","96.9317","0.0012","90","","1580.95","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0594","0.0467","","","0.121","0.1288","","","","","","1.03","","","","has coordinates,has disorder","257121","2020-10-21","18:00:00",""
"4135239","10.7611","0.0015","8.0387","0.0006","26.664","0.003","90","","92.145","0.004","90","","2305","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Br N2 Ni -","- C26 H31 Br N2 Ni -","- C104 H124 Br4 N8 Ni4 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0603","0.0344","","","0.0639","0.0707","","","","","","1.023","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135240","13.8725","0.0009","12.4952","0.0007","15.8443","0.0009","90","","90","","90","","2746.4","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C100 H80 Br8 Cl8 F24 N16 Ni4 -","2","0.25","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0686","0.0626","","","0.1515","0.1538","","","","","","1.203","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135241","8.656","0.0008","11.3735","0.0008","27.925","0.002","90","","90","","90","","2749.2","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0834","0.0607","","","0.1564","0.1745","","","","","","1.03","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135242","13.8194","0.0013","15.7357","0.0015","14.0798","0.0013","90","","115.166","0.002","90","","2771.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 B Br N7 O P W -","- C21 H37 B Br N7 O P W -","- C84 H148 B4 Br4 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.043","0.0253","","","0.0518","0.0595","","","","","","1.062","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135243","41.31","0.0019","41.31","0.0019","11.032","0.003","90","","90","","120","","16304","5","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H45 B N7 O2 P W -","- C28 H45 B N7 O2 P W -","- C504 H810 B18 N126 O36 P18 W18 -","18","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.0811","0.0472","","","0.0867","0.0962","","","","","","1.008","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135244","14.2624","0.0017","24.788","0.003","10.7571","0.0011","90","","99.649","0.003","90","","3749.2","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H54 B F3 N7 O P W -","- C32.993 H53.995 B F2.997 N7 O P W -","- C131.972 H215.98 B4 F11.988 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1046","0.0491","","","0.0861","0.1008","","","","","","0.965","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135245","11.465","0.002","11.7033","0.0018","13.76","0.002","66.976","0.004","89.73","0.004","88.613","0.004","1698.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H41 B F6 N7 O P W -","- C29 H41 B F6 N7 O P W -","- C58 H82 B2 F12 N14 O2 P2 W2 -","2","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1363","0.0701","","","0.1267","0.1523","","","","","","1.045","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135246","11.9475","0.0005","15.6261","0.0006","16.6514","0.0008","90","","94.128","0.001","90","","3100.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H47 B N7 O P W -","- C27 H47 B N7 O P W -","- C108 H188 B4 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.042","0.0266","","","0.0498","0.0538","","","","","","1.018","","","","has coordinates","256359","2020-10-21","18:00:00",""
"4135247","13.1384","0.0015","14.6742","0.0017","21.777","0.003","97.443","0.004","93.751","0.004","97.774","0.004","4110.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H110 B2 F6 N14 O7 P2 W2 -","- C69 H110 B2 F6 N14 O7 P2 W2 -","- C138 H220 B4 F12 N28 O14 P4 W4 -","2","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1082","0.0489","","","0.0858","0.1016","","","","","","0.99","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135248","32.3336","0.001","33.9663","0.0008","51.4808","0.0015","90","","90","","90","","56539","3","209","100","209","100","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0973","0.0421","","","0.1162","0.1419","","","","","","0.881","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135249","32.3016","0.001","34.0393","0.0011","50.8944","0.0014","90","","90","","90","","55960","3","295","1","295","1","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0596","0.0426","","","0.1238","0.1368","","","","","","0.975","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135250","10.5727","0.0002","9.663","0.0002","38.7804","0.0006","90","","91.267","0.002","90","","3960.99","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 N O5 -","- C39 H25 N O5 -","- C156 H100 N4 O20 -","4","1","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0902","0.0854","","","0.2274","0.2316","","","","","","1.072","","","","has coordinates,has disorder","257122","2020-10-21","18:00:00",""
"4135251","31.963","0.0017","9.805","0.0005","15.0555","0.0008","90","","112.711","0.003","90","","4352.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C184 H200 Br8 N16 O24 -","8","1","","Chan, Jessica Z.; Yesilcimen, Ahmet; Cao, Min; Zhang, Yuyang; Zhang, Bochao; Wasa, Masayuki","Direct Conversion of <i>N</i>-Alkylamines to <i>N</i>-Propargylamines through C-H Activation Promoted by Lewis Acid/Organocopper Catalysis: Application to Late-Stage Functionalization of Bioactive Molecules.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08599","","","1.54178","CuKα","","0.0826","0.0611","","","0.1753","0.1919","","","","","","1.071","","","","has coordinates,has disorder","256393","2020-10-21","18:00:00",""
"4135252","9.3543","0.0002","9.4109","0.0002","11.0915","0.0003","88.4588","0.0014","70.3721","0.0013","70.9637","0.0013","865.63","0.04","100","","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 B Br O2 -","- C16 H28 B Br O2 -","- C32 H56 B2 Br2 O4 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0246","0.0216","","","0.0526","0.0538","","","","","","1.039","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135253","38.7408","0.0009","6.1921","0.0001","17.4843","0.0004","90","","98.748","0.001","90","","4145.46","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 B O3 -","- C23 H33 B O3 -","- C184 H264 B8 O24 -","8","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0482","0.0397","","","0.094","0.0992","","","","","","1.021","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135254","14.1029","0.0005","11.3545","0.0004","13.1218","0.0005","90","","98.427","0.003","90","","2078.53","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B O4 -","- C22 H33 B O4 -","- C88 H132 B4 O16 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0719","0.0499","","","0.146","0.1631","","","","","","1.071","","","","has coordinates,has disorder","257117","2020-10-21","18:00:00",""
"4135255","6.2461","0.0002","6.9103","0.0002","22.7041","0.0006","90","","94.1036","0.0016","90","","977.45","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O S -","- C11 H12 O S -","- C44 H48 O4 S4 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0341","0.0305","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135256","6.6532","0.0002","19.3711","0.0006","28.5231","0.0009","102.053","0.002","91.973","0.002","90.586","0.002","3592.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 B O4 -","- C17 H29 B O4 -","- C136 H232 B8 O32 -","8","4","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0834","0.0589","","","0.1519","0.1657","","","","","","1.024","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135257","10.0127","0.0003","11.0765","0.0004","10.3165","0.0004","90","","91.013","0.002","90","","1143.98","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 B O3 -","- C26 H33 B O3 -","- C52 H66 B2 O6 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0528","0.0417","","","0.0813","0.0868","","","","","","1.015","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135258","5.7066","0.0004","8.4577","0.0006","30.146","0.002","90","","90","","90","","1454.99","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","x-ray","1.54178","CuKα","","0.055","0.0432","","","0.104","0.1175","","","","","","1.061","","","","has coordinates","256674","2020-10-21","18:00:00",""
"4135259","5.71444","0.00017","8.4542","0.0003","30.1647","0.0009","90","","90","","90","","1457.29","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","","1.54184","CuKα","","0.0418","0.0381","","","0.0976","0.0995","","","","","","1.07","","","","has coordinates","256675","2020-10-21","18:00:00",""
"4135260","16.4049","0.0012","16.8227","0.0013","18.9102","0.0014","90","","87.971","0.002","90","","5215.5","0.7","145","","145","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Cl2 N Si2 Zr -","- C22 H32 B Cl2 N Si2 Zr -","- C176 H256 B8 Cl16 N8 Si16 Zr8 -","8","2","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.1347","0.072","","","0.1531","0.1764","","","","","","1.055","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135261","9.632","0.0005","10.2599","0.0006","13.7887","0.0007","91.44","0.002","98.925","0.002","99.721","0.002","1324.97","0.12","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H42 B N3 Si2 -","- C23 H42 B N3 Si2 -","- C46 H84 B2 N6 Si4 -","2","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0612","0.0427","","","0.0951","0.105","","","","","","1.025","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135262","9.5798","0.0009","20.813","0.002","10.2723","0.001","90","","107.734","0.003","90","","1950.8","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B11 N Si2 -","- C8 H28 B11 N Si2 -","- C32 H112 B44 N4 Si8 -","4","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0722","0.0465","","","0.1082","0.1214","","","","","","1.034","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135263","9.6845","0.0005","19.2174","0.0011","16.6527","0.0008","90","","92.683","0.002","90","","3095.9","0.3","104","2","104.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 B11 N3 Si2 -","- C19 H48 B11 N3 Si2 -","- C76 H192 B44 N12 Si8 -","4","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0616","0.056","","","0.153","0.159","","","","","","1.0398","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135264","30.7532","0.0012","30.7532","0.0012","23.0554","0.0004","90","","90","","90","","21804.9","1.3","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0659","0.0493","","","0.1079","0.1152","","","","","","1.026","","","","has coordinates,has disorder","256949","2020-10-21","18:00:00",""
"4135265","30.7803","0.0014","30.7803","0.0014","23.1544","0.0005","90","","90","","90","","21937.1","1.5","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H224 Eu8 F168 N24 O64 -","- C356 H224 Eu8 F168 N24 O64 -","- C712 H448 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0722","0.0489","","","0.1057","0.1153","","","","","","1.018","","","","has coordinates,has disorder","256950","2020-10-21","18:00:00",""
"4135266","5.0938","0.0003","14.6539","0.001","18.6644","0.0012","80.974","0.006","89.293","0.006","82.793","0.006","1365.03","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H9 F21 O6 -","- C24 H9 F21 O6 -","- C48 H18 F42 O12 -","2","1","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.08","0.0579","","","0.1458","0.1598","","","","","","1.065","","","","has coordinates","256951","2020-10-21","18:00:00",""
"4135267","30.7047","0.0018","30.7047","0.0018","23.1299","0.0007","90","","90","","90","","21806.4","1.9","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H204 Eu8 F168 N24 O64 -","- C356 H204 Eu8 F168 N24 O64 -","- C712 H408 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.1044","0.067","","","0.1502","0.1673","","","","","","1.033","","","","has coordinates,has disorder","256952","2020-10-21","18:00:00",""
"4135268","30.7233","0.0013","30.7233","0.0013","23.0251","0.0005","90","","90","","90","","21733.9","1.4","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0746","0.0489","","","0.1031","0.1171","","","","","","1.039","","","","has coordinates,has disorder","256953","2020-10-21","18:00:00",""
"4135269","24.146","0.001","9.8138","0.0004","7.8489","0.0003","90","","91.965","0.004","90","","1858.81","0.13","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Cl2 Fe I N Pb -","- C14 H20 Cl2 Fe I N Pb -","- C56 H80 Cl8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0441","0.0357","","","0.1007","0.1035","","","","","","1.102","","","","has coordinates","258709","2020-11-04","01:23:00",""
"4135270","25.8959","0.0016","10.0928","0.0005","7.944","0.0004","90","","93.798","0.005","90","","2071.7","0.19","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Fe I3 N Pb -","- C14 H20 Fe I3 N Pb -","- C56 H80 Fe4 I12 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0637","0.0611","","","0.1742","0.1764","","","","","","1.099","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135271","25.248","0.003","10.0268","0.0007","7.9347","0.0007","90","","92.55","0.009","90","","2006.7","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Br2 Fe I N Pb -","- C14 H20 Br2 Fe I N Pb -","- C56 H80 Br8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0499","0.0468","","","0.1324","0.1341","","","","","","1.128","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135272","11.9642","0.0002","26.3927","0.0004","21.6924","0.0003","90","","90.1923","0.0007","90","","6849.72","0.18","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0713","0.0634","","","0.1692","0.1764","","","","","","1.039","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135273","11.9689","0.0002","26.3969","0.0005","21.6869","0.0004","90","","90.193","0.001","90","","6851.8","0.2","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0737","0.0686","","","0.1877","0.1921","","","","","","1.027","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135274","11.0288","0.0002","14.2907","0.0003","14.774","0.0003","70.148","0.001","70.769","0.001","84.111","0.001","2067.82","0.07","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H33 Cl3 N4 O -","- C53 H33 Cl3 N4 O -","- C106 H66 Cl6 N8 O2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0743","0.0578","","","0.143","0.1605","","","","","","1.005","","","","has coordinates,has disorder","258707","2020-11-04","01:22:24",""
"4135275","10.7802","0.0004","16.7891","0.0006","23.3522","0.0009","88.514","0.001","81.094","0.001","73.999","0.001","4013.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 Cl2 N4 O -","- C53 H34 Cl2 N4 O -","- C212 H136 Cl8 N16 O4 -","4","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.155","0.1076","","","0.2889","0.3298","","","","","","1.022","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135276","9.2451","0.0007","20.9753","0.0016","37.803","0.003","90","","90","","90","","7330.7","1","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H32 N4 S -","- C52 H32 N4 S -","- C416 H256 N32 S8 -","8","1","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.1346","0.0627","","","0.1263","0.1601","","","","","","0.996","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135277","10.9982","0.0009","16.8852","0.0014","23.75","0.002","88.085","0.003","79.744","0.003","73.887","0.002","4169","0.6","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C105 H65 Cl3 N8 S2 -","- C105 H65 Cl3 N8 S2 -","- C210 H130 Cl6 N16 S4 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.157","0.0904","","","0.2195","0.2716","","","","","","1.017","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135278","10.7744","0.0011","13.9056","0.0015","15.4119","0.0015","109.438","0.003","107.172","0.003","93.623","0.003","2046.7","0.4","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H34 Cl2 N4 S -","- C53 H34 Cl2 N4 S -","- C106 H68 Cl4 N8 S2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.169","0.0927","","","0.2361","0.3014","","","","","","1.015","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135279","10.8332","0.0004","15.6637","0.0006","43.2298","0.0016","90","","92.527","0.002","90","","7328.4","0.5","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H32 N4 O -","- C52 H32 N4 O -","- C416 H256 N32 O8 -","8","4","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0982","0.0945","","","0.2557","0.2579","","","","","","1.074","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135280","8.9752","0.0003","12.9775","0.0004","14.8463","0.0005","71.874","0.001","85.865","0.001","84.038","0.001","1633.08","0.09","170","2","170","","","","","","","","","6","P 1","P 1","1","","","","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","1","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0555","0.0551","","","0.1508","0.1514","","","","","","1.018","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135281","7.7185","0.0002","19.1801","0.0006","8.914","0.0003","90","","97.217","0.001","90","","1309.19","0.07","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C62 H52 N4 O10 -","2","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0287","0.0287","","","0.0731","0.0732","","","","","","1.064","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135282","25.4658","0.0013","25.5043","0.0012","25.6054","0.0012","67.082","0.004","85.207","0.004","84.085","0.004","15219","1.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C444 H224 Au110 F144 N2 -","- C432 H194 Au110 F144 -","- C432 H194 Au110 F144 -","1","0.5","","Wang, Jia-Qi; Shi, Shuang; He, Rui-Lin; Yuan, Shang-Fu; Yang, Gao-Yuan; Liang, Gui-Jie; Wang, Quan-Ming","Total Structure Determination of the Largest Alkynyl-Protected fcc Gold Nanocluster Au<sub>110</sub> and the Study on Its Ultrafast Excited-State Dynamics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07397","","x-ray","1.54184","CuKα","","0.1595","0.0836","","","0.1971","0.2392","","","","","","0.787","","","","has coordinates","258306","2020-10-21","18:00:00",""
"4135283","7.818","0.0007","10.0517","0.0009","13.0676","0.0011","95.658","0.002","91.485","0.002","94.652","0.002","1017.94","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H24 B10 -","- C34 H48 B20 -","2","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1212","0.0809","","","0.2417","0.2847","","","","","","1.035","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135284","11.0304","0.0013","9.9701","0.0012","15.231","0.0017","90","","107.563","0.008","90","","1596.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C44 H72 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1292","0.066","","","0.1595","0.198","","","","","","1.01","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135285","10.5403","0.0005","14.201","0.0005","15.1636","0.0006","65.4693","0.0019","75.0948","0.0019","71.5823","0.0019","1938.09","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 B10 -","- C15 H26 B10 -","- C60 H104 B40 -","4","2","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1255","0.0832","","","0.25","0.2931","","","","","","1.028","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135286","16.7399","0.0007","12.5493","0.0005","22.3515","0.0011","90","","90","","90","","4695.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B10 -","- C19 H34 B10 -","- C152 H272 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1748","0.0936","","","0.246","0.2951","","","","","","1.023","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135287","15.046","0.0003","7.8624","0.0002","15.3076","0.0003","90","","95.3224","0.0012","90","","1803.05","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B10 -","- C15 H20 B10 -","- C60 H80 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0593","0.0503","","","0.1416","0.1512","","","","","","1.072","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135288","26.7508","0.0014","8.5536","0.0004","25.4822","0.0012","90","","118.6","0.0015","90","","5119.3","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 B10 N O -","- C20 H37 B10 N O -","- C160 H296 B80 N8 O8 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1008","0.0601","","","0.136","0.157","","","","","","1.036","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135289","16.4151","0.0008","12.5821","0.0006","21.684","0.0012","90","","90","","90","","4478.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0996","0.0625","","","0.1652","0.1942","","","","","","1.024","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135290","30.0485","0.0014","10.8314","0.0005","23.7342","0.0011","90","","102.004","0.0015","90","","7555.8","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 B20 -","- C28 H50 B20 -","- C224 H400 B160 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1013","0.0657","","","0.1756","0.206","","","","","","1.031","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135291","15.086","0.0007","12.9393","0.0006","11.5931","0.0005","90","","102.262","0.0014","90","","2211.37","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C72 H128 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1014","0.0599","","","0.137","0.1618","","","","","","1.051","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135292","14.3162","0.0005","7.2812","0.0003","19.0278","0.0007","90","","90","","90","","1983.44","0.13","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H26 B10 O -","- C15 H26 B10 O -","- C60 H104 B40 O4 -","4","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0656","0.0564","","","0.1589","0.1723","","","","","","1.06","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135293","7.0829","0.0002","24.8661","0.0007","10.414","0.0003","90","","130.943","0.0011","90","","1385.45","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 B20 -","- C16 H30 B20 -","- C32 H60 B40 -","2","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.077","0.0557","","","0.1557","0.1715","","","","","","1.056","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135294","13.2198","0.0009","19.9501","0.0014","21.0748","0.0014","69.421","0.007","75.275","0.006","72.132","0.006","4885.3","0.6","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C89 H76 Cl4 N6 O3 S16 -","- C89 H76 Cl4 N6 O3 S16 -","- C178 H152 Cl8 N12 O6 S32 -","2","1","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","","1.54184","CuKα","","0.188","0.0726","","","0.1776","0.2447","","","","","","0.977","","","","has coordinates","258429","2020-10-21","18:00:00",""
"4135295","17.7127","0.0009","20.83","0.0011","23.3893","0.0012","77.227","0.004","73.33","0.005","66.176","0.005","7507.8","0.7","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H120 N8 O8 S16 -","- C136 H120 N8 O8 S16 -","- C272 H240 N16 O16 S32 -","2","1","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","x-ray","0.71073","MoKα","","0.1223","0.058","","","0.1407","0.1603","","","","","","0.907","","","","has coordinates,has disorder","258430","2020-10-21","18:00:00",""
"4135296","20.4388","0.0003","20.4388","0.0003","31.2788","0.0005","90","","90","","90","","13066.5","0.3","223.15","","223.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C116 H112 N8 O8 S16 -","- C116 H112 N8 O8 S16 -","- C464 H448 N32 O32 S64 -","4","0.25","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","","1.54184","CuKα","","0.0661","0.0453","","","0.1249","0.1366","","","","","","1.028","","","","has coordinates,has disorder","258431","2020-10-21","18:00:00",""
"4135297","13.2524","0.0013","16.566","0.0016","17.6421","0.0018","62.187","0.004","75.974","0.004","85.011","0.004","3322","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H174 Cl8 Cu2 N8 -","- C148 H174 Cl8 Cu2 N8 -","- C148 H174 Cl8 Cu2 N8 -","1","0.5","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.2775","0.0937","","","0.1628","0.222","","","","","","0.955","","","","has coordinates,has disorder","258463","2020-10-21","18:00:00",""
"4135298","8.401","0.004","8.962","0.004","15.78","0.008","103.367","0.009","93.159","0.014","116.101","0.01","1021.2","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 Cl2 -","- C27 H18 Cl2 -","- C54 H36 Cl4 -","2","1","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.0338","0.0296","","","0.0747","0.0775","","","","","","1.04","","","","has coordinates","258464","2020-10-21","18:00:00",""
"4135299","29.325","0.002","10.638","0.0008","23.8621","0.0018","90","","90.545","0.003","90","","7443.7","0.9","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H100 Cl4 Cu2 N4 -","- C79 H100 Cl4 Cu2 N4 -","- C316 H400 Cl16 Cu8 N16 -","4","1","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.1414","0.0854","","","0.1662","0.1843","","","","","","1.107","","","","has coordinates,has disorder","258465","2020-10-21","18:00:00",""
"4135300","8.0553","0.0005","10.2611","0.0006","10.6161","0.0007","90","","90","","90","","877.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(S,S,S)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0521","0.0384","","","0.0918","0.0988","","","","","","1.037","","","","has coordinates","258710","2020-11-04","01:23:31",""
"4135301","13.8465","0.0006","6.4641","0.0003","11.3247","0.0005","90","","107.264","0.002","90","","967.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(trimethylsilyl)methyl-(5H)-furan-2-one","","- C8 H14 O2 Si -","- C8 H14 O2 Si -","- C32 H56 O8 Si4 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","1.54178","Cu-Kα","","0.0368","0.0322","","","0.0827","0.0863","","","","","","1.046","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135302","12.5303","0.0015","5.8923","0.0005","20.003","0.003","90","","91.647","0.01","90","","1476.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-spirocyclohexane-3(H)-4(phenylcarboxy)-5(methoxy)-furan","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.0583","0.0383","","","0.0892","0.0965","","","","","","1.039","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135303","19.802","0.003","16.26","0.002","23.261","0.002","90","","107.91","0.008","90","","7126.6","1.6","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(hapto-3-(1-(methoxycyclohexyl)-hex-5-ene-2-ylidenyl))- (hapto-5-pentamethylcyclopentadienyl)-chloro-ruthenium(ii)","","- C25 H41 Cl O Ru -","- C25 H41 Cl O Ru -","- C300 H492 Cl12 O12 Ru12 -","12","6","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.1196","0.0809","","","0.1991","0.2286","","","","","","1.061","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135304","8.9181","0.0004","21.7716","0.0009","9.155","0.0004","90","","94.822","0.002","90","","1771.26","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(S,S,R)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C72 H112 O16 -","8","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0657","0.043","","","0.1111","0.1237","","","","","","1.034","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135305","10.5379","0.0006","15.712","0.001","20.9915","0.0014","89.81","0.003","89.849","0.003","84.937","0.003","3462","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-di(triemthylsilyl)-3,4-di(3,3-dimethyl- prop-2-en-1-yl-carboxylato)-cyclobutadienyl- pentamethylcyclopentadienyl-chloro-ruthenium(II)","","- C32 H51 Cl O4 Ru Si2 -","- C32 H51 Cl O4 Ru Si2 -","- C128 H204 Cl4 O16 Ru4 Si8 -","4","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0792","0.046","","","0.1014","0.1147","","","","","","1.013","","","","has coordinates,has disorder","258710","2020-11-04","01:23:35",""
"4135306","11.3802","0.0003","12.6447","0.0003","12.9434","0.0004","85.1416","0.0015","66.2419","0.0013","88.5246","0.0015","1698.51","0.08","105.13","","105.13","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 B Br3 N2 -","- C35 H26 B Br3 N2 -","- C70 H52 B2 Br6 N4 -","2","1","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","0.71073","MoKα","","0.0423","0.0307","","","0.0727","0.0763","","","","","","1.056","","","","has coordinates","258473","2020-10-21","18:00:00",""
"4135307","17.398","0.003","23.989","0.004","9.6741","0.0012","90","","112.936","0.01","90","","3718.4","1","100","2","99.93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B Br3 I2 N3 O -","- C38 H31 B Br3 I2 N3 O -","- C152 H124 B4 Br12 I8 N12 O4 -","4","0.5","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0719","0.0589","","","0.15","0.1597","","","","","","1.056","","","","has coordinates,has disorder","258474","2020-10-21","18:00:00",""
"4135308","17.388","0.002","24.134","0.003","9.624","0.0011","90","","115.472","0.005","90","","3646.1","0.8","100","2","99.93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B Br5 N3 O -","- C38 H31 B Br4.99 N3 O -","- C152 H124 B4 Br19.96 N12 O4 -","4","0.5","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0327","0.0315","","","0.0791","0.08","","","","","","1.053","","","","has coordinates,has disorder","258475","2020-10-21","18:00:00",""
"4135309","13.8415","0.0012","15.1909","0.0013","16.21","0.0014","90","","109.352","0.006","90","","3215.8","0.5","99.97","","99.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B Br I2 N2 O4 S -","- C27 H37 B Br I2 N2 O4 S -","- C108 H148 B4 Br4 I8 N8 O16 S4 -","4","1","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0595","0.0478","","","0.1202","0.1276","","","","","","1.027","","","","has coordinates","258476","2020-10-21","18:00:00",""
"4135310","10.54","0.04","13.48","0.05","14.6","0.1","76.4","0.2","82.4","0.2","76.5","0.2","1954","17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C102 B2 N2 -","- C102 B2 N2 -","- C102 B2 N2 -","1","0.5","","Lu, Hua; Nakamuro, Takayuki; Yamashita, Keitaro; Yanagisawa, Haruaki; Nureki, Osamu; Kikkawa, Masahide; Gao, Han; Tian, Jiangwei; Shang, Rui; Nakamura, Eiichi","B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10337","","","0.0251","200keVelectrons","","0.3542","0.2429","","","0.5948","0.6149","","","","","","2.32","","","","has coordinates","258562","2020-10-22","22:57:10",""
"4135311","10.6701","0.0006","15.1062","0.0009","8.7738","0.0006","90","","102.335","0.004","90","","1381.56","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 B N -","- C38 H28 B N -","- C76 H56 B2 N2 -","2","0.5","","Lu, Hua; Nakamuro, Takayuki; Yamashita, Keitaro; Yanagisawa, Haruaki; Nureki, Osamu; Kikkawa, Masahide; Gao, Han; Tian, Jiangwei; Shang, Rui; Nakamura, Eiichi","B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10337","","","1.54178","CuKα","","0.0654","0.0487","","","0.1271","0.1332","","","","","","1.02","","","","has coordinates","258563","2020-10-22","22:57:30",""
"4135312","10.7685","0.0006","5.8871","0.0003","16.4455","0.0009","90","","98.501","0.004","90","","1031.11","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C54 H48 O6 -","2","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.1062","0.0713","","","0.167","0.1896","","","","","","1.018","","","","has coordinates","258627","2020-10-29","23:45:43",""
"4135313","15.7106","0.001","7.0972","0.0004","11.3233","0.0007","90","","90","","90","","1262.56","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0308","0.0303","","","0.0787","0.0793","","","","","","1.092","","","","has coordinates,has disorder","258628","2020-10-29","23:46:07",""
"4135314","11.4685","0.0002","11.4685","0.0002","42.486","0.001","90","","90","","120","","4839.38","0.16","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C216 H168 Br12 N12 O36 -","12","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0776","0.0425","","","0.0645","0.0757","","","","","","0.913","","","","has coordinates","258629","2020-10-29","23:46:31",""
"4135315","40.7287","0.0011","5.4786","0.0001","14.2667","0.0004","90","","90","","90","","3183.42","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.122","0.0673","","","0.1234","0.1454","","","","","","1.048","","","","has coordinates,has disorder","258630","2020-10-29","23:46:56",""
"4135316","9.3925","0.0007","22.0153","0.0017","9.7818","0.0007","90","","91.787","0.002","90","","2021.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0303","0.0303","","","0.0793","0.0794","","","","","","1.027","","","","has coordinates","258631","2020-10-29","23:47:18",""
"4135317","6.1262","0.0004","7.1062","0.0005","31.219","0.002","90","","90","","90","","1359.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0345","0.0333","","","0.0825","0.0837","","","","","","1.057","","","","has coordinates","258632","2020-10-29","23:47:40",""
"4135318","5.8908","0.0003","7.3386","0.0004","33.7998","0.0017","90","","90","","90","","1461.17","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br N O2 -","- C17 H12 Br N O2 -","- C68 H48 Br4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0766","0.0375","","","0.0733","0.0866","","","","","","0.934","","","","has coordinates","258633","2020-10-29","23:48:04",""
"4135319","13.7935","0.0005","18.27","0.0006","18.3454","0.0007","91.909","0.003","91.064","0.003","101.56","0.003","4525.4","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H152 N4 O16 Si4 U -","- C71 H152 N4 O16 Si4 U -","- C142 H304 N8 O32 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0923","0.0561","","","0.1184","0.1363","","","","","","1.097","","","","has coordinates,has disorder","258634","2020-10-29","23:48:29",""
"4135320","14.2473","0.0003","24.0781","0.0005","27.7546","0.0007","90.6362","0.0019","93.3686","0.0018","91.8783","0.0017","9498.8","0.4","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H144 K N5 O22 Si4 U -","- C66 H144 K N5 O22 Si4 U -","- C264 H576 K4 N20 O88 Si16 U4 -","4","2","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0877","0.0578","","","0.1227","0.1347","","","","","","1.05","","","","has coordinates,has disorder","258635","2020-10-29","23:48:58",""
"4135321","13.8047","0.0002","18.2614","0.0004","18.3619","0.0004","91.9047","0.0017","91.0275","0.0016","101.261","0.0016","4535.87","0.16","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H152 N2 O17 Si4 U -","- C72 H152 N2 O17 Si4 U -","- C144 H304 N4 O34 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0575","0.0379","","","0.0793","0.089","","","","","","1.047","","","","has coordinates,has disorder","258636","2020-10-29","23:49:26",""
"4135322","14.10407","0.00017","16.7659","0.0002","19.9097","0.0002","88.6774","0.0009","81.8561","0.001","86.4823","0.001","4651.24","0.09","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H160 N2 O16 Si4 U -","- C78 H160 N2 O16 Si4 U -","- C156 H320 N4 O32 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","1.54184","CuKα","","0.0203","0.0188","","","0.044","0.0446","","","","","","1.034","","","","has coordinates,has disorder","258637","2020-10-29","23:49:54",""
"4135323","11.738","0.0003","4.4064","0.0001","27.5661","0.0008","90","","94.026","0.003","90","","1422.26","0.06","295.4","0.4","295.4","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0734","0.0613","","","0.1856","0.1907","","","","","","1.256","","","","has coordinates","258651","2020-10-30","23:47:19",""
"4135324","16.2461","0.0002","16.402","0.0002","19.8014","0.0002","90","","90","","90","","5276.45","0.11","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H77 Cl N8 O6 -","- C52 H77 Cl N8 O6 -","- C208 H308 Cl4 N32 O24 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0564","0.0485","","","0.1235","0.1305","","","","","","1.042","","","","has coordinates,has disorder","258652","2020-10-30","23:47:49",""
"4135325","5.49233","0.00005","12.68068","0.00013","30.6855","0.0003","90","","90","","90","","2137.14","0.04","290.8","0.8","290.8","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0449","0.0418","","","0.111","0.112","","","","","","1.067","","","","has coordinates","258653","2020-10-30","23:48:13",""
"4135326","8.4358","0.0003","11.8215","0.0005","11.8878","0.0005","89.4274","0.0014","84.7711","0.0013","88.91","0.0013","1180.31","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N Rh -","- C30 H30 N Rh -","- C60 H60 N2 Rh2 -","2","1","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.71073","MoKα","","0.0271","0.0229","","","0.0494","0.0538","","","","","","1.202","","","","has coordinates","258654","2020-10-30","23:48:37",""
"4135327","36.987","0.007","35.02","0.007","22.654","0.005","90","","92.27","0.03","90","","29320","10","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 Cl6 N2 O8 Rh2 -","- C74 H70 Cl6 N2 O8 Rh2 -","- C1184 H1120 Cl96 N32 O128 Rh32 -","16","4","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.8","synchrotron","","0.1443","0.0957","","","0.2769","0.3119","","","","","","1.016","","","","has coordinates,has disorder","258655","2020-10-30","23:49:18",""
"4135328","36.655","0.007","9.368","0.0019","32.952","0.007","90","","108.36","0.03","90","","10739","4","253","2","253","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C44 H43 F18 N Rh Sb3 -","- C44 H43 F18 N Rh Sb3 -","- C352 H344 F144 N8 Rh8 Sb24 -","8","2","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.85","synchrotron","","0.2163","0.1155","","","0.3295","0.3865","","","","","","1.071","","","","has coordinates,has disorder","258656","2020-10-30","23:49:50",""
"4135329","14.509","0.002","18.34","0.003","15.539","0.003","90","","96.485","0.002","90","","4108.4","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H63 Ir O3 P2 Si3 -","- C34 H63 Ir O3 P2 Si3 -","- C136 H252 Ir4 O12 P8 Si12 -","4","2","","Esteruelas, Miguel A.; Martínez, Antonio; Oliván, Montserrat; Oñate, Enrique","Kinetic Analysis and Sequencing of Si-H and C-H Bond Activation Reactions: Direct Silylation of Arenes Catalyzed by an Iridium-Polyhydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07578","","","0.71073","MoKα","","0.1413","0.0577","","","0.0985","0.1242","","","","","","0.997","","","","has coordinates,has disorder","258668","2020-11-01","00:01:09",""
"4135330","11.8183","0.0005","4.94497","0.00016","14.9662","0.0006","90","","110.509","0.005","90","","819.2","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Br N O2 -","- C16 H22 Br N O2 -","- C32 H44 Br2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp<sup>3</sup>)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0458","0.0424","","","0.1063","0.1095","","","","","","1.063","","","","has coordinates","258669","2020-11-01","00:04:13",""
"4135331","11.705","0.0006","5.1203","0.0002","15.0401","0.0007","90","","112.529","0.005","90","","832.61","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C38 H40 Cl2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp<sup>3</sup>)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0408","0.0403","","","0.1053","0.1059","","","","","","1.065","","","","has coordinates","258670","2020-11-01","00:07:24",""
"4135332","39.5169","0.0007","11.9534","0.0002","12.6942","0.0002","90","","90","","90","","5996.25","0.17","170","2","169.97","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C232 H264 N8 O32 S8 -","8","2","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.34139","GaKα","","0.063","0.0488","","","0.1203","0.129","","","","","","1.043","","","","has coordinates","259525","2020-12-04","02:23:31",""
"4135333","27.8647","0.0009","8.5749","0.0003","12.588","0.0004","90","","94.3636","0.0013","90","","2999.02","0.17","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H38 O11 -","- C29 H38 O11 -","- C116 H152 O44 -","4","1","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.54178","CuKα","","0.046","0.0442","","","0.1053","0.1065","","","","","","1.119","","","","has coordinates","259525","2020-12-04","02:23:41",""
"4135334","12.452","0.003","26.389","0.007","36.476","0.009","90","","90","","90","","11986","5","170.15","","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Cl9 N3 O12 -","- C54 H62 Cl9 N3 O12 -","- C432 H496 Cl72 N24 O96 -","8","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.083","0.0675","","","0.1803","0.1952","","","","","","1.027","","","","has coordinates,has disorder","259515","2020-12-04","02:18:54",""
"4135335","11.1358","0.0019","11.707","0.0019","27.45","0.005","80.177","0.005","82.927","0.006","70.428","0.005","3314","1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H82 Cl8 N4 O17 -","- C55 H82 Cl8 N4 O17 -","- C110 H164 Cl16 N8 O34 -","2","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.1333","0.0871","","","0.2195","0.2486","","","","","","1.028","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135336","20.2673","0.0006","12.7006","0.0004","20.9446","0.0006","90","","108.196","0.001","90","","5121.7","0.3","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H71 N3 O16 -","- C53 H71 N3 O16 -","- C212 H284 N12 O64 -","4","0.5","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0763","0.0651","","","0.1792","0.1914","","","","","","1.032","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135337","12.0165","0.0005","18.208","0.0008","25.1259","0.0011","90","","90","","90","","5497.5","0.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H76 N4 O15 -","- C56 H76 N4 O15 -","- C224 H304 N16 O60 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","1.54178","CuKα","","0.0591","0.0564","","","0.1599","0.1631","","","","","","1.062","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135338","11.8167","0.0009","19.4344","0.0018","20.4342","0.0017","90","","95.609","0.003","90","","4670.3","0.7","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 Cl N3 O12 -","- C51 H60 Cl N3 O12 -","- C204 H240 Cl4 N12 O48 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0805","0.064","","","0.1668","0.1826","","","","","","1.082","","","","has coordinates","259515","2020-12-04","02:18:55",""
"4135339","21.5851","0.0011","14.7231","0.0008","15.1871","0.0008","90","","94.212","0.002","90","","4813.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H112 O Si4 -","- C116 H128 O2 Si4 -","- C232 H256 O4 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","x-ray","0.7288","synchrotron","","0.105","0.0899","","","0.2502","0.2642","","","","","","1.097","","","","has coordinates,has disorder","259516","2020-12-04","02:19:53",""
"4135340","21.0146","0.0009","17.8252","0.0008","16.958","0.0007","90","","90.02","0.002","90","","6352.3","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H146 O4 Si4 -","- C156 H164 O4 Si4 -","- C312 H328 O8 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.084","0.0644","","","0.1551","0.1687","","","","","","1.038","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135341","11.8612","0.0005","14.1474","0.0007","14.9784","0.0008","100.353","0.002","102.176","0.002","107.043","0.002","2269.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C106 H70 Cl18 -","- C106 H70 Cl18 -","- C106 H70 Cl18 -","1","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.1224","0.0892","","","0.2729","0.2902","","","","","","1.144","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135342","26.7857","0.0015","12.5558","0.0007","25.1482","0.0014","90","","118.957","0.003","90","","7400.4","0.7","170","2","170.02","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H95 O14 -","- C76 H95 O14 -","- C304 H380 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1509","0.1408","","","0.3477","0.3525","","","","","","0.922","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135343","13.5823","0.0003","22.8453","0.0006","20.4508","0.0005","90","","100.373","0.001","90","","6242","0.3","170","2","170.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 O12 -","- C67 H86 O12 -","- C268 H344 O48 -","4","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0608","0.0512","","","0.1311","0.1398","","","","","","1.022","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135344","14.1746","0.0004","16.4665","0.0006","19.6666","0.0006","79.172","0.002","77.599","0.002","72.479","0.002","4237.6","0.2","170","2","169.97","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 Br12 O13 -","- C71 H78 Br12 O13 -","- C142 H156 Br24 O26 -","2","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1333","0.1095","","","0.2601","0.2756","","","","","","0.925","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135345","28.6532","0.0017","12.3731","0.0008","44.242","0.003","90","","108.836","0.002","90","","14845.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H76 Br10 O12 -","- C67 H76 Br10 O12 -","- C536 H608 Br80 O96 -","8","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.54178","CuKα","","0.2183","0.1619","","","0.3888","0.4225","","","","","","1.563","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135346","12.8203","0.0003","12.9026","0.0003","12.9306","0.0003","61.278","0.001","73.375","0.001","78.559","0.001","1792.62","0.07","170","2","169.99","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H100 O14 -","- C78 H100 O14 -","- C78 H100 O14 -","1","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0578","0.0543","","","0.147","0.1518","","","","","","1.037","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135347","13.8496","0.0002","23.998","0.0003","25.2072","0.0003","90","","90","","90","","8377.93","0.19","170","2","169.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C78 H88 Br12 O14 -","- C78 H88 Br12 O14 -","- C312 H352 Br48 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0421","0.0391","","","0.1017","0.1041","","","","","","1.037","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135348","24.4691","0.0009","20.7774","0.0008","12.8545","0.0005","90","","90","","90","","6535.3","0.4","170","2","169.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H66 Br10 O11 -","- C60 H66 Br10 O11 -","- C240 H264 Br40 O44 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1304","0.0982","","","0.2904","0.3197","","","","","","1.173","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135349","13.167","0.003","14.706","0.004","30.336","0.007","87.834","0.008","86.789","0.008","85.765","0.009","5845","2","170","2","170.15","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H76 O11 -","- C60 H76 O11 -","- C240 H304 O44 -","4","2","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.204","0.1337","","","0.3072","0.3712","","","","","","0.788","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135350","8.8938","0.0003","5.9958","0.0002","9.519","0.0003","90","","94.883","0.001","90","","505.76","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N -","- C11 H14 Br N -","- C22 H28 Br2 N2 -","2","1","","Yan, Xingchen; Ge, Luo; Castiñeira Reis, Marta; Harutyunyan, Syuzanna R.","Nucleophilic Dearomatization of N-Heteroaromatics Enabled by Lewis Acids and Copper Catalysis.","Journal of the American Chemical Society","2020","142","47","20247","20256","10.1021/jacs.0c09974","","","1.54178","CuKα","","0.0176","0.0174","","","0.042","0.0421","","","","","","1.076","","","","has coordinates","259518","2020-12-04","02:20:24",""
"4135351","11.3762","0.0003","12.0964","0.0003","18.5162","0.0005","98.867","0.001","102.089","0.001","113.854","0.001","2195.93","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 O3 Si3 Ti3 -","- C39 H68 O3 Si3 Ti3 -","- C78 H136 O6 Si6 Ti6 -","2","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0589","0.0472","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135352","10.0717","0.0017","11.556","0.002","12.004","0.002","61.262","0.006","73.979","0.006","81.524","0.006","1177.3","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","1","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0465","0.0385","","","0.0925","0.0966","","","","","","1.006","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135353","8.7584","0.0015","14.858","0.002","20.54","0.004","70.651","0.005","86.515","0.006","78.122","0.006","2467.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C92 H146 N2 O10 Si6 Ti6 -","4","2","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.14","0.0608","","","0.1069","0.1305","","","","","","1.003","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135354","20.8973","0.0011","11.6751","0.0006","19.2927","0.0011","90","","90","","90","","4707","0.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C164 H280 O20 Si12 Ti12 -","4","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0613","0.0587","","","0.1585","0.1611","","","","","","1.036","","","","has coordinates,has disorder","259519","2020-12-04","02:20:46",""
"4135355","7.19727","0.00016","10.5288","0.0002","24.3626","0.0006","90","","90","","90","","1846.16","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 Fe N2 -","- C14 H28 Cl2 Fe N2 -","- C56 H112 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0442","0.0365","","","0.0782","0.0821","","","","","","1.062","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135356","10.40448","0.00016","10.40448","0.00016","9.2611","0.0002","90","","90","","90","","1002.54","0.03","140","0.1","140","0.1","","","","","","","","5","P 42","P 4c","77","","","","- C20 H24 Cl2 Fe N2 -","- C20 H24 Cl2 Fe N2 -","- C40 H48 Cl4 Fe2 N4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0291","0.0259","","","0.0616","0.0633","","","","","","1.04","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135357","7.33605","0.00014","11.0844","0.0002","26.8365","0.0005","90","","90","","90","","2182.23","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Fe N2 -","- C18 H36 Cl2 Fe N2 -","- C72 H144 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","1.54184","CuKα","","0.0236","0.0231","","","0.0607","0.0612","","","","","","1.036","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135358","14.5785","0.0005","11.9443","0.0004","10.9829","0.0005","90","","90","","90","","1912.45","0.13","140","0.1","140","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H52 Cl2 Rh2 -","- C46 H52 Cl2 Rh2 -","- C92 H104 Cl4 Rh4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0343","0.027","","","0.0504","0.0536","","","","","","1.054","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135359","10.7128","0.0015","12.9374","0.0017","32.667","0.004","90","","96.259","0.003","90","","4500.5","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0431","0.0362","","","0.0871","0.0902","","","","","","1.078","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135360","12.8813","0.0018","12.9498","0.0018","18.331","0.003","90","","102.871","0.002","90","","2981","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N6 O8 Rh2 -","- C58 H60 Cl6 N6 O8 Rh2 -","- C116 H120 Cl12 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0603","0.0449","","","0.1081","0.1173","","","","","","1.054","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135361","15.6237","0.0009","17.2551","0.0008","19.6274","0.0013","111.577","0.002","94.521","0.002","96.215","0.002","4851.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","1","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","x-ray","0.71073","MoKα","","0.0465","0.0386","","","0.0819","0.0854","","","","","","1.101","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135362","10.9316","0.0008","12.9312","0.0009","32.433","0.002","90","","99.31","0.001","90","","4524.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0508","0.042","","","0.1101","0.1156","","","","","","1.045","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135363","12.961","0.002","12.909","0.002","18.381","0.003","90","","100.334","0.002","90","","3025.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N4.28 O8 Rh2 -","- C58 H60 Cl6 N4.276 O8 Rh2 -","- C116 H120 Cl12 N8.552 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0615","0.0447","","","0.1149","0.1242","","","","","","1.082","","","","has coordinates,has disorder","259520","2020-12-04","02:21:12",""
"4135364","7.9196","0.0003","8.505","0.0004","27.304","0.0012","90","","90","","90","","1839.09","0.14","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C80 H104 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0613","0.0479","","","0.1076","0.117","","","","","","1.039","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135365","16.0085","0.0003","7.8446","0.0002","16.2448","0.0004","90","","93.22","0.001","90","","2036.81","0.08","170","2","169.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H28 N O2 P -","- C21 H28 N O2 P -","- C84 H112 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0391","0.0366","","","0.0946","0.097","","","","","","1.056","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135366","10.6291","0.0003","31.7456","0.0008","11.4376","0.0003","90","","92.961","0.001","90","","3854.2","0.18","193","","193.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Cl N2 O4 P2 Pd -","- C40 H41 Cl N2 O4 P2 Pd -","- C160 H164 Cl4 N8 O16 P8 Pd4 -","4","2","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","0.71073","MoKα","","0.0357","0.032","","","0.0962","0.1021","","","","","","0.808","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135367","19.3198","0.0009","19.3198","0.0009","20.7955","0.0013","90","","90","","120","","6722.1","0.6","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C32 H22 Mn2 Ni O10 S4 -","- C32 H20 Mn2 Ni O10 S4 -","- C192 H120 Mn12 Ni6 O60 S24 -","6","1","","Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin","A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor.","Journal of the American Chemical Society","2020","142","48","20313","20317","10.1021/jacs.0c09009","","","1.34139","GaKα","","0.098","0.0673","","","0.1688","0.1874","","","","","","1.018","","","","has coordinates","259522","2020-12-04","02:21:42",""
"4135368","13.408","0.002","18.225","0.002","7.9041","0.0011","90","","94.302","0.006","90","","1926","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","0.5","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0697","0.0572","","","0.1507","0.1631","","","","","","1.063","","","","has coordinates","259524","2020-12-04","02:22:29",""
"4135369","16.902","0.003","9.9528","0.0018","17.758","0.002","90","","99.9","0.006","90","","2942.8","0.8","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O2 -","- C35 H36 N2 O2 -","- C140 H144 N8 O8 -","4","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.1255","0.0917","","","0.2346","0.2641","","","","","","1.078","","","","has coordinates,has disorder","259524","2020-12-04","02:22:37",""
"4135370","13.139","0.0017","34.437","0.005","13.4698","0.0019","90","","92.046","0.005","90","","6090.8","1.5","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C288 H320 N16 O16 -","8","2","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.092","0.0601","","","0.1397","0.1577","","","","","","0.992","","","","has coordinates","259524","2020-12-04","02:22:43",""
"4135371","9.5316","0.001","9.9882","0.0011","12.1305","0.0013","74.757","0.004","77.144","0.004","74.314","0.004","1058.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0619","0.0466","","","0.1179","0.1269","","","","","","1.045","","","","has coordinates,has disorder","259524","2020-12-04","02:22:44",""
"4135372","10.1005","0.0005","11.4816","0.0006","15.6108","0.0008","84.1313","0.0017","74.5085","0.0015","70.8989","0.0015","1648.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0581","0.0479","","","0.1065","0.1132","","","","","","1.076","","","","has coordinates,has disorder","259523","2020-12-04","02:21:58",""
"4135373","12.1484","0.0005","12.2854","0.0005","24.5486","0.0009","90","","98.0774","0.0014","90","","3627.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0922","0.0695","","","0.137","0.1463","","","","","","1.138","","","","has coordinates,has disorder","259523","2020-12-04","02:22:07",""
"4135374","13.3692","0.0009","22.2187","0.0016","22.4798","0.0018","113.514","0.003","102.465","0.003","97.137","0.004","5811.4","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H96 F24 N24 Ni2 P4 -","- C111 H96 F24 N24 Ni2 P4 -","- C222 H192 F48 N48 Ni4 P8 -","2","1","","Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.","Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07750","","","0.71073","MoKα","","0.4031","0.1942","","","0.2928","0.39","","","","","","1.043","","","","has coordinates","259210","2020-11-20","23:56:30",""
"4135375","14.6717","0.0004","18.6418","0.0005","22.0009","0.0004","66.665","0.002","83.538","0.002","80.35","0.001","5439.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.5 H94.5 F24 Fe2 N25 P4 -","- C108.5 H94.5 F24 Fe2 N25 P4 -","- C217 H189 F48 Fe4 N50 P8 -","2","1","","Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.","Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07750","","","0.71073","MoKα","","0.1686","0.1041","","","0.1806","0.2129","","","","","","1.064","","","","has coordinates,has disorder","259211","2020-11-20","23:56:58",""
"4135376","3.3823","0.0001","5.453","0.0003","9.2505","0.0004","90","","96.88","0.004","90","","169.385","0.013","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C H F0 Na O4 Zn -","- C H Na O4 Zn -","- C2 H2 Na2 O8 Zn2 -","2","1","","Peng, Guang; Lin, Chensheng; Ye, Ning","NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09866","","","1.3405","GaKα","","0.0198","0.0198","","","0.0501","0.0501","","","","","","1.12","","","","has coordinates","259252","2020-11-25","23:43:32",""
"4135377","27.8962","0.0005","13.02525","0.00018","22.6848","0.0004","90","","100.909","0.0018","90","","8093.7","0.2","100","0.3","100","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H114 K2 N4 O12 -","- C90 H114 K2 N4 O12 -","- C360 H456 K8 N16 O48 -","4","0.5","","Gadjieva, Natalia A.; Szirmai, Péter; Sági, Olivér; Alemany, Pere; Bartholomew, Amymarie K.; Stone, Ilana; Conejeros, Sergio; Paley, Daniel W.; Hernández Sánchez, Raúl; Fowler, Brandon; Peurifoy, Samuel R.; Náfrádi, Bálint; Forró, László; Roy, Xavier; Batail, Patrick; Canadell, Enric; Steigerwald, Michael L.; Nuckolls, Colin","Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05606","","x-ray","1.54184","CuKα","","0.048","0.0376","","","0.0904","0.0967","","","","","","1.009","","","","has coordinates,has disorder","259253","2020-11-25","23:44:06",""
"4135378","11.84648","0.00007","6.18222","0.00005","21.5257","0.00012","90","","90.2727","0.0005","90","","1576.47","0.018","294.15","","294.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F N -","- C18 H21 B F N -","- C72 H84 B4 F4 N4 -","4","1","","Yang, Ji-Min; Guo, Feng-Kai; Zhao, Yu-Tao; Zhang, Qiao; Huang, Ming-Yao; Li, Mao-Lin; Zhu, Shou-Fei; Zhou, Qi-Lin","Insertion of Alkylidene Carbenes into B-H Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09596","","x-ray","1.54184","CuKα","","0.0434","0.0413","","","0.1148","0.1167","","","","","","1.063","","","","has coordinates","259263","2020-11-26","23:49:58",""
"4135379","25.7295","0.0003","11.2014","0.0001","25.9806","0.0003","90","","109.322","0.001","90","","7066.02","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H102 N2 O6 P4 Ru2 -","- C75 H102 N2 O6 P4 Ru2 -","- C300 H408 N8 O24 P16 Ru8 -","4","1","","Tang, Shan; Rauch, Michael; Montag, Michael; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Catalytic Oxidative Deamination by Water with H<sub>2</sub> Liberation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10826","","x-ray","1.54184","CuKα","","0.0389","0.0321","","","0.0795","0.0827","","","","","","1.034","","","","has coordinates,has disorder","259264","2020-11-26","23:50:28",""
"4135380","21.279","0.002","12.954","0.0012","12.0149","0.0011","90","","90","","90","","3311.9","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H43 Au N2 O3 -","- C38 H43 Au N2 O3 -","- C152 H172 Au4 N8 O12 -","4","1","","Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.","Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09753","","","0.71073","MoKα","","0.0491","0.0326","","","0.0643","0.0687","","","","","","1.004","","","","has coordinates","259265","2020-11-26","23:50:55",""
"4135381","11.7196","0.0012","19.7733","0.0008","19.8993","0.0012","90","","93.504","0.007","90","","4602.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H56 Au Cl N4 O3 -","- C49 H56 Au Cl N4 O3 -","- C196 H224 Au4 Cl4 N16 O12 -","4","1","","Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.","Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09753","","","1.54184","CuKα","","0.0405","0.0364","","","0.0928","0.0973","","","","","","1.041","","","","has coordinates","259266","2020-11-26","23:51:23",""
"4135382","15.0983","0.0004","19.1026","0.0005","10.0922","0.0002","90","","90","","90","","2910.76","0.12","120","","120.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al N3 O2 P2 Rh -","- C27 H39 Al N3 O2 P2 Rh -","- C108 H156 Al4 N12 O8 P8 Rh4 -","4","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0452","0.0476","","","","","","1.077","","","","has coordinates","260429","2021-01-04","03:14:30",""
"4135383","12.21","0.003","14.684","0.003","14.725","0.003","90","","111.369","0.006","90","","2458.6","0.9","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B N2 O2 P2 Rh -","- C22 H34 B N2 O2 P2 Rh -","- C88 H136 B4 N8 O8 P8 Rh4 -","4","1","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0526","0.0472","","","0.1068","0.1086","","","","","","1.318","","","","has coordinates,has disorder","260429","2021-01-04","03:14:40",""
"4135384","15.278","0.0005","9.6009","0.0003","19.5396","0.0006","90","","93.389","0.002","90","","2861.11","0.16","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C102 H152 Al4 N8 O8 P8 Rh4 -","2","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0272","0.0213","","","0.0483","0.0509","","","","","","1.069","","","","has coordinates,has disorder","260429","2021-01-04","03:14:43",""
"4135385","9.22979","0.00012","12.58246","0.00017","12.86856","0.00016","90","","91.0663","0.0011","90","","1494.21","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0432","0.0415","","","0.1115","0.1139","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135386","8.70779","0.00014","9.8648","0.0002","18.3289","0.0003","90","","90","","90","","1574.46","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0363","0.0351","","","0.0951","0.0966","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135387","13.6755","0.0007","5.2979","0.0003","31.08","0.0014","90","","92.838","0.005","90","","2249","0.2","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N -","- C33 H23 N -","- C132 H92 N4 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.1346","0.0719","","","0.1394","0.1787","","","","","","1.001","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135388","12.5632","0.0008","10.1388","0.0005","10.1456","0.0005","90","","96.467","0.005","90","","1284.08","0.12","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0467","0.0428","","","0.1162","0.1203","","","","","","1.058","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135389","12.0621","0.0002","11.3639","0.0002","15.1141","0.0002","90","","90.006","0.002","90","","2071.73","0.06","103","5","103","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Si3 -","- C20 H28 Si3 -","- C80 H112 Si12 -","4","1","","Lu, Lingxiang; Siu, Juno C.; Lai, Yihuan; Lin, Song","An Electroreductive Approach to Radical Silylation via the Activation of Strong Si-Cl Bond.","Journal of the American Chemical Society","2020","142","51","21272","21278","10.1021/jacs.0c10899","","x-ray","1.54184","CuKα","","0.052","0.0483","","","0.13","0.1328","","","","","","1.098","","","","has coordinates","260426","2021-01-04","03:12:40",""
"4135390","15.4791","0.0013","15.4791","0.0013","26.403","0.002","90","","90","","90","","6326.2","0.9","100","2","99.99","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33.75 H36 Cl N2 Ni P2 -","- C33.75 H36 Cl N2 Ni P2 -","- C270 H288 Cl8 N16 Ni8 P16 -","8","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.0611","0.0523","","","0.1476","0.1547","","","","","","1.131","","","","has coordinates,has disorder","260425","2021-01-04","03:12:23",""
"4135391","21.249","0.003","18.319","0.002","14.6841","0.0018","90","","101.772","0.001","90","","5595.7","1.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl2 N6 P4 Pt2 -","- C62 H68 Cl2 N6 P4 Pt2 -","- C248 H272 Cl8 N24 P16 Pt8 -","4","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0475","0.0463","","","0.1258","0.1262","","","","","","0.969","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135392","18.9534","0.0009","8.4688","0.0004","21.9113","0.0011","90","","107.14","0.0018","90","","3360.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 N3 O P2 -","- C40 H37 N3 O P2 -","- C160 H148 N12 O4 P8 -","4","2","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.1159","0.0942","","","0.2307","0.2543","","","","","","1.071","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135393","15.426","0.003","15.426","0.003","26.835","0.006","90","","90","","90","","6386","2","15","2","15","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C262 H282 Cl8 F6 N24 P16 Pd8 -","2","0.25","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0425","0.0371","","","0.097","0.1018","","","","","","1.087","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135394","10.5457","0.0002","10.5457","0.0002","10.5457","0.0002","90","","90","","90","","1172.81","0.04","298","","298","","","","101","","","","synthetic","3","P m -3","-P 2 2 3","200","Fe-THQ","Fe-THQ","","- C18 Fe4 O24 -","- C18 Fe4 O24 -","- C36 Fe8 O48 -","2","0.0833333","","Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan","Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.","Journal of the American Chemical Society","2020","142","51","21243","21248","10.1021/jacs.0c09379","powder diffraction","x-ray","0.44811","Synchrotronmono-beam","","","","","","","","0.0695","","4.485","","","","","","","has coordinates","260421","2021-01-04","03:10:05",""
"4135395","11.5159","0.0014","26.624","0.003","28.024","0.003","75.516","0.002","86.674","0.002","89.643","0.002","8304.7","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C162 H257 B3 Si9 -","- C162 H257 B3 Si9 -","- C324 H514 B6 Si18 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1314","0.0946","","","0.2433","0.27","","","","","","1.11","","","","has coordinates,has disorder","260422","2021-01-04","03:10:38",""
"4135396","46.461","0.002","19.6539","0.0009","20.108","0.0009","90","","91.637","0.002","90","","18353.9","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C592 H768 Al8 B8 Cl32 F288 O40 Si24 -","4","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1111","0.0906","","","0.2419","0.2611","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:48",""
"4135397","10.6412","0.0019","13.78","0.003","21.703","0.004","73.982","0.003","80.257","0.003","88.739","0.003","3013.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H101 B Li2 O2 Si2 -","- C60 H101 B Li2 O2 Si2 -","- C120 H202 B2 Li4 O4 Si4 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.0572","0.0438","","","0.1106","0.1191","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:50",""
"4135398","17.3585","0.0003","7.8792","0.0001","21.9818","0.0005","90","","112.747","0.002","90","","2772.63","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 As F6 N7 Pt -","- C29 H18 As F6 N7 Pt -","- C116 H72 As4 F24 N28 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0232","0.0168","","","0.0364","0.0377","","","","","","0.945","","","","has coordinates","260423","2021-01-04","03:11:22",""
"4135399","26.3591","0.0005","15.2165","0.0003","19.67","0.0007","90","","118.351","0.001","90","","6943.2","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 As2 Cl2 N14 Pt2 -","- C71 H72 As2 Cl2 N14 Pt2 -","- C284 H288 As8 Cl8 N56 Pt8 -","4","0.5","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0412","0.0285","","","0.0654","0.0689","","","","","","1.024","","","","has coordinates,has disorder","260423","2021-01-04","03:11:30",""
"4135400","17.3133","0.0003","7.8025","0.0001","21.8762","0.0004","90","","112.753","0.001","90","","2725.22","0.08","456","2","456","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 P Pt -","- C29 H18 F6 N7 P Pt -","- C116 H72 F24 N28 P4 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0353","0.0246","","","0.0523","0.0541","","","","","","0.943","","","","has coordinates","260423","2021-01-04","03:11:33",""
"4135401","27.3367","0.0014","15.1157","0.0008","19.6084","0.001","90","","116.709","0.001","90","","7237.9","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H36 Cl N7 Pt Sb -","- C35.501 H36 Cl1.002 N7 Pt Sb -","- C284.008 H288 Cl8.016 N56 Pt8 Sb8 -","8","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0415","0.0358","","","0.0827","0.0883","","","","","","1.173","","","","has coordinates,has disorder","260423","2021-01-04","03:11:36",""
"4135402","17.3569","0.0005","8.0541","0.0002","21.9642","0.0006","90","","113.066","0.002","90","","2825","0.14","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 Pt Sb -","- C29 H18 F6 N7 Pt Sb -","- C116 H72 F24 N28 Pt4 Sb4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0309","0.0207","","","0.0422","0.0439","","","","","","0.983","","","","has coordinates","260423","2021-01-04","03:11:45",""
"4135403","11.6432","0.0011","12.2106","0.001","15.1043","0.0016","94.218","0.007","105.721","0.007","114.863","0.005","1831.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 Cl6 N2 O6 -","- C38 H34 Cl6 N2 O6 -","- C76 H68 Cl12 N4 O12 -","2","1","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","260424","2021-01-04","03:11:58",""
"4135404","24.9274","0.0017","10.0744","0.0006","13.9318","0.0008","90","","117.911","0.004","90","","3091.7","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N2 O6 -","- C40 H34 N2 O6 -","- C160 H136 N8 O24 -","4","0.5","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","1.54178","CuKα","","0.0869","0.0643","","","0.1678","0.1863","","","","","","1.04","","","","has coordinates,has disorder","260424","2021-01-04","03:11:58",""
"4135405","6.2249","0.0002","8.8294","0.0002","9.3691","0.0002","90","","90","","90","","514.95","0.02","403","2","403","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0179","0.0168","","","0.0341","0.0346","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135406","6.1587","0.0001","8.8322","0.0002","9.3515","0.0002","90","","90","","90","","508.674","0.018","363","2","363","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0212","0.02","","","0.0389","0.0393","","","","","","1.003","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135407","8.788","0.0003","5.9866","0.0002","9.2245","0.0003","90","","90.03","0.003","90","","485.3","0.03","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0266","0.0256","","","0.0611","0.0618","","","","","","1","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135408","8.8349","0.0002","6.0723","0.0001","9.3144","0.0002","90","","90.03","","90","","499.7","0.018","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0371","0.0367","","","0.094","0.0944","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135409","8.8138","0.0002","6.0127","0.0001","9.259","0.0002","90","","90.03","0.003","90","","490.678","0.017","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0312","0.031","","","0.0749","0.0751","","","","","","1.001","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135410","6.5123","0.0006","7.987","0.0007","19.602","0.014","90","","91.48","0.017","90","","1019.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 F N O5 Re -","- C7 H11 F N O5 Re -","- C28 H44 F4 N4 O20 Re4 -","4","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0428","0.0397","","","0.1116","0.114","","","","","","1.05","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135411","9.134","0.0007","14.443","0.001","15.714","0.001","90","","91.365","0.003","90","","2072.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0659","0.0557","","","0.1519","0.1623","","","","","","1.034","","","","has coordinates","260428","2021-01-04","03:13:41",""
"4135412","7.9874","0.0008","16.3053","0.0015","11.7305","0.0011","90","","93.629","0.003","90","","1524.7","0.3","135","2","135","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C60 H76 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0385","0.0359","","","0.0949","0.0974","","","","","","1.052","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135413","9.4287","0.0003","14.026","0.0005","25.9572","0.0009","90","","98.656","0.001","90","","3393.7","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.99 H17.25 Cl0.35 F3 N2 O2 S -","- C13.9835 H17.249 Cl0.3505 F3 N2 O2 S -","- C111.868 H137.992 Cl2.804 F24 N16 O16 S8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0638","0.0553","","","0.1533","0.1622","","","","","","1.045","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135414","11.9671","0.0006","10.6451","0.0006","13.0472","0.0007","90","","95.151","0.002","90","","1655.38","0.15","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 F3 N2 -","- C18 H25 F3 N2 -","- C72 H100 F12 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.039","0.0342","","","0.0817","0.0852","","","","","","1.049","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135415","28.9093","0.0007","6.1109","0.0001","19.8414","0.0004","90","","104.537","0.001","90","","3393","0.12","120","2","120.06","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.9 H22.9 Cl2.72 F17 N3 O2 S -","- C27.905 H22.905 Cl2.715 F17 N3 O2 S -","- C111.62 H91.62 Cl10.86 F68 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0672","0.049","","","0.1152","0.1277","","","","","","1.034","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135416","15.5602","0.0005","9.1547","0.0003","18.4847","0.0007","90","","110.478","0.002","90","","2466.73","0.15","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 F3 N3 O4 -","- C24 H28 F3 N3 O4 -","- C96 H112 F12 N12 O16 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0763","0.0525","","","0.1305","0.1466","","","","","","1.029","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135417","24.7462","0.001","8.7463","0.0004","11.885","0.0005","90","","98.217","0.002","90","","2545.95","0.19","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F17 N2 -","- C24 H17 F17 N2 -","- C96 H68 F68 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0438","0.0366","","","0.09","0.0959","","","","","","1.044","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135418","9.3765","0.0004","23.4519","0.0009","10.6409","0.0004","90","","90.0379","0.0018","90","","2339.9","0.16","100","2","100.07","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F3 N2 O -","- C12 H13 F3 N2 O -","- C96 H104 F24 N16 O8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0565","0.048","","","0.1177","0.1272","","","","","","1.069","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135419","10.4509","0.0004","12.2972","0.0004","13.7176","0.0005","64.875","0.002","77.838","0.002","65.854","0.002","1455.03","0.1","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 F12 N3 O2 P2 S2 -","- C25 H25 F12 N3 O2 P2 S2 -","- C50 H50 F24 N6 O4 P4 S4 -","2","1","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0617","0.0429","","","0.0975","0.1064","","","","","","1.031","","","","has coordinates","260066","2020-12-21","23:40:36",""
"4135420","10.9093","0.0008","11.8788","0.0009","14.016","0.0011","112.99","0.002","93.419","0.002","105.009","0.002","1588.4","0.2","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 F24 N10 O4 P4 -","- C52 H58 F24 N10 O4 P4 -","- C52 H58 F24 N10 O4 P4 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0414","0.0354","","","0.0937","0.0977","","","","","","1.042","","","","has coordinates","260067","2020-12-21","23:40:55",""
"4135421","12.178","0.0007","12.6271","0.0007","12.8582","0.0007","112.345","0.003","98.076","0.003","113.601","0.003","1572.7","0.17","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 F18 N10 O4 P3 -","- C60 H66 F18 N10 O4 P3 -","- C60 H66 F18 N10 O4 P3 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0907","0.0721","","","0.1829","0.1942","","","","","","1.058","","","","has coordinates,has disorder","260068","2020-12-21","23:41:13",""
"4135422","12.155","0.002","23.664","0.005","20.711","0.004","90","","90.006","0.003","90","","5957","2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 F12 N4 O4 P2 -","- C40 H40 F12 N4 O4 P2 -","- C160 H160 F48 N16 O16 P8 -","4","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.1895","0.1412","","","0.3842","0.4331","","","","","","1.524","","","","has coordinates,has disorder","260069","2020-12-21","23:41:37",""
"4135423","10.3979","0.0007","20.626","0.0014","13.6454","0.0009","90","","101.224","0.002","90","","2870.5","0.3","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 F24 N8 O4 P4 -","- C48 H52 F24 N8 O4 P4 -","- C96 H104 F48 N16 O8 P8 -","2","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","1.54178","CuKα","","0.033","0.0319","","","0.0842","0.0849","","","","","","1.044","","","","has coordinates","260070","2020-12-21","23:42:00",""
"4135424","10.3883","0.0005","10.9508","0.0005","13.4312","0.0007","84.113","0.002","86.835","0.002","74.908","0.002","1466.81","0.12","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 F24 N6 O6 P4 -","- C52 H56 F24 N6 O6 P4 -","- C52 H56 F24 N6 O6 P4 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0632","0.0474","","","0.112","0.1202","","","","","","1.02","","","","has coordinates","260071","2020-12-21","23:42:18",""
"4135425","9.6576","0.0009","16.5515","0.0015","10.2287","0.001","90","","109.901","0.003","90","","1537.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H24 F3 N O3 S -","- C38 H24 F3 N O3 S -","- C76 H48 F6 N2 O6 S2 -","2","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","0.71073","MoKα","","0.0875","0.0621","","","0.1519","0.1736","","","","","","1.054","","","","has coordinates,has disorder","260152","2020-12-25","23:33:42",""
"4135426","7.6626","0.0003","15.2264","0.0005","21.4966","0.0007","90","","90","","90","","2508.09","0.15","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 N O -","- C36 H23 N O -","- C144 H92 N4 O4 -","4","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","1.34139","GaKα","","0.0432","0.0394","","","0.0947","0.0981","","","","","","1.13","","","","has coordinates","260153","2020-12-25","23:34:08",""
"4135427","7.304","0.007","14.694","0.016","25.32","0.03","90","","90","","90","","2717","5","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.2512","0.1094","","","0.2146","0.318","","","","","","0.747","","","","has coordinates","260206","2020-12-30","00:01:51",""
"4135428","7.2586","0.0002","14.8057","0.0004","25.2215","0.0007","90","","90","","90","","2710.52","0.13","170","2","169.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.0578","0.0517","","","0.1418","0.1472","","","","","","1.091","","","","has coordinates","260207","2020-12-30","00:02:09",""
"4135429","10.9265","0.0005","12.9671","0.0006","21.9636","0.001","83.843","0.001","88.723","0.001","69.597","0.001","2899.5","0.2","293","","293.31","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","2","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","0.71073","MoKα","","0.1222","0.0617","","","0.1612","0.2059","","","","","","1.068","","","","has coordinates","260208","2020-12-30","00:02:45",""
"4135430","13.8359","0.0005","14.2602","0.0004","24.8906","0.001","90.302","0.003","103.428","0.004","97.512","0.003","4732.5","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73 H109 F9 N3 O6 P5.5 Pt2 -","- C73 H109 F9 N3 O6 P5.5 Pt2 -","- C146 H218 F18 N6 O12 P11 Pt4 -","2","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1431","0.1086","","","0.253","0.274","","","","","","1.058","","","","has coordinates","260209","2020-12-30","00:03:13",""
"4135431","9.4316","0.0002","21.0748","0.0003","21.3237","0.0003","84.687","0.001","81.217","0.001","88.568","0.001","4170.54","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C134 H192 F24 N6 O8 P12 Pt4 -","- C134 H192 F24 N6 O8 P12 Pt4 -","- C134 H192 F24 N6 O8 P12 Pt4 -","1","0.5","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.11","0.0954","","","0.2544","0.2719","","","","","","1.056","","","","has coordinates,has disorder","260210","2020-12-30","00:03:34",""
"4135432","19.4785","0.0015","19.5995","0.0007","20.0531","0.0019","92.012","0.005","115.044","0.008","91.519","0.005","6924.4","1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C124 H120 B3 F12 N12 O16 Pd2 -","- C124 H120 B3 F12 N12 O16 Pd2 -","- C248 H240 B6 F24 N24 O32 Pd4 -","2","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.2495","0.1898","","","0.4383","0.4764","","","","","","1.024","","","","has coordinates","260211","2020-12-30","00:04:01",""
"4135433","30.224","0.0002","19.7501","0.0001","27.1586","0.0002","90","","92.612","0.001","90","","16194.9","0.18","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C128 H199 F24 N6 O10 P12 Pt4 -","- C128 H199 F24 N6 O10 P12 Pt4 -","- C512 H796 F96 N24 O40 P48 Pt16 -","4","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.0804","0.0736","","","0.1754","0.1804","","","","","","1.041","","","","has coordinates,has disorder","260212","2020-12-30","00:04:37",""
"4135434","12.0853","0.0005","18.1737","0.0009","19.882","0.0006","107.001","0.003","90.638","0.003","94.11","0.004","4162.8","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","1","0.5","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1296","0.0998","","","0.2524","0.2742","","","","","","0.972","","","","has coordinates","260213","2020-12-30","00:04:58",""
"4135435","13.5498","0.0002","45.425","0.0005","13.8449","0.0002","90","","108.155","0.001","90","","8097.3","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H111 F12 N3 O7 P6 Pt2 -","- C70 H111 F12 N3 O7 P6 Pt2 -","- C280 H444 F48 N12 O28 P24 Pt8 -","4","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1154","0.1125","","","0.2632","0.2647","","","","","","1.191","","","","has coordinates","260214","2020-12-30","00:05:23",""
"4135436","24.2191","0.0004","23.9973","0.0005","27.2389","0.0005","90","","90","","90","","15831.1","0.5","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ge2 N4 Te2 -","- C90 H100 Ge2 N4 Te2 -","- C720 H800 Ge16 N32 Te16 -","8","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0735","0.0409","","","0.0721","0.0815","","","","","","1.046","","","","has coordinates","260253","2020-12-30","23:57:02",""
"4135437","11.0725","0.0003","16.4856","0.0006","22.3612","0.0007","101.491","0.003","101.127","0.002","100.578","0.002","3818.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C87 H97 Ge2 N4 S2 -","- C87 H97 Ge2 N4 S2 -","- C174 H194 Ge4 N8 S4 -","2","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0698","0.046","","","0.0914","0.1006","","","","","","1.044","","","","has coordinates","260254","2020-12-30","23:57:28",""
"4135438","12.8343","0.0004","14.2908","0.0005","17.1398","0.0006","82.394","0.003","84.112","0.003","87.309","0.003","3097.78","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H86 Ge2 N4 O -","- C70 H86 Ge2 N4 O -","- C140 H172 Ge4 N8 O2 -","2","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","1.54184","CuKα","","0.0576","0.0459","","","0.1143","0.1214","","","","","","1.032","","","","has coordinates","260255","2020-12-30","23:57:53",""
"4135439","13.7437","0.0004","20.2913","0.0004","24.8641","0.0004","90","","98.358","0.002","90","","6860.4","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H94 Cl2 Ge2 N4 O2 -","- C74 H94 Cl2 Ge2 N4 O2 -","- C296 H376 Cl8 Ge8 N16 O8 -","4","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0838","0.0515","","","0.1263","0.1325","","","","","","1.029","","","","has coordinates,has disorder","260256","2020-12-30","23:58:25",""
"4135440","33.739","0.0006","39.7538","0.001","43.9214","0.0013","90","","96.384","0.002","90","","58544","3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NP5H","","","- C351 H162 N20 O40 -","- C351 H162 N20 O40 -","- C1404 H648 N80 O160 -","4","1","","Xiao, Xiao; Pedersen, Stephan K.; Aranda, Daniel; Yang, Jingjing; Wiscons, Ren A.; Pittelkow, Michael; Steigerwald, Michael L.; Santoro, Fabrizio; Schuster, Nathaniel J.; Nuckolls, Colin","Chirality Amplified: Long, Discrete Helicene Nanoribbons","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11260","","x-ray","1.54184","CuKα","","0.2716","0.2168","","","0.4906","0.5446","","","","","","1.599","","","","has coordinates","260257","2020-12-30","23:59:03",""
"4135441","9.194","0.0004","12.409","0.0005","13.3632","0.0006","67.1523","0.0014","70.2511","0.0015","78.9093","0.0015","1319.04","0.1","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Cl14 F6 N2 O2 Ru2 -","- C40 H40 Cl14 F6 N2 O2 Ru2 -","- C40 H40 Cl14 F6 N2 O2 Ru2 -","1","0.5","","Crawley, Matthew R.; Zhang, Daoyang; Oldacre, Amanda N.; Beavers, Christine M.; Friedman, Alan E.; Cook, Timothy R.","Tuning the Reactivity of Cofacial Porphyrin Prisms for Oxygen Reduction Using Modular Building Blocks","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11895","","x-ray","0.71073","MoKα","","0.0484","0.0369","","","0.0777","0.0829","","","","","","1.07","","","","has coordinates,has disorder","260258","2020-12-30","23:59:25",""
"4135442","41.929","0.002","28.768","0.0014","25.7008","0.0014","90","","127.726","0.001","90","","24520","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228 H192 F36 N24 O22 Ru8 S4 Zn2 -","- C228 H192 F36 N24 O22 Ru8 S4 Zn2 -","- C912 H768 F144 N96 O88 Ru32 S16 Zn8 -","4","0.5","","Crawley, Matthew R.; Zhang, Daoyang; Oldacre, Amanda N.; Beavers, Christine M.; Friedman, Alan E.; Cook, Timothy R.","Tuning the Reactivity of Cofacial Porphyrin Prisms for Oxygen Reduction Using Modular Building Blocks","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11895","","","0.71073","MoKα","","0.2043","0.15","","","0.4041","0.4517","","","","","","1.555","","","","has coordinates,has disorder","260259","2020-12-31","00:00:00",""
"4135443","16.3718","0.0013","16.3947","0.0013","16.8901","0.0014","80.413","0.002","63.417","0.002","61.422","0.002","3553.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 N4 O11 P8 -","- C78 H78 N4 O11 P8 -","- C156 H156 N8 O22 P16 -","2","1","","Shepard, Scott M.; Kim, Hyehwang; Bang, Qing Xin; Alhokbany, Norah; Cummins, Christopher C.","Synthesis of α,δ-Disubstituted Tetraphosphates and Terminally-Functionalized Nucleoside Pentaphosphates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11884","","","0.71073","MoKα","","0.0382","0.0319","","","0.082","0.0859","","","","","","1.032","","","","has coordinates","260260","2020-12-31","00:00:28",""
"4135444","28.799","0.006","7.2045","0.0013","28.78","0.005","90","","119.657","0.005","90","","5189.1","1.7","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N6 O5 -","- C31 H26 N6 O5 -","- C248 H208 N48 O40 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.2068","0.0929","","","0.1824","0.2388","","","","","","0.985","","","","has coordinates","260261","2020-12-31","00:00:52",""
"4135445","15.002","0.0005","7.5587","0.0002","25.1734","0.0008","90","","101.094","0.002","90","","2801.21","0.15","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N4 O5 -","- C36 H26 N4 O5 -","- C144 H104 N16 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0888","0.0587","","","0.1401","0.1564","","","","","","1.052","","","","has coordinates,has disorder","260262","2020-12-31","00:01:16",""
"4135446","7.1148","0.0004","8.2264","0.0006","9.7166","0.0006","73.803","0.004","88.59","0.004","80.599","0.004","538.67","0.06","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0702","0.0493","","","0.1162","0.1278","","","","","","1.048","","","","has coordinates","260263","2020-12-31","00:01:33",""
"4135447","31.2029","0.0011","6.8944","0.0003","19.5728","0.0008","90","","99.506","0.002","90","","4152.8","0.3","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C184 H184 N40 O32 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0866","0.0564","","","0.1362","0.1532","","","","","","1.042","","","","has coordinates","260264","2020-12-31","00:01:57",""
"4135448","8.4913","0.001","12.9191","0.0013","17.326","0.002","79.92","0.007","77.96","0.008","73.429","0.007","1768.1","0.4","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H25 N11 -","- C44 H25 N11 -","- C88 H50 N22 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1853","0.0617","","","0.1396","0.1964","","","","","","0.915","","","","has coordinates","260265","2020-12-31","00:02:20",""
"4135449","8.3762","0.0004","12.8002","0.0006","17.106","0.0008","80.665","0.003","78.924","0.002","73.94","0.003","1718.04","0.14","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H25 N11 -","- C44 H25 N11 -","- C88 H50 N22 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0665","0.0491","","","0.1321","0.1449","","","","","","1.019","","","","has coordinates","260266","2020-12-31","00:02:37",""
"4135450","7.1207","0.0019","11.372","0.003","12.809","0.004","88.841","0.019","78.9","0.02","72.015","0.018","967.2","0.5","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22.27 H22.36 N2.37 O2.63 -","- C22.268 H22.366 N2.366 O2.634 -","- C44.536 H44.732 N4.732 O5.268 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.4451","0.1299","","","0.3044","0.4723","","","","","","0.918","","","","has coordinates,has disorder","260267","2020-12-31","00:03:05",""
"4135451","28.876","0.003","7.3487","0.0006","28.877","0.003","90","","119.746","0.005","90","","5320.3","0.9","298.15","","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N6 O5 -","- C31 H26 N6 O5 -","- C248 H208 N48 O40 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.3198","0.0989","","","0.1855","0.2727","","","","","","0.917","","","","has coordinates","260268","2020-12-31","00:03:33",""
"4135452","15.03","0.003","7.6625","0.0009","25.365","0.004","90","","100.908","0.013","90","","2868.4","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N4 O5 -","- C36 H26 N4 O5 -","- C144 H104 N16 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.5832","0.1698","","","0.2369","0.3806","","","","","","0.947","","","","has coordinates,has disorder","260269","2020-12-31","00:03:57",""
"4135453","7.1434","0.0006","8.2482","0.0007","10.0068","0.0009","107.04","0.006","91.24","0.006","97.381","0.006","557.95","0.09","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1325","0.0526","","","0.1228","0.1614","","","","","","0.956","","","","has coordinates","260270","2020-12-31","00:04:13",""
"4135454","10.9617","0.0005","15.6825","0.0008","13.4532","0.0007","90","","99.498","0.004","90","","2281","0.2","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1942","0.0829","","","0.1684","0.22","","","","","","0.978","","","","has coordinates","260271","2020-12-31","00:04:33",""
"4135455","31.3701","0.0017","7.0028","0.0004","19.8595","0.0011","90","","99.353","0.003","90","","4304.7","0.4","298.15","","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C184 H184 N40 O32 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1011","0.0534","","","0.1404","0.169","","","","","","1.042","","","","has coordinates","260272","2020-12-31","00:04:56",""
"4135456","7.4768","0.0002","8.769","0.0002","14.5437","0.0003","90","","97.775","0.002","90","","944.78","0.04","133.15","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 I N2 O -","- C22 H21 I N2 O -","- C44 H42 I2 N4 O2 -","2","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.026","0.0254","","","0.0642","0.0652","","","","","","1.056","","","","has coordinates","260303","2021-01-01","00:07:02",""
"4135457","8.377","0.0006","11.524","0.0008","22.2398","0.0012","90","","90","","90","","2147","0.2","113","2","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 I N2 O -","- C26 H21 I N2 O -","- C104 H84 I4 N8 O4 -","4","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.0452","0.0399","","","0.0927","0.096","","","","","","1.089","","","","has coordinates","260304","2021-01-01","00:07:31",""
"4135458","6.4155","0.0013","6.4155","0.0013","5.488","0.003","90","","90","","90","","225.88","0.14","295","","295","","358","","","","","","","2","I 4/m c m","-I 4 2c","140","","","MoBi2","- Bi2 Mo -","- Bi2 Mo -","- Bi8 Mo4 -","4","0.125","","Altman, Alison B.; Tamerius, Alexandra D.; Koocher, Nathan Z.; Meng, Yue; Pickard, Chris J.; Walsh, James P. S.; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E.","Computationally Directed Discovery of MoBi2","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09419","powder diffraction","","0.406626","","","2.68","","","","","","","","3.92","","","","","","","has coordinates","260305","2021-01-01","00:08:44",""
"4135459","5.8795","0.0003","6.8242","0.0004","17.4352","0.0009","81.502","0.006","88.355","0.006","63.886","0.005","620.72","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O14 Rb2 -","- C20 H24 N2 O14 Rb2 -","- C20 H24 N2 O14 Rb2 -","1","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0473","0.0438","","","0.1121","0.1144","","","","","","1.072","","","","has coordinates","260306","2021-01-01","00:09:10",""
"4135460","7.53515","0.00014","9.37159","0.00017","17.3157","0.0003","100.624","0.0012","98.803","0.0011","93.048","0.0012","1183.48","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 Na2 O14 -","- C20 H24 N2 Na2 O14 -","- C40 H48 N4 Na4 O28 -","2","1","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0668","0.0496","","","0.1242","0.136","","","","","","1.112","","","","has coordinates","260307","2021-01-01","00:09:30",""
"4135461","7.5163","0.0004","12.556","0.0007","16.8507","0.0009","83.769","0.006","81.148","0.006","80.127","0.006","1542.54","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O9.33 Rb2 -","- C20 H12 N2 O9.33333 Rb2 -","- C60 H36 N6 O28 Rb6 -","3","1.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0718","0.06","","","0.1644","0.1726","","","","","","1.092","","","","has coordinates","260308","2021-01-01","00:09:58",""
"4135462","5.1996","0.0011","6.5535","0.0014","16.494","0.004","92.691","0.007","95.914","0.007","98.42","0.007","551.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cs2 N2 O10 -","- C20 H12 Cs2 N2 O10 -","- C20 H12 Cs2 N2 O10 -","1","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.121","0.092","","","0.219","0.2437","","","","","","1.103","","","","has coordinates","260309","2021-01-01","00:10:22",""
"4135463","16.2707","","8.4478","","8.1981","","90","","91.212","","90","","1126.59","","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 K2 N2 O12 -","- C20 H20 K2 N2 O12 -","- C40 H40 K4 N4 O24 -","2","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.1719","0.0944","","","0.2266","0.3068","","","","","","0.908","","","","has coordinates","260310","2021-01-01","00:10:44",""
"4135464","35.295","0.003","35.295","0.003","26.356","0.003","90","","90","","90","","32833","5","141.68","","141.68","","","","","","","","","7","P 4/n :2","-P 4a","85","","202209d","","- C82.7 H72 F4 N2.7 O9.3 Rh2.7 S1.3 -","- C496 H432 F24 N16 O56 Rh16 S8 -","- C992 H864 F48 N32 O112 Rh32 S16 -","2","0.25","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.34139","synchrotron","","0.1339","0.1051","","","0.3156","0.3676","","","","","","1.2154","","","","has coordinates","260311","2021-01-01","00:12:12",""
"4135465","36.467","0.004","29.225","0.004","42.676","0.005","90","","102.209","0.005","90","","44453","9","140","2","140","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C128.67 H160 F12 N4 O37.33 Rh4 S4 -","- C351 H316 F27 N12 O53 Rh12 S9 -","- C1404 H1264 F108 N48 O212 Rh48 S36 -","4","0.5","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.54178","CuKα","","0.1497","0.1015","","","0.299","0.3446","","","","","","1.107","","","","has coordinates,has disorder","260312","2021-01-01","00:13:03",""
"4135466","15.8656","0.0007","18.5301","0.0008","27.9838","0.0012","92.145","0.002","104.593","0.002","110.192","0.002","7401.9","0.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H167 F12 N5 O26 Rh4 S4 -","- C273 H266 F21 N10 O41 Rh8 S7 -","- C273 H266 F21 N10 O41 Rh8 S7 -","1","0.5","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.34138","GaKα","","0.0655","0.0573","","","0.1595","0.1664","","","","","","1.025","","","","has coordinates,has disorder","260313","2021-01-01","00:13:36",""
"4135467","7.953","0.0001","18.4696","0.0002","17.102","0.0003","90","","93.875","0.001","90","","2506.35","0.06","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O11 S -","- C22 H28 N4 O11 S -","- C88 H112 N16 O44 S4 -","4","1","","Shen, Zican; Walker, Morgan M.; Chen, Shuming; Parada, Giovanny A.; Chu, Duc M.; Dongbang, Sun; Mayer, James M.; Houk, K. N.; Ellman, Jonathan A.","General Light-Mediated, Highly Diastereoselective Piperidine Epimerization: From Most Accessible to Most Stable Stereoisomer","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11911","","","1.54184","CuKα","","0.0498","0.0412","","","0.1062","0.112","","","","","","1.031","","","","has coordinates","260314","2021-01-01","00:14:01",""
"4135468","16.9893","0.0012","16.9893","0.0012","22.6602","0.0017","90","","90","","90","","6540.6","0.8","200.02","","200.02","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al7.2 Bi88 Ca111.52 Lu1.28 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0398","0.0303","","","0.0648","0.0681","","","","","","1.072","","","","has coordinates","260315","2021-01-01","00:16:02",""
"4135469","17.0092","0.0012","17.0092","0.0012","22.7001","0.0017","90","","90","","90","","6567.4","0.8","199.99","","199.99","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.89 Bi11 Ca13.95 Lu0.16 -","- Al0.889 Bi11 Ca13.948 Lu0.163 -","- Al7.112 Bi88 Ca111.584 Lu1.304 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0463","0.0318","","","0.0625","0.0668","","","","","","1.053","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135470","17.0115","0.0019","17.0115","0.0019","22.696","0.003","90","","90","","90","","6568","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.88 Bi11 Ca13.95 Lu0.17 -","- Al0.877 Bi11 Ca13.956 Lu0.167 -","- Al7.016 Bi88 Ca111.648 Lu1.336 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0467","0.0331","","","0.0714","0.0766","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135471","17.0165","0.0016","17.0165","0.0016","22.73","0.002","90","","90","","90","","6581.7","1","199.98","","199.98","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.85 Bi11 Ca13.96 Lu0.18 -","- Al0.852 Bi11 Ca13.964 Lu0.184 -","- Al6.816 Bi88 Ca111.712 Lu1.472 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0466","0.0336","","","0.0783","0.0836","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135472","17.026","0.002","17.026","0.002","22.735","0.003","90","","90","","90","","6590.5","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.86 Bi11 Ca13.95 Lu0.19 -","- Al0.855 Bi11 Ca13.952 Lu0.193 -","- Al6.84 Bi88 Ca111.616 Lu1.544 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0408","0.0305","","","0.0685","0.0722","","","","","","1.074","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135473","17.019","0.002","17.019","0.002","22.714","0.003","90","","90","","90","","6579","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.93 Bi11 Ca13.91 Tm0.17 -","- Al0.927 Bi11 Ca13.908 Tm0.165 -","- Al7.416 Bi88 Ca111.264 Tm1.32 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0499","0.0382","","","0.0967","0.1028","","","","","","1.047","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135474","17.029","0.002","17.029","0.002","22.689","0.003","90","","90","","90","","6579.5","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al Bi11 Ca13.9 La0.1 -","- Al Bi11 Ca13.9 La0.1 -","- Al8 Bi88 Ca111.2 La0.8 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0434","0.0305","","","0.064","0.0684","","","","","","1.068","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135475","6.75499","0.00015","10.0036","0.0002","28.9","0.0007","90","","90","","90","","1952.89","0.08","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br2 N O3 S -","- C21 H15 Br2 N O3 S -","- C84 H60 Br8 N4 O12 S4 -","4","1","","Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro","Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10682","","","1.54187","CuKα","","0.0246","0.0237","","","0.0575","0.0579","","","","","","1.065","","","","has coordinates","260316","2021-01-01","00:17:08",""
"4135476","10.1732","0.0005","10.8571","0.0005","14.6473","0.0007","71.482","0.005","78.632","0.006","79.222","0.006","1490.43","0.13","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H23 Br Cl2 N4 O5 S -","- C30 H23 Br Cl2 N4 O5 S -","- C60 H46 Br2 Cl4 N8 O10 S2 -","2","1","","Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro","Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10682","","","1.54187","CuKα","","0.1436","0.0647","","","0.1061","0.1286","","","","","","0.896","","","","has coordinates","260317","2021-01-01","00:17:30",""
"4135477","10.2586","0.0002","11.4779","0.0002","16.7535","0.0002","79.687","0.001","82.79","0.001","78.383","0.001","1892.84","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H54 F6 N3.8 O4 P3 Ru S2 -","- C26 H54 F6 N3.8 O4 P3 Ru S2 -","- C52 H108 F12 N7.6 O8 P6 Ru2 S4 -","2","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0392","0.031","","","0.0736","0.0765","","","","","","1.055","","","","has coordinates,has disorder","260318","2021-01-01","00:17:58",""
"4135478","10.5702","0.0002","18.7348","0.0004","24.3472","0.0005","90","","92.934","0.002","90","","4815.17","0.17","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 Cl2 F12 N4 O8 P3 Ru S4 -","- C29 H55 Cl2 F12 N4 O8 P3 Ru S4 -","- C116 H220 Cl8 F48 N16 O32 P12 Ru4 S16 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0378","0.0316","","","0.073","0.0754","","","","","","1.029","","","","has coordinates,has disorder","260319","2021-01-01","00:18:25",""
"4135479","11.433","0.003","18.944","0.005","18.126","0.005","90","","91.423","0.005","90","","3924.6","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 F12 N2 O8.25 P3 Ru S4 -","- C22 H45 F12 N2 O8.25 P3 Ru S4 -","- C88 H180 F48 N8 O33 P12 Ru4 S16 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0376","0.0331","","","0.0761","0.0786","","","","","","1.123","","","","has coordinates,has disorder","260320","2021-01-01","00:18:51",""
"4135480","12.6581","0.0004","14.3288","0.0004","20.7537","0.0006","90","","106.345","0.003","90","","3612.08","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 F6 N3 O4 P3 Ru S2 -","- C26 H52 F6 N3 O4 P3 Ru S2 -","- C104 H208 F24 N12 O16 P12 Ru4 S8 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0401","0.0335","","","0.0794","0.0819","","","","","","1.033","","","","has coordinates,has disorder","260321","2021-01-01","00:19:17",""
"4135481","13.713","0.0005","13.7765","0.0004","15.619","0.0004","86.125","0.002","86.183","0.003","60.219","0.003","2553.29","0.16","100","0.2","100","0.2","","","","","","","","6","P 1","P 1","1","","","","- C39 H74 Au0.5 K0.5 N O35 -","- C39 H74 Au0.49995 K0.5 N O35 -","- C78 H148 Au0.9999 K N2 O70 -","2","2","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0763","0.0571","","","0.1313","0.1383","","","","","","1.032","","","","has coordinates,has disorder","260322","2021-01-01","00:19:47",""
"4135482","13.99063","0.00013","23.4405","0.0002","51.2967","0.0004","90","","90","","90","","16822.6","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H74 Au K N2 O37 -","- C38 H74 Au K N2 O37 -","- C456 H888 Au12 K12 N24 O444 -","12","3","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","1.54184","CuKα","","0.0652","0.0588","","","0.1425","0.1474","","","","","","1.022","","","","has coordinates","260323","2021-01-01","00:20:23",""
"4135483","13.7332","0.0005","13.7848","0.0005","15.6408","0.0007","86.135","0.004","86.215","0.003","60.269","0.004","2563.5","0.2","99.98","0.17","99.98","0.17","","","","","","","","6","P 1","P 1","1","","","","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","1","1","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0791","0.0755","","","0.1968","0.1988","","","","","","1.102","","","","has coordinates,has disorder","260324","2021-01-01","00:20:44",""
"4135484","25.65","0.005","16.48","0.003","17.35","0.004","90","","106.05","0.03","90","","7048","3","160","2","160","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H52 N5 Ni Sc3 -","- C464 H208 N20 Ni4 Sc12 -","4","0.5","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.1172","0.0925","","","0.2737","0.3143","","","","","","1.097","","","","has coordinates","260325","2021-01-01","00:21:20",""
"4135485","17.21","0.003","16.42","0.003","25.76","0.005","90","","106.31","0.03","90","","6987","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H55 N5 Ni Sc3 -","- C464 H220 N20 Ni4 Sc12 -","4","1","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.094","0.0805","","","0.2244","0.238","","","","","","1.059","","","","has coordinates,has disorder","260326","2021-01-01","00:21:53",""
"4135486","25.67","0.005","16.53","0.003","17.42","0.004","90","","105.99","0.03","90","","7106","3","220","2","220","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H52 N5 Ni Sc3 -","- C464 H208 N20 Ni4 Sc12 -","4","0.5","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.1278","0.098","","","0.3036","0.3479","","","","","","1.081","","","","has coordinates","260327","2021-01-01","00:22:27",""
"4135487","35.208","0.009","8.244","0.002","9.711","0.003","90","","90","","90","","2818.7","1.3","296","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","","Yao, Ya-Hong; Yang, Hui-Yi; Chen, Ming; Wu, Fei; Xu, Xing-Xing; Guan, Zheng-Hui","Asymmetric Markovnikov Hydroaminocarbonylation of Alkenes Enabled by Palladium-Monodentate Phosphoramidite Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11249","","","0.71073","MoKα","","0.0993","0.0537","","","0.1067","0.1243","","","","","","0.969","","","","has coordinates","260328","2021-01-01","00:30:21",""
"4135488","21.642","0.0003","24.0386","0.0004","25.2054","0.0004","80.592","0.001","81.819","0.001","79.012","0.001","12615.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C223 H178.5 Ag8 F36 I2 N48.5 O25.5 S12 -","- C223.002 H171 Ag8 F36 I2 N48.501 O25.5 S12 -","- C446.004 H342 Ag16 F72 I4 N97.002 O51 S24 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11905","","","0.6889","Synchrotron","","0.1226","0.0741","","","0.2033","0.2245","","","","","","0.965","","","","has coordinates,has disorder","260329","2021-01-01","00:31:00",""
"4135489","23.9775","0.0001","23.9775","0.0001","70.6392","0.0003","90","","90","","120","","35171","0.3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C221 H204.5 Ag12 B4 F16 N46.5 O22.5 S4 -","- C220.999 H179.001 Ag12 B3.9999 F15.9996 N46.4995 O22.5001 S4 -","- C1326 H1074.01 Ag72 B23.9994 F95.9976 N278.997 O135.001 S24 -","6","0.333333","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11905","","","0.6889","","","0.0608","0.0474","","","0.1646","0.1703","","","","","","1.071","","","","has coordinates,has disorder","260330","2021-01-01","00:31:51",""
"4135490","9.068","0.004","18.588","0.009","14.778","0.007","90","","97.915","0.006","90","","2467","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Fe N P -","- C28 H30 Fe N P -","- C112 H120 Fe4 N4 P4 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","","0.71","synchrotron","","0.0898","0.0515","","","0.1207","0.1449","","","","","","1.0883","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135491","10.3021","0.0002","15.5176","0.0003","15.833","0.0002","90","","97.035","0.001","90","","2512.07","0.08","172.98","0.1","172.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Fe O P -","- C28 H41 Fe O P -","- C112 H164 Fe4 O4 P4 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.049","0.0396","","","0.0896","0.0953","","","","","","1.062","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135492","11.1228","0.0004","12.5847","0.0005","14.3033","0.0005","68.935","0.003","74.78","0.003","72.989","0.003","1758.59","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Fe N3 P Sn -","- C36 H46 Fe N3 P Sn -","- C72 H92 Fe2 N6 P2 Sn2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","","1.54184","CuKα","","0.051","0.0407","","","0.1036","0.113","","","","","","1.065","","","","has coordinates,has disorder","260331","2021-01-01","00:33:48",""
"4135493","10.3649","0.0005","12.66","0.0006","20.0264","0.0007","80.482","0.003","81.219","0.004","66.868","0.005","2372.1","0.2","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 Fe N P Sn2 -","- C48 H76 Fe N P Sn2 -","- C96 H152 Fe2 N2 P2 Sn4 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.071","0.0552","","","0.1355","0.1529","","","","","","1.054","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135494","11.1311","0.0005","12.5609","0.0006","14.3749","0.0005","68.552","0.004","73.77","0.004","72.278","0.004","1749.54","0.14","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H48 Fe N O P Sn -","- C37 H48 Fe N O P Sn -","- C74 H96 Fe2 N2 O2 P2 Sn2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.055","0.0468","","","0.1127","0.1169","","","","","","1.017","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135495","10.2056","0.0004","11.5487","0.0004","13.9039","0.0003","100.883","0.002","90.65","0.002","113.739","0.004","1466.13","0.1","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Fe N P -","- C36 H36 Fe N P -","- C72 H72 Fe2 N2 P2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0409","0.0378","","","0.0997","0.1014","","","","","","1.089","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135496","10.5741","0.0002","17.7274","0.0003","33.2179","0.0005","90","","92.91","0.002","90","","6218.71","0.18","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Fe2 O2 P2 -","- C72 H94 Fe2 O2 P2 -","- C288 H376 Fe8 O8 P8 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0917","0.0728","","","0.1936","0.2412","","","","","","1.07","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135497","10.3227","0.0004","12.8127","0.0005","13.4047","0.0005","99.047","0.003","101.93","0.003","92.236","0.003","1708.36","0.12","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H51 Fe2 O P -","- C40 H51 Fe2 O P -","- C80 H102 Fe4 O2 P2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0522","0.0384","","","0.0866","0.0967","","","","","","1.046","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135542","11.506","0.008","12.614","0.006","17.118","0.016","75.681","0.017","71.28","0.03","88.66","0.015","2276","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H68 N2 O3 Ru -","- C53 H68 N2 O3 Ru -","- C106 H136 N4 O6 Ru2 -","2","1","","Xu, Yan; Wong, Jonathan J.; Samkian, Adrian E.; Ko, Jeong Hoon; Chen, Shuming; Houk, K. N.; Grubbs, Robert H.","Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts","Journal of the American Chemical Society","2020","142","","20987","20993","10.1021/jacs.0c11334","","","0.71073","MoKα","","0.0475","0.0338","","","0.0722","0.0768","","","","","","1.04","","","","has coordinates","261190","2021-01-25","10:14:17",""
"4350770","16.3338","0.0008","18.9402","0.0006","19.5016","0.0008","90","","107.165","0.003","90","","5764.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H110 Ge12 N4 Nd10 O84 -","- C62 H56 Ge12 N4 Nd10 O84 -","- C124 H112 Ge24 N8 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Correction to Lanthanide Germanate Cluster Organic Frameworks Based on {Ln<sub>8</sub>Ge<sub>12</sub>} Clusters: From One-Dimensional Chains to Two- Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2020","59","5","3340","3340","10.1021/acs.inorgchem.9b03158","","","0.71073","MoKα","","0.0525","0.0458","","","0.1171","0.1223","","","","","","1.065","","","","has coordinates","257106","2020-10-21","18:00:00",""
"4350771","16.425","0.006","18.842","0.006","19.184","0.007","90","","106.542","0.005","90","","5691","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Ge12 N6 Nd10 O84 -","- C60 H60 Ge12 N6 Nd10 O84 -","- C120 H120 Ge24 N12 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Correction to Lanthanide Germanate Cluster Organic Frameworks Based on {Ln<sub>8</sub>Ge<sub>12</sub>} Clusters: From One-Dimensional Chains to Two- Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2020","59","5","3340","3340","10.1021/acs.inorgchem.9b03158","","","0.71073","MoKα","","0.0498","0.0377","","","0.0934","0.1042","","","","","","1.047","","","","has coordinates","257106","2020-10-21","18:00:00",""
"4350772","10.6118","0.0004","3.70869","0.00011","6.13996","0.00019","90","","106.44","0.0008","90","","231.764","0.013","1.5","","1.5","","","","","","","","","4","C 1 2/m 1","-C 2y","12","cobalt(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)cobalt(II)]","","- C2 Co N2 S2 -","- C2 Co N2 S2 -","- C4 Co2 N4 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","0.0718","","","","","","","has coordinates","287952","2023-12-03","17:53:14",""
"4350773","10.63","0.016","3.742","0.006","6.168","0.01","90","","105.038","0.007","90","","236.9","0.6","10","","10","","","","","","","","","4","C 1 2/m 1","-C 2y","12","iron(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)iron(II)]","","- C2 Fe N2 S2 -","- C2 Fe N2 S2 -","- C4 Fe2 N4 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","2.97","","","","","","","has coordinates","287952","2023-12-03","17:53:15",""
"4350774","10.837","0.0017","3.8824","0.0006","6.2175","0.0009","90","","105.348","0.002","90","","252.26","0.07","1.5","","1.5","","","","","","","","","4","C 1 2/m 1","-C 2y","12","manganese(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)manganese(II)]","","- C2 Mn N2 S2 -","- C2 Mn N2 S2 -","- C4 Mn2 N4 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","0.299","","","","","","","has coordinates","287952","2023-12-03","17:53:15",""
"4350775","10.507","0.0005","3.61889","0.00005","6.16252","0.00016","90","","107.509","0.003","90","","223.465","0.013","1.5","","1.5","","","","","","","","","4","C 1 2/m 1","-C 2y","12","nickel(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)nickel(II)]","","- C2 N2 Ni S2 -","- C2 N2 Ni S2 -","- C4 N4 Ni2 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","0.376","","","","","","","has coordinates","287952","2023-12-03","17:53:15",""
"4350776","6.72257","0.0001","9.34586","0.00015","9.00894","0.00013","90","","102.883","0.0013","90","","551.768","0.015","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B4 Dy2 K2 Li4 O12 -","- B4 Dy2 K2 Li4 O12 -","- B8 Dy4 K4 Li8 O24 -","2","0.5","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0443","0.0266","","","0.0325","0.0348","","","","","","1.048","","","","has coordinates","260042","2020-12-21","16:21:17",""
"4350777","6.69887","0.00005","9.28866","0.00006","8.97274","0.00007","90","","102.751","0.0006","90","","544.546","0.007","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 Er K Li2 O6 -","- B2 Er K Li2 O6 -","- B8 Er4 K4 Li8 O24 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0143","0.0117","","","0.0241","0.0246","","","","","","1.074","","","","has coordinates","260043","2020-12-21","16:21:53",""
"4350778","6.71112","0.00005","9.31737","0.00006","8.99091","0.00006","90","","102.826","0.0006","90","","548.175","0.007","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 Ho K Li2 O6 -","- B2 Ho K Li2 O6 -","- B8 Ho4 K4 Li8 O24 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0299","0.0202","","","0.0303","0.0319","","","","","","1.053","","","","has coordinates","260044","2020-12-21","16:25:29",""
"4350779","6.68034","0.00008","9.25845","0.00001","8.94919","0.00012","90","","102.666","0.001","90","","540.034","0.01","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 K Li2 O6 Tm -","- B2 K Li2 O6 Tm -","- B8 K4 Li8 O24 Tm4 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0287","0.0195","","","0.0295","0.031","","","","","","1.042","","","","has coordinates","260045","2020-12-21","16:25:49",""
"4350780","6.71322","0.00006","9.30571","0.00008","8.9865","0.00008","90","","102.835","0.0008","90","","547.371","0.009","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 K Li2 O6 Y -","- B2 K Li2 O6 Y -","- B8 K4 Li8 O24 Y4 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.064","0.0328","","","0.0497","0.0559","","","","","","1.005","","","","has coordinates","260046","2020-12-21","16:26:16",""
"4350781","6.68262","0.00004","9.22959","0.00005","8.93478","0.00006","90","","102.592","0.0005","90","","537.823","0.006","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 K Li2 O6 Yb -","- B2 K Li2 O6 Yb -","- B8 K4 Li8 O24 Yb4 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0125","0.0118","","","0.0318","0.0321","","","","","","1.054","","","","has coordinates","260047","2020-12-21","16:26:38",""
"4350782","11.9086","0.0005","21.6399","0.0008","14.8958","0.0006","90","","102.158","0.002","90","","3752.6","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N'-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]ethanimidamide) -(N-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]ethanimidamide)-cobalt diperchlorate acetonitrile solvate","","- C28 H33 Cl2 Co N18 O8 -","- C28 H33 Cl2 Co N18 O8 -","- C112 H132 Cl8 Co4 N72 O32 -","4","1","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","","1.54178","CuKα","","0.0642","0.0528","","","0.1422","0.1521","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","260193","2020-12-29","19:58:36",""
"4350783","11.5878","0.0006","7.4968","0.0004","21.0318","0.0011","90","","100.942","0.003","90","","1793.85","0.16","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","bis(acetonitrile)-diaqua-bis[6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine] -cobalt diperchlorate acetonitrile solvate","","- C24 H32 Cl2 Co N16 O10 -","- C24 H32 Cl2 Co N16 O10 -","- C48 H64 Cl4 Co2 N32 O20 -","2","0.5","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","","1.54178","CuKα","","0.0789","0.0446","","","0.0945","0.1016","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","260194","2020-12-29","19:58:49",""
"4350784","24.4834","0.0007","9.8021","0.0003","24.8817","0.0007","90","","101.822","0.001","90","","5844.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(acetonitrile)-bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine] -cobalt diperchlorate","","- C20 H22 Cl2 Co N14 O8 -","- C20 H22 Cl2 Co N14 O8 -","- C160 H176 Cl16 Co8 N112 O64 -","8","1","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","x-ray","1.34139","GaKα","","0.0482","0.0452","","","0.1251","0.1289","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","260195","2020-12-29","19:59:08",""
"4350785","12.5415","0.0003","16.956","0.0004","23.1839","0.0006","90","","105.14","0.001","90","","4759","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N'-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamide) -(N-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamido)-cobalt diperchlorate benzonitrile ethyl acetate solvate","","- C83 H87 Cl4 Co2 N29 O24 -","- C83 H87 Cl4 Co2 N29 O24 -","- C166 H174 Cl8 Co4 N58 O48 -","2","0.5","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","x-ray","1.34139","GaKα","","0.0501","0.0474","","","0.1298","0.1326","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","260197","2020-12-29","20:22:47",""
"4350786","12.328","0.0003","20.9629","0.0005","23.1256","0.0005","90","","90.308","0.001","90","","5976.3","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N'-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamide) -(N-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamido)-cobalt diperchlorate benzonitrile ethyl acetate solvate","","- C62 H54 B Co F4 N18 O -","- C62 H54 B Co F4 N18 O -","- C248 H216 B4 Co4 F16 N72 O4 -","4","1","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","x-ray","1.34139","GaKα","","0.0356","0.033","","","0.0864","0.0886","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","260198","2020-12-29","20:28:29",""
"4517292","9.2782","0.0001","9.2782","0.0001","39.8985","0.0013","90","","90","","90","","3434.66","0.12","296","2","296","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H23 N O -","- C18 H23 N O -","- C144 H184 N8 O8 -","8","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0873","0.0735","","","0.2262","0.2407","","","","","","1.062","","","","has coordinates","246429","2020-10-21","18:00:00",""
"4517293","5.6249","0.0003","8.6932","0.0007","34.663","0.002","90","","92.653","0.006","90","","1693.15","0.19","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0801","0.0539","","","0.1339","0.1552","","","","","","1.049","","","","has coordinates","246430","2020-10-21","18:00:00",""
"4517294","6.5339","0.0004","8.3328","0.0005","15.0376","0.0007","85.743","0.004","84.357","0.004","77.273","0.005","793.58","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C32 H42 N2 O6 -","2","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0575","0.0477","","","0.1369","0.1469","","","","","","1.046","","","","has coordinates","246431","2020-10-21","18:00:00",""
"4517295","9.47792","0.00011","11.47657","0.00011","15.35077","0.00016","90","","90","","90","","1669.76","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0542","0.053","","","0.1623","0.1647","","","","","","1.07","","","","has coordinates","246432","2020-10-21","18:00:00",""
"4517296","7.638","0.0001","11.3062","0.0002","20.7899","0.0003","90","","95.235","0.001","90","","1787.86","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0516","0.0463","","","0.1311","0.1384","","","","","","1.03","","","","has coordinates","246433","2020-10-21","18:00:00",""
"4517297","16.66","0.001","15.5656","0.0008","28.2198","0.0016","90","","97.375","0.004","90","","7257.5","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 n 1","P -2yac","7","","","","- C84 H54 Cl2 P2 Pd -","- C84 H54 Cl2 P2 Pd -","- C336 H216 Cl8 P8 Pd4 -","4","2","","Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan","Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex.","ACS omega","2020","5","1","882","892","10.1021/acsomega.9b03830","","","1.54178","CuKα","","0.2117","0.1004","","","0.2611","0.3273","","","","","","0.97","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517301","18.756","0.002","18.756","0.002","37.339","0.01","90","","90","","120","","11376","3","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H12 Cu2 O10 Se -","- C24 H12 Cu2 O10 Se -","- C216 H108 Cu18 O90 Se9 -","9","0.25","","Dong, Qiubing; Guo, Yanan; Cao, Haifei; Wang, Suna; Matsuda, Ryotaro; Duan, Jingui","Accelerated C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation by a Se-Functionalized Porous Coordination Polymer with Low Binding Energy.","ACS applied materials & interfaces","2020","12","3","3764","3772","10.1021/acsami.9b20623","","","0.71073","MoKα","","0.0989","0.0792","","","0.2637","0.289","","","","","","1.149","","","","has coordinates,has disorder","247520","2020-10-21","18:00:00",""
"4517302","12.7592","0.0007","12.8409","0.0007","21.6356","0.0012","85.111","0.001","78.328","0.001","76.463","0.001","3372.4","0.3","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H61 B F24 N2 Pd -","- C69 H61 B F24 N2 Pd -","- C138 H122 B2 F48 N4 Pd2 -","2","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1179","0.0593","","","0.1191","0.1473","","","","","","1.006","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517303","13.8611","0.0016","16.2187","0.0019","16.4272","0.0019","90","","95.818","0.003","90","","3674","0.7","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 F6 N2 Pd Sb -","- C37 H49 F6 N2 Pd Sb -","- C148 H196 F24 N8 Pd4 Sb4 -","4","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.0572","0.0381","","","0.0752","0.0839","","","","","","1.014","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517304","12.2879","0.0006","12.5324","0.0007","25.74","0.0014","90","","101.171","0.001","90","","3888.8","0.4","120","2","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H49.88 B Cl3 F4 N2 Pd -","- C38 H49.886 B Cl3 F4 N2 Pd -","- C152 H199.544 B4 Cl12 F16 N8 Pd4 -","4","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1039","0.0843","","","0.1769","0.1854","","","","","","1.105","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517305","12.7466","0.0011","13.1407","0.0011","21.5974","0.0019","77.667","0.002","83.865","0.002","74.979","0.002","3408.2","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H63 B F24 N2 Pd -","- C70 H63 B F24 N2 Pd -","- C140 H126 B2 F48 N4 Pd2 -","2","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1379","0.0788","","","0.1746","0.2071","","","","","","1.011","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517306","23.6621","0.0003","23.6621","0.0003","7.5296","0.0002","90","","90","","120","","3650.98","0.12","99.9","0.5","99.9","0.5","","","","","","","","6","P 63/m","-P 6c","176","","","","- C22 H33 N3 O4 S Si -","- C22 H33 N3 O4 S Si -","- C132 H198 N18 O24 S6 Si6 -","6","0.5","","Prybil, Joshua W.; Wallace, Rodney; Warren, Alexandra; Klingman, Jordan; Vaillant, Romane; Hall, Michael B.; Yang, Xin; Brennessel, William W.; Chin, Robert M.","Silylation of Pyridine, Picolines, and Quinoline with a Zinc Catalyst","ACS Omega","2020","5","3","1528","1539","10.1021/acsomega.9b03317","","x-ray","1.54184","CuKα","","0.1383","0.1365","","","0.3691","0.3702","","","","","","1.184","","","","has coordinates,has disorder","257079","2020-10-21","18:00:00",""
"4517307","11.0617","0.0002","24.4886","0.0005","17.3459","0.0004","90","","122.08","0.002","90","","3981.29","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 B2 N4 P2 Ti -","- C41 H50 B2 N4 P2 Ti -","- C164 H200 B8 N16 P8 Ti4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0535","0.0482","","","0.1342","0.1401","","","","","","1.066","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517308","10.8835","0.001","13.0462","0.0014","26.353","0.002","95.711","0.008","101.515","0.007","101.049","0.008","3561.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B2 Cl0 N2 P2 Zr -","- C40 H40 B2 N2 P2 Zr -","- C160 H160 B8 N8 P8 Zr4 -","4","2","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0399","0.0341","","","0.0849","0.089","","","","","","1.027","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517309","12.6729","0.0002","21.3485","0.0003","23.3993","0.0005","90","","96.078","0.002","90","","6295.03","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 B4 N4 P4 Zr -","- C60 H60 B4 N4 P4 Zr -","- C240 H240 B16 N16 P16 Zr4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.1165","0.0924","","","0.2751","0.3015","","","","","","1.261","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517310","9.2067","0.001","5.9745","0.0007","24.769","0.003","90","","91.977","0.007","90","","1361.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C72 H80 N8 -","4","1","","Padhi, Birakishore; Kang, Geunhee; Kim, Eunmin; Ha, Jeongmin; Kim, Hyun Tae; Lim, Jeewoo; Joo, Jung Min","Pd-Catalyzed C‒H Annulation of Five-Membered Heteroaryl Halides with Norbornene Derivatives","ACS Catalysis","2020","","","1792","1798","10.1021/acscatal.9b05177","","","0.71073","MoKα","","0.0773","0.0608","","","0.1601","0.17","","","","","","1.065","","","","has coordinates","257060","2020-10-21","18:00:00",""
"4517311","8.6336","0.0002","28.9267","0.0006","8.0359","0.0002","90","","107.081","0.003","90","","1918.37","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N O3 S -","- C25 H15 N O3 S -","- C100 H60 N4 O12 S4 -","4","1","","Mu, Yingxiao; Xu, Bingjia; Yang, Zhan; Wen, Hanhui; Yang, Zhiyong; Mane, Sunil Kumar Baburao; Zhao, Juan; Zhang, Yi; Chi, Zhenguo; Tang, Ben Zhong","Reversible and Continuous Color-Tunable Persistent Luminescence of Metal-Free Organic Materials by ""Self""-Interface Energy Transfer.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19919","","","1.54178","CuKα","","0.0407","0.0364","","","0.0947","0.0986","","","","","","1.042","","","","has coordinates","246824","2020-10-21","18:00:00",""
"4517312","8.5934","0.0002","28.5006","0.0006","8.00518","0.00017","90","","106.664","0.003","90","","1878.27","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H60 N4 O12 S4 -","- C100 H60 N4 O12 S4 -","- C100 H60 N4 O12 S4 -","1","0.25","","Mu, Yingxiao; Xu, Bingjia; Yang, Zhan; Wen, Hanhui; Yang, Zhiyong; Mane, Sunil Kumar Baburao; Zhao, Juan; Zhang, Yi; Chi, Zhenguo; Tang, Ben Zhong","Reversible and Continuous Color-Tunable Persistent Luminescence of Metal-Free Organic Materials by ""Self""-Interface Energy Transfer.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19919","","x-ray","1.54184","CuKα","","0.052","0.0458","","","0.1221","0.1309","","","","","","1.06","","","","has coordinates","246824","2020-10-21","18:00:00",""
"4517313","11.2531","0.0005","19.4921","0.0006","19.6596","0.0003","96.865","0.002","95.807","0.002","92.809","0.003","4251.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H76 F5 N4 O3 S4 -","- C83 H76 F5 N4 O3 S4 -","- C166 H152 F10 N8 O6 S8 -","2","1","","Feng, Shiyu; Li, Miao; Tang, Ningning; Wang, Xiaodong; Huang, Hao; Ran, Guangliu; Liu, Yahui; Xie, Zengqi; Zhang, Wenkai; Bo, Zhishan","Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance of Organic Solar Cells.","ACS applied materials & interfaces","2020","12","4","4638","4648","10.1021/acsami.9b18076","","x-ray","1.54184","CuKα","","0.1875","0.1338","","","0.3507","0.4018","","","","","","1.232","","","","has coordinates,has disorder","247518","2020-10-21","18:00:00",""
"4517314","12.6483","0.0005","12.9721","0.0006","14.7724","0.0004","105.314","0.003","99.476","0.003","116.269","0.004","1982.13","0.17","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C91.94 H103.54 F0.34 N4 O3.66 S4 -","- C91.948 H103.554 F0.342 N4 O3.658 S4 -","- C91.948 H103.554 F0.342 N4 O3.658 S4 -","1","0.5","","Feng, Shiyu; Li, Miao; Tang, Ningning; Wang, Xiaodong; Huang, Hao; Ran, Guangliu; Liu, Yahui; Xie, Zengqi; Zhang, Wenkai; Bo, Zhishan","Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance of Organic Solar Cells.","ACS applied materials & interfaces","2020","12","4","4638","4648","10.1021/acsami.9b18076","","x-ray","1.54184","CuKα","","0.14","0.1143","","","0.306","0.3341","","","","","","1.287","","","","has coordinates,has disorder","247518","2020-10-21","18:00:00",""
"4517315","11.302","0.007","11.408","0.007","6.494","0.004","90","","90","","90","","837.3","0.9","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Cl2 O18 Sr4 -","- B10 Cl2 O18 Sr4 -","- B20 Cl4 O36 Sr8 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","247519","2020-10-21","18:00:00",""
"4517316","11.1369","0.0006","11.2626","0.0005","6.2995","0.0003","90","","90","","90","","790.15","0.07","101.3","0.3","101.3","0.3","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Ca4 Cl2 O18 -","- B10 Ca4 Cl2 O18 -","- B20 Ca8 Cl4 O36 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","0.71073","MoKα","","0.0327","0.0309","","","0.0633","0.0642","","","","","","1.056","","","","has coordinates","247519","2020-10-21","18:00:00",""
"4517318","16.0799","0.0018","18.649","0.002","19.39","0.002","102.207","0.003","114.118","0.003","93.054","0.003","5123","1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H94 O26 S8 Zn3 -","- C96 H58 O20 S8 Zn3 -","- C192 H116 O40 S16 Zn6 -","2","1","","Gordillo, Monica A.; Benavides, Paola A.; Panda, Dillip K.; Saha, Sourav","The Advent of Electrically Conducting Double-Helical Metal-Organic Frameworks Featuring Butterfly-Shaped Electron-Rich π-Extended Tetrathiafulvalene Ligands.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20234","","","0.71073","MoKα","","0.1425","0.1046","","","0.2607","0.2887","","","","","","1.042","","","","has coordinates,has disorder","246970","2020-10-21","18:00:00",""
"4517319","11.5972","0.0005","9.6059","0.0004","13.0289","0.0005","90","","107.205","0.004","90","","1386.49","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","","Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao","Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones","ACS Catalysis","2020","","","1947","1953","10.1021/acscatal.9b04112","","x-ray","1.54184","CuKα","","0.0628","0.0534","","","0.1404","0.16","","","","","","1.078","","","","has coordinates","257042","2020-10-21","18:00:00",""
"4517320","11.3444","0.0002","16.6403","0.0003","10.0554","0.0002","90","","103.695","0.002","90","","1844.23","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao","Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones","ACS Catalysis","2020","","","1947","1953","10.1021/acscatal.9b04112","","x-ray","1.54184","CuKα","","0.0529","0.0468","","","0.1209","0.1286","","","","","","1.061","","","","has coordinates,has disorder","257042","2020-10-21","18:00:00",""
"4517321","11.6212","0.0001","13.0997","0.0002","25.0298","0.0003","90","","97.156","0.001","90","","3780.71","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 Mn2 N3 O11 -","- C38 H35 Mn2 N3 O11 -","- C152 H140 Mn8 N12 O44 -","4","1","","Sun, Fang-Zhou; Yang, Shan-Qing; Krishna, Rajamani; Zhang, Ying-Hui; Xia, Yu-Pei; Hu, Tong-Liang","Microporous Metal-Organic Framework with a Completely Reversed Adsorption Relationship for C<sub>2</sub> Hydrocarbons at Room Temperature.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b22410","","x-ray","1.54184","CuKα","","0.0503","0.0461","","","0.1277","0.1305","","","","","","1.055","","","","has coordinates","247192","2020-10-21","18:00:00",""
"4517322","12.5702","0.0005","16.2085","0.0007","33.5599","0.0014","90","","90","","90","","6837.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinopropyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C36 H42 Fe N4 O6 -","- C36 H42 Fe N4 O6 -","- C288 H336 Fe8 N32 O48 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0706","0.0419","","","0.0848","0.0957","","","","","","1.046","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517323","12.3781","0.0008","16.2241","0.001","31.858","0.002","90","","90","","90","","6397.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinoethyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C34 H38.5 Fe N4 O6.25 -","- C34 H38.5 Fe N4 O6.25 -","- C272 H308 Fe8 N32 O50 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0524","0.0368","","","0.0857","0.0944","","","","","","1.016","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517324","15.3766","0.0003","15.3766","0.0003","15.4761","0.0005","90","","90","","90","","3659.17","0.16","180.01","0.1","180.01","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H10 F20 N4 Ni O2 -","- C43 H10 F20 N4 Ni O2 -","- C172 H40 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0476","0.041","","","0.1058","0.1149","","","","","","1.096","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517325","15.4016","0.0001","15.4016","0.0001","15.4334","0.0004","90","","90","","90","","3660.95","0.1","180.1","0.2","180.1","0.2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H8 F20 N4 Ni O2 -","- C43 H8 F20 N4 Ni O2 -","- C172 H32 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0313","0.0305","","","0.0865","0.0875","","","","","","1.043","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517326","8.379","0.0007","9.2459","0.0008","12.5657","0.001","80.0558","0.0019","75.674","0.002","72.1841","0.0017","893","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Br2 N2 Ni O S -","- C16 H18 Br2 N2 Ni O S -","- C32 H36 Br4 N4 Ni2 O2 S2 -","2","1","","Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki","Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn","ACS Catalysis","2020","","","2117","2123","10.1021/acscatal.9b05141","","","0.71073","MoKα","","0.0323","0.0238","","","0.0537","0.0562","","","","","","1.056","","","","has coordinates","257027","2020-10-21","18:00:00",""
"4517327","12.3683","0.0006","11.2848","0.0005","32.6128","0.0013","90","","90","","90","","4551.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Br N4 Ni -","- C28 H24 Br N4 Ni -","- C224 H192 Br8 N32 Ni8 -","8","1","","Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki","Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn","ACS Catalysis","2020","","","2117","2123","10.1021/acscatal.9b05141","","","0.71075","MoKα","","0.1232","0.0617","","","0.1337","0.1561","","","","","","1.068","","","","has coordinates","257027","2020-10-21","18:00:00",""
"4517328","18.1357","0.0003","18.1424","0.0004","17.9779","0.0004","90","","90.1029","0.0015","90","","5915.2","0.2","150.01","0.12","150.01","0.12","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H60 B F24 P2 Rh -","- C57 H60 B F24 P2 Rh -","- C228 H240 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0273","0.0269","","","0.0706","0.0711","","","","","","1.049","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517329","35.55","0.0005","17.7103","0.0002","18.7565","0.0003","90","","90","","90","","11809.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H56 B F26 P2 Rh -","- C56 H56 B F26 P2 Rh -","- C448 H448 B8 F208 P16 Rh8 -","8","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.1167","0.1069","","","0.278","0.2856","","","","","","1.032","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517330","13.8945","0.0002","17.8193","0.0002","23.5243","0.0004","90","","96.457","0.001","90","","5787.44","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B F24 P2 Rh -","- C54 H60 B F24 P2 Rh -","- C216 H240 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.055","0.041","","","0.104","0.1133","","","","","","1.025","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517331","17.59335","0.00007","18.77356","0.0001","35.33268","0.00014","90","","91.6093","0.0004","90","","11665.4","0.09","150.02","0.18","150.02","0.18","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H58 B F24 P2 Rh -","- C54 H58 B F24 P2 Rh -","- C432 H464 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.038","0.0332","","","0.0839","0.0874","","","","","","1.017","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517332","24.0564","0.0002","18.6694","0.0002","12.3508","0.0001","90","","90","","90","","5546.97","0.09","150","0.13","150","0.13","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C202 H212 B4 Cl4 F96 P8 Rh4 -","2","0.5","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0477","0.0441","","","0.11","0.113","","","","","","1.03","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517333","13.4962","0.0005","15.0316","0.0004","15.0479","0.0003","86.52","0.002","82.231","0.002","64.562","0.003","2731.48","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H53.94 B F24 P2 Rh -","- C50 H53.9326 B F24 P2 Rh -","- C100 H107.865 B2 F48 P4 Rh2 -","2","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0462","0.0413","","","0.1051","0.1094","","","","","","1.02","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517334","12.0444","0.0006","14.0441","0.0006","25.7109","0.0008","93.9","0.003","97.182","0.004","92.677","0.004","4298.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H71 Cl F2 O P2 Pd -","- C44 H71 Cl F2 O P2 Pd -","- C176 H284 Cl4 F8 O4 P8 Pd4 -","4","2","","Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane","Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage","ACS Catalysis","2020","","","2189","2197","10.1021/acscatal.9b05159","","x-ray","0.71073","MoKα","","0.1141","0.0716","","","0.1742","0.2236","","","","","","1.158","","","","has coordinates","257035","2020-10-21","18:00:00",""
"4517335","13.4397","0.001","18.3716","0.0012","21.7868","0.0013","81.169","0.005","89.195","0.006","73.803","0.007","5102.3","0.6","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H76.5 F4 N0.5 O3 P2 Pd -","- C53 H76.5 F4 N0.5 O3 P2 Pd -","- C212 H306 F16 N2 O12 P8 Pd4 -","4","2","","Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane","Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage","ACS Catalysis","2020","","","2189","2197","10.1021/acscatal.9b05159","","x-ray","0.71073","MoKα","","0.1513","0.0762","","","0.1712","0.2339","","","","","","1.061","","","","has coordinates,has disorder","257035","2020-10-21","18:00:00",""
"4517336","9.8179","0.0001","14.1041","0.0001","20.6209","0.0002","90","","99.978","0.001","90","","2812.24","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Ag F9 O P -","- C28 H39 Ag F9 O P -","- C112 H156 Ag4 F36 O4 P4 -","4","1","","Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides","ACS Catalysis","2020","","","2100","2107","10.1021/acscatal.9b05334","","x-ray","1.54184","CuKα","","0.0291","0.029","","","0.0727","0.0727","","","","","","1.091","","","","has coordinates,has disorder","257038","2020-10-21","18:00:00",""
"4517337","27.5364","0.0005","15.9525","0.0002","25.9141","0.0005","90","","112.975","0.002","90","","10480.4","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H172 Ag4 Br4 Cl6 P4 -","- C98 H158 Ag4 Br4 Cl6 P4 -","- C392 H632 Ag16 Br16 Cl24 P16 -","4","0.5","","Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides","ACS Catalysis","2020","","","2100","2107","10.1021/acscatal.9b05334","","x-ray","1.54184","CuKα","","0.0374","0.0332","","","0.084","0.0859","","","","","","1.055","","","","has coordinates","257038","2020-10-21","18:00:00",""
"4517338","9.051","0.006","12.257","0.005","23.016","0.004","99.247","0.003","100.894","0.002","94.83","0.004","2457","2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Keinan162b (Ofer)","","","- C53 H54 Cl2 N2 O3 P Ru -","- C53 H54 Cl2 N2 O3 P Ru -","- C106 H108 Cl4 N4 O6 P2 Ru2 -","2","1","","Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel","Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis","ACS Catalysis","2020","","","2033","2038","10.1021/acscatal.9b05079","","","0.71073","MoKα","","0.1804","0.0796","","","0.1629","0.2122","","","","","","0.908","","","","has coordinates","257052","2020-10-21","18:00:00",""
"4517339","14.3812","0.0002","16.1503","0.0002","26.0144","0.0003","90","","100.411","0.001","90","","5942.65","0.13","200","50","200","50","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H62 Cl2 N5 O9 P Ru -","- C61 H62 Cl2 N5 O9 P Ru -","- C244 H248 Cl8 N20 O36 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel","Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis","ACS Catalysis","2020","","","2033","2038","10.1021/acscatal.9b05079","","x-ray","1.54184","CuKα","","0.0452","0.0412","","","0.1144","0.1177","","","","","","1.078","","","","has coordinates,has disorder","257052","2020-10-21","18:00:00",""
"4517340","5.7494","0.0006","9.6543","0.001","10.4417","0.0011","100.704","0.002","91.306","0.002","94.062","0.002","567.68","0.1","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H22 N O7 P -","- C25 H22 N O7 P -","- C25 H22 N O7 P -","1","1","","Trost, Barry M.; Shinde, Anand H.; Wang, Youliang; Zuo, Zhijun; Min, Chang","Palladium-Catalyzed Regio-, Enantio-, and Diastereoselective Asymmetric [3 + 2] Cycloaddition Reactions: Synthesis of Chiral Cyclopentyl Phosphonates","ACS Catalysis","2020","","","1969","1975","10.1021/acscatal.9b05073","","","1.54178","CuKα","","0.0772","0.0649","","","0.1898","0.2359","","","","","","1.221","","","","has coordinates","257053","2020-10-21","18:00:00",""
"4517341","7.7692","0.0007","10.2212","0.001","11.985","0.0014","88.69","0.007","79.375","0.009","70.875","0.008","883.07","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cl Cu N3 O5 -","- C19 H12 Cl Cu N3 O5 -","- C38 H24 Cl2 Cu2 N6 O10 -","2","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0559","0.0465","","","0.1151","0.123","","","","","","1.093","","","","has coordinates","247207","2020-10-21","18:00:00",""
"4517342","9.501","0.0006","12.0141","0.0007","16.0425","0.0009","90","","104.212","0.002","90","","1775.14","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br Cl Cu N3 O5 -","- C17 H11 Br Cl Cu N3 O5 -","- C68 H44 Br4 Cl4 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0651","0.0447","","","0.0909","0.0995","","","","","","1.051","","","","has coordinates,has disorder","247208","2020-10-21","18:00:00",""
"4517343","9.0204","0.0003","12.282","0.0004","16.5426","0.0006","90","","103.404","0.003","90","","1782.81","0.11","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cl2 Cu N3 O5 -","- C17 H11 Cl2 Cu N3 O5 -","- C68 H44 Cl8 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0782","0.0744","","","0.1689","0.171","","","","","","1.188","","","","has coordinates,has disorder","247209","2020-10-21","18:00:00",""
"4517344","9.4571","0.0003","12.0889","0.0003","16.1386","0.0005","90","","104.155","0.003","90","","1789.04","0.09","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br2 Cu N3 O5 -","- C17 H11 Br2 Cu N3 O5 -","- C68 H44 Br8 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0504","0.0482","","","0.1405","0.1428","","","","","","1.082","","","","has coordinates,has disorder","247211","2020-10-21","18:00:00",""
"4517345","11.1024","0.0006","9.8747","0.0005","16.2535","0.001","90","","105.997","0.006","90","","1712.92","0.17","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl2 Cu2 N6 O10 -","- C34 H24 Cl2 Cu2 N6 O10 -","- C68 H48 Cl4 Cu4 N12 O20 -","2","0.5","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0579","0.0513","","","0.135","0.1425","","","","","","1.05","","","","has coordinates","247212","2020-10-21","18:00:00",""
"4517346","8.3749","0.0004","9.8223","0.0005","10.502","0.0005","97.603","0.002","112.314","0.002","96.478","0.002","779.56","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cu N3 O5 -","- C17 H13 Cu N3 O5 -","- C34 H26 Cu2 N6 O10 -","2","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0428","0.0319","","","0.0685","0.0735","","","","","","1.046","","","","has coordinates","247213","2020-10-21","18:00:00",""
"4517347","11.2956","0.0007","9.8232","0.0006","16.4469","0.0011","90","","105.989","0.003","90","","1754.33","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Br Cu N3 O5 -","- C17 H12 Br Cu N3 O5 -","- C68 H48 Br4 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0674","0.0435","","","0.0991","0.1145","","","","","","1.056","","","","has coordinates","247214","2020-10-21","18:00:00",""
"4517348","8.8193","0.0002","8.9176","0.0002","11.4613","0.0002","94.706","0.002","111.477","0.002","95.805","0.002","827.58","0.03","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cu N3 O5 -","- C19 H13 Cu N3 O5 -","- C38 H26 Cu2 N6 O10 -","2","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0266","0.0255","","","0.0678","0.0687","","","","","","1.061","","","","has coordinates","247215","2020-10-21","18:00:00",""
"4517349","10.8307","0.0009","13.7904","0.0012","15.3733","0.0013","107.399","0.001","96.927","0.001","108.983","0.001","2010.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H106 F12 P2 Ru2 S12 -","- C70 H106 F12 P2 Ru2 S12 -","- C70 H106 F12 P2 Ru2 S12 -","1","0.5","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.047","0.0421","","","0.1108","0.1168","","","","","","1.067","","","","has coordinates,has disorder","247216","2020-10-21","18:00:00",""
"4517350","8.0817","0.0012","9.6637","0.0014","23.803","0.003","90","","99.684","0.002","90","","1832.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F6 P Ru S3 -","- C14 H17 F6 P Ru S3 -","- C56 H68 F24 P4 Ru4 S12 -","4","1","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0264","0.0257","","","0.0645","0.0649","","","","","","1.043","","","","has coordinates","247217","2020-10-21","18:00:00",""
"4517351","8.2478","0.0008","16.2374","0.0015","15.405","0.0015","90","","99.669","0.001","90","","2033.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","trismesk","","","- C32 H40 F12 N2 P2 Ru2 S6 -","- C32 H40 F12 N2 P2 Ru2 S6 -","- C64 H80 F24 N4 P4 Ru4 S12 -","2","0.5","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0251","0.0225","","","0.0583","0.06","","","","","","1.075","","","","has coordinates","247218","2020-10-21","18:00:00",""
"4517352","21.314","0.003","14.4802","0.0019","17.724","0.002","90","","91.531","0.002","90","","5468.2","1.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","RuSC3Vert","","","- C44 H64 F12 N2 P2 Ru2 S6 -","- C44 H64 F12 N2 P2 Ru2 S6 -","- C176 H256 F48 N8 P8 Ru8 S24 -","4","1","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0698","0.0509","","","0.1193","0.131","","","","","","1.032","","","","has coordinates,has disorder","247219","2020-10-21","18:00:00",""
"4517353","21.815","0.002","40.483","0.004","10.9637","0.0011","90","","90","","90","","9682.4","1.6","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H29 F6 P Ru S3 -","- C20 H29 F6 P Ru S3 -","- C320 H464 F96 P16 Ru16 S48 -","16","4","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0227","0.0217","","","0.0543","0.0549","","","","","","1.037","","","","has coordinates","247220","2020-10-21","18:00:00",""
"4517354","5.4824","0.0002","9.0496","0.0003","21.3585","0.0008","90","","93.8688","0.0005","90","","1057.26","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 Pb Se2 -","- C22 H20 N2 Pb Se2 -","- C44 H40 N4 Pb2 Se4 -","2","1","","Vartak, Prathamesh B.; Wang, Zhongyong; Groy, Thomas L.; Trovitch, Ryan J.; Wang, Robert Y.","Solution and Solid-State Characterization of PbSe Precursors","ACS Omega","2020","","","","","10.1021/acsomega.9b03715","","","0.71073","MoKα","","0.0257","0.0245","","","0.0585","0.0592","","","","","","1.032","","","","has coordinates,has disorder","247221","2020-10-21","18:00:00",""
"4517355","18.8828","0.0003","5.7569","0.0001","9.3054","0.0001","90","","101.737","0.002","90","","990.41","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Bera, Santu; Xue, Bin; Rehak, Pavel; Jacoby, Guy; Ji, Wei; Shimon, Linda J. W.; Beck, Roy; Král, Petr; Cao, Yi; Gazit, Ehud","Self-Assembly of Aromatic Amino Acid Enantiomers into Supramolecular Materials of High Rigidity.","ACS nano","2020","","","","","10.1021/acsnano.9b07307","","","1.54184","CuKα","","0.041","0.0393","","","0.0969","0.0979","","","","","","1.042","","","","has coordinates","247222","2020-10-21","18:00:00",""
"4517356","8.7941","0.0002","6.0013","0.0001","31.0223","0.0007","90","","97.019","0.002","90","","1624.96","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","2","","Bera, Santu; Xue, Bin; Rehak, Pavel; Jacoby, Guy; Ji, Wei; Shimon, Linda J. W.; Beck, Roy; Král, Petr; Cao, Yi; Gazit, Ehud","Self-Assembly of Aromatic Amino Acid Enantiomers into Supramolecular Materials of High Rigidity.","ACS nano","2020","","","","","10.1021/acsnano.9b07307","","","1.54184","CuKα","","0.0901","0.0888","","","0.2655","0.2664","","","","","","1.104","","","","has coordinates","247223","2020-10-21","18:00:00",""
"4517358","26.885","0.005","26.637","0.005","12.468","0.003","90","","116.42","0.03","90","","7996","4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C117 H119 Cu9 N23 O47 -","- C88 H32 Cu9 N12 O42 -","- C176 H64 Cu18 N24 O84 -","2","0.25","","Meng, Lingkun; Yang, Lixia; Chen, Cailing; Dong, Xinglong; Ren, Siyuan; Li, Guang Hua; Li, Yi; Han, Yu; Shi, Zhan; Feng, Shouhua","Selective Acetylene Adsorption within an Imino Functionalized Nanocage-Based Metal-Organic Framework.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b21938","","","0.71073","MoKα","","0.0828","0.0726","","","0.1956","0.2011","","","","","","1.043","","","","has coordinates,has disorder","247261","2020-10-21","18:00:00",""
"4517359","8.269","0.0002","9.9012","0.0002","13.5986","0.0002","90","","90","","90","","1113.36","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C48 H48 Cl4 N4 O8 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0306","0.0296","","","0.0702","0.0721","","","","","","1.107","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517360","5.6803","0.0002","9.2798","0.0003","9.3092","0.0003","90","","90.739","0.003","90","","490.67","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0482","0.0438","","","0.1144","0.1183","","","","","","1.057","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517361","9.1592","0.0018","11.449","0.002","27.96","0.006","90","","90","","90","","2932","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 I N O5 P -","- C30 H35 I N O5 P -","- C120 H140 I4 N4 O20 P4 -","4","1","","Yang, Guo-Hui; Zheng, Hanliang; Li, Xin; Cheng, Jin-Pei","Asymmetric Synthesis of Axially Chiral Phosphamides via Atroposelective N-Allylic Alkylation","ACS Catalysis","2020","","","2324","2333","10.1021/acscatal.9b05443","","","0.71073","MoKα","","0.0333","0.0293","","","0.0614","0.078","","","","","","1.057","","","","has coordinates","257046","2020-10-21","18:00:00",""
"4517362","6.9049","0.0006","17.9673","0.0013","10.1305","0.0007","90","","106.637","0.009","90","","1204.2","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C54 H58 N6 O10 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0455","0.0423","","","0.1229","0.1275","","","","","","0.971","","","","has coordinates","247379","2020-10-21","18:00:00",""
"4517363","13.2844","0.0009","9.4272","0.0006","36.075","0.002","90","","93.302","0.004","90","","4510.3","0.5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","1.54178","CuKα","","0.1735","0.1315","","","0.3302","0.3497","","","","","","1.1","","","","has coordinates","247380","2020-10-21","18:00:00",""
"4517364","6.9113","0.0003","18.1972","0.0008","10.137","0.0004","90","","105.648","0.005","90","","1227.64","0.09","298","4","298","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C54 H58 N6 O8 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0534","0.047","","","0.1506","0.1574","","","","","","1.088","","","","has coordinates","247381","2020-10-21","18:00:00",""
"4517365","10.9997","0.0001","10.5162","0.0001","14.1245","0.0001","90","","106.586","0.001","90","","1565.87","0.02","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H36 Fe N O P S -","- C37 H36 Fe N O P S -","- C74 H72 Fe2 N2 O2 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0452","0.0441","","","0.115","0.1157","","","","","","1.058","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517366","9.5052","0.0001","11.4481","0.0001","11.0312","0.0001","90","","93.722","0.001","90","","1197.84","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H23 O P -","- C32 H23 O P -","- C64 H46 O2 P2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0971","0.0974","","","","","","1.053","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517367","10.3729","0.0003","11.5112","0.0002","15.6134","0.0003","90","","106.888","0.002","90","","1783.91","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1537","0.1546","","","","","","1.049","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517368","13.5499","0.0005","15.2341","0.0005","24.4346","0.0009","90","","90","","90","","5043.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F3 N O6 S -","- C27 H24 F3 N O6 S -","- C216 H192 F24 N8 O48 S8 -","8","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0527","","","","0.127","","","","","","1.032","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517369","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517370","9.4313","0.0003","11.4154","0.0004","13.8509","0.0004","84.332","0.006","74.645","0.006","85.308","0.006","1428.55","0.09","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F4 N O6 S -","- C29 H29 F4 N O6 S -","- C58 H58 F8 N2 O12 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0484","","","","0.1277","","","","","","1.035","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517371","12.177","0.003","18.604","0.004","20.729","0.005","111.648","0.003","101.917","0.003","95.562","0.003","4192.6","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89.83 Co Ga N7 O0 P5 -","- C75 H90 Co Ga N7 P5 -","- C150 H180 Co2 Ga2 N14 P10 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.0531","0.0353","","","0.0876","0.0943","","","","","","1.036","","","","has coordinates,has disorder","257032","2020-10-21","18:00:00",""
"4517372","12.2163","0.0015","18.704","0.003","20.45","0.004","112.181","0.007","100.878","0.009","95.913","0.008","4170.4","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","16259_[InCo(N2)]PPN","","","- C79 H98 Co In N7 O P5 -","- C79 H98 Co In N7 O P5 -","- C158 H196 Co2 In2 N14 O2 P10 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.0572","0.0359","","","0.0905","0.1052","","","","","","1.05","","","","has coordinates","257032","2020-10-21","18:00:00",""
"4517373","12.329","0.006","27.522","0.013","12.652","0.007","90","","105.97","0.02","90","","4127","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","19092_AlCoH","","","- C42 H64 Al Co N4 P3 -","- C42 H64 Al Co N4 P3 -","- C168 H256 Al4 Co4 N16 P12 -","4","2","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.101","0.0551","","","0.0961","0.1101","","","","","","1.02","","","","has coordinates","257032","2020-10-21","18:00:00",""
"4517374","12.4071","0.0013","19.343","0.002","19.588","0.002","110.472","0.004","97.544","0.004","101.928","0.003","4201.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","18200_GaCoH","","","- C82 H132 Co2 Ga2 N8 O P6 -","- C82 H132 Co2 Ga2 N8 O P6 -","- C164 H264 Co4 Ga4 N16 O2 P12 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.1088","0.0741","","","0.1561","0.1723","","","","","","1.085","","","","has coordinates,has disorder","257032","2020-10-21","18:00:00",""
"4517375","15.6109","0.0018","15.6109","0.0018","15.6109","0.0018","90","","90","","90","","3804.4","0.8","200","","200","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.313 Mg -","- B2 H8 Kr0.312667 Mg -","- B48 H192 Kr7.504 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","12.7055","8.2593","","","","","","","has coordinates","247466","2020-10-21","18:00:00",""
"4517376","15.72748","0.00011","15.72748","0.00011","15.72748","0.00011","90","","90","","90","","3890.25","0.05","114","","114","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.635 Mg -","- B2 H8 Kr0.635333 Mg -","- B48 H192 Kr15.248 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.78487","synchrotron","","","","","","","","","3.7636","9.2248","","","","","","","has coordinates","247467","2020-10-21","18:00:00",""
"4517377","15.562","0.002","15.562","0.002","15.562","0.002","90","","90","","90","","3768.7","0.8","115","","115","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.557 Mg -","- B2 H8 Kr0.557333 Mg -","- B48 H192 Kr13.376 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","10.4314","10.6542","","","","","","","has coordinates","247468","2020-10-21","18:00:00",""
"4517378","15.7621","0.0002","15.7621","0.0002","15.7621","0.0002","90","","90","","90","","3916","0.09","200","","200","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.4 Mg -","- B2 H8 Kr0.4044 Mg -","- B48 H192 Kr9.7056 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","7.5697","8.2594","","","","","","","has coordinates","247469","2020-10-21","18:00:00",""
"4517379","15.7779","0.0003","15.7779","0.0003","15.7779","0.0003","90","","90","","90","","3927.78","0.13","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.008 Mg -","- B2 H8 Kr0.00826667 Mg -","- B48 H192 Kr0.1984 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","3.205","8.7133","","","","","","","has coordinates","247470","2020-10-21","18:00:00",""
"4517380","15.6782","0.0013","15.6782","0.0013","15.6782","0.0013","90","","90","","90","","3853.8","0.6","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.02 Mg -","- B2 H8 Kr0.02 Mg -","- B48 H192 Kr0.48 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","","synchrotron","","","","","","","","","4.177","8.2593","","","","","","","has coordinates","247471","2020-10-21","18:00:00",""
"4517381","24.7458","","5.635","","7.0259","","90","","90.501","","90","","979.672","","293","","293","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","a aluminum based metal organic framework","1np","","- C24 Al2 N4 O12 -","- C24 Al2 N4 O12 -","- C48 Al4 N8 O24 -","2","0.25","","Liang, Jie; Li, Xiaohang; Xi, Rubing; Shan, Guangcun; Li, Pei-Zhou; Liu, Jia; Zhao, Yanli; Zou, Ruqiang","A Robust Aluminum Metal-Organic Framework with Temperature-Induced Breathing Effect","ACS Materials Letters","2020","","","220","","10.1021/acsmaterialslett.9b00399","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.24","3.862","","","","","","","has coordinates","247473","2020-10-21","18:00:00",""
"4517382","13.3534","0.0002","19.2873","0.0003","14.681","0.0002","90","","94.714","0.002","90","","3768.32","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 F3 O Si -","- C20 H23 F3 O Si -","- C160 H184 F24 O8 Si8 -","8","2","","Iwamoto, Hiroaki; Hayashi, Yuta; Ozawa, Yu; Ito, Hajime","Silyl-Group-Directed Linear-Selective Allylation of Carbonyl Compounds with Trisubstituted Allylboronates Using a Copper(I) Catalyst","ACS Catalysis","2020","","","2471","","10.1021/acscatal.9b05408","","x-ray","1.54184","CuKα","","0.0552","0.0516","","","0.1733","0.1793","","","","","","1.114","","","","has coordinates","247843","2020-10-21","18:00:00",""
"4517383","9.6286","0.0003","10.7523","0.0003","25.4679","0.0008","90","","90","","90","","2636.68","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Br2 O4 -","- C31 H26 Br2 O4 -","- C124 H104 Br8 O16 -","4","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0455","0.0321","","","0.0562","0.0613","","","","","","1.047","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517384","7.712","0.002","10.915","0.003","12.298","0.003","114.959","0.006","99.228","0.006","100.157","0.007","891.3","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C48 H40 O6 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0868","0.0541","","","0.1265","0.1469","","","","","","0.992","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517385","8.89","0.0004","21.1643","0.0011","11.0358","0.0005","90","","104.694","0.002","90","","2008.48","0.17","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H42 O2 P2 -","- C53 H42 O2 P2 -","- C106 H84 O4 P4 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0643","0.0458","","","0.0891","0.1004","","","","","","1.036","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517386","15.3961","0.0005","13.602","0.0004","16.0574","0.0004","90","","90","","90","","3362.7","0.17","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N6 O3 S -","- C14 H18 N6 O3 S -","- C112 H144 N48 O24 S8 -","8","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.0678","0.0489","","","0.14","0.1538","","","","","","1.027","","","","has coordinates","248692","2020-10-21","18:00:00",""
"4517387","8.1536","0.0004","8.732","0.0006","9.8349","0.0005","89.139","0.005","81.378","0.004","68.29","0.006","642.57","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N6 O2 S -","- C9 H14 N6 O2 S -","- C18 H28 N12 O4 S2 -","2","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.086","0.0659","","","0.1718","0.196","","","","","","1.127","","","","has coordinates","248692","2020-10-21","18:00:00",""
"4517388","9.1165","0.0008","10.8798","0.0013","13.0957","0.0015","73.946","0.01","88.38","0.008","77.43","0.009","1217.6","0.2","181","13","181","13","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 B Br2 -","- C27 H29 B Br2 -","- C54 H58 B2 Br4 -","2","1","","Ru, Chenglong; Wei, Qiuyu; Chen, Wenhao; Guan, Qiye; Zhang, Qianqian; Ling, Yuan; Tao, Chunlan; Qin, Dongdong; Wu, Jincai; Pan, Xiaobo","Tunable Conjugated Organoborane Oligomers for Visible-Light-Driven Hydrogen Evolution","ACS Energy Letters","2020","5","2","669","675","10.1021/acsenergylett.0c00075","","","0.71073","MoKα","","0.063","0.0415","","","0.0785","0.0871","","","","","","1.027","","","","has coordinates","257081","2020-10-21","18:00:00",""
"4517389","26.451","0.007","7.875","0.002","13.315","0.004","90","","94.256","0.006","90","","2765.9","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C128 H112 N32 O8 -","8","1","","Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi","Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation","ACS Catalysis","2020","","","2627","","10.1021/acscatal.9b04491","","","0.71075","MoKα","","0.0504","0.0342","","","0.0802","0.084","","","","","","0.936","","","","has coordinates","247951","2020-10-21","18:00:00",""
"4517390","12.465","0.009","11.018","0.007","22.209","0.015","90","","92.386","0.014","90","","3048","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C128 H120 Cl8 N32 O8 -","8","1","","Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi","Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation","ACS Catalysis","2020","","","2627","","10.1021/acscatal.9b04491","","","0.71075","MoKα","","0.0525","0.0446","","","0.1074","0.1089","","","","","","0.91","","","","has coordinates","247952","2020-10-21","18:00:00",""
"4517391","6.62","0.0003","7.8565","0.0005","17.0496","0.0007","83.308","0.004","86.928","0.004","73.022","0.005","842.15","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Br Mn N2 O3 S -","- C15 H14 Br Mn N2 O3 S -","- C30 H28 Br2 Mn2 N4 O6 S2 -","2","1","","Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab","A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols","ACS Catalysis","2020","","","2615","","10.1021/acscatal.9b05567","","x-ray","1.54184","CuKα","","0.0464","0.0368","","","0.0886","0.0943","","","","","","0.98","","","","has coordinates","247953","2020-10-21","18:00:00",""
"4517392","7.5394","0.0003","9.7257","0.0004","11.6722","0.0005","108.97","0.004","99.234","0.003","101.738","0.003","768.37","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 Br Mn N2 O3 S -","- C14 H12 Br Mn N2 O3 S -","- C28 H24 Br2 Mn2 N4 O6 S2 -","2","1","","Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab","A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols","ACS Catalysis","2020","","","2615","","10.1021/acscatal.9b05567","","x-ray","1.54184","CuKα","","0.054","0.0536","","","0.1396","0.14","","","","","","1.063","","","","has coordinates","247954","2020-10-21","18:00:00",""
"4517393","18.6751","0.0008","11.9733","0.0005","21.1751","0.0015","90","","90","","90","","4734.8","0.4","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H22 I N6 O3 Zn -","- C15 H22 I N6 O3 Zn -","- C120 H176 I8 N48 O24 Zn8 -","8","1","","Chen, Yu; Orr, Asuka A.; Tao, Kai; Wang, Zhibin; Ruggiero, Antonella; Shimon, Linda J. W.; Schnaider, Lee; Goodall, Alicia; Rencus-Lazar, Sigal; Gilead, Sharon; Slutsky, Inna; Tamamis, Phanourios; Tan, Zhan'ao; Gazit, Ehud","High-Efficiency Fluorescence through Bioinspired Supramolecular Self-Assembly.","ACS nano","2020","","","","","10.1021/acsnano.9b10024","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","247981","2020-10-21","18:00:00",""
"4517394","14.1788","0.0011","8.3217","0.0006","17.7545","0.0016","90","","107.843","0.003","90","","1994.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","2","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.1504","0.07","","","0.1124","0.1414","","","","","","1.05","","","","has coordinates","247994","2020-10-21","18:00:00",""
"4517395","10.9657","0.0008","14.7551","0.0012","16.165","0.0012","102.59","0.0017","97.3713","0.0016","101.976","0.002","2455.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","1","1","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.08","0.0611","","","0.1464","0.1567","","","","","","1.063","","","","has coordinates,has disorder","247995","2020-10-21","18:00:00",""
"4517396","13.6251","0.0006","15.5532","0.0006","15.146","0.0006","90","","98.224","0.001","90","","3176.6","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H18 F3 N O9 P2 S -","- C37 H18 F3 N O9 P2 S -","- C148 H72 F12 N4 O36 P8 S4 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0408","0.0395","","","0.1016","0.103","","","","","","1.082","","","","has coordinates,has Fobs","248030","2020-10-21","18:00:00",""
"4517397","13.0119","0.0004","15.621","0.0005","14.9019","0.0005","90","","97.364","0.002","90","","3003.96","0.17","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 B F4 N O6 P2 -","- C36 H18 B F4 N O6 P2 -","- C144 H72 B4 F16 N4 O24 P8 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0785","0.059","","","0.1457","0.1571","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","248031","2020-10-21","18:00:00",""
"4517398","15.9625","0.0005","16.9936","0.0005","25.4614","0.0008","90","","97.837","0.002","90","","6842.2","0.4","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H84 Ag4 Br8 Cl2 N4 O25 P8 -","- C156 H84 Ag4 Br8 Cl2 N4 O25 P8 -","- C312 H168 Ag8 Br16 Cl4 N8 O50 P16 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0796","0.0638","","","0.1701","0.1867","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","248032","2020-10-21","18:00:00",""
"4517399","13.8832","0.0006","35.9157","0.0017","14.1516","0.0006","90","","119.08","0.002","90","","6166.8","0.5","150","","150","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C104 H22 Ag7 F24 N O32 P2 S8 -","- C104 H22 Ag7 F24 N O32 P2 S8 -","- C208 H44 Ag14 F48 N2 O64 P4 S16 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0723","0.0624","","","0.168","0.1747","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","248033","2020-10-21","18:00:00",""
"4517400","21.7542","0.0011","21.1692","0.0011","14.5338","0.0008","90","","97.072","0.003","90","","6642.2","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H18 I N O6 P2 -","- C36 H18 I N O6 P2 -","- C288 H144 I8 N8 O48 P16 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.54178","CuKα","","0.0552","0.0508","","","0.13","0.134","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","248036","2020-10-21","18:00:00",""
"4517401","12.9613","0.0007","10.7014","0.0004","13.1802","0.0006","90","","113.51","0.006","90","","1676.39","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H27 N O4 Pt S -","- C34 H27 N O4 Pt S -","- C68 H54 N2 O8 Pt2 S2 -","2","1","","Jiang, Zhiyong; Wang, Jun; Gao, Tingting; Ma, Jianping; Chen, Runfeng; Liu, Zhipeng","Rational Design of Axially Chiral Platinabinaphthalenes with Aggregation-Induced Emission for Red Circularly Polarized Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20568","","x-ray","1.54184","CuKα","","0.0592","0.0505","","","0.1068","0.1147","","","","","","0.985","","","","has coordinates","248037","2020-10-21","18:00:00",""
"4517402","10.232","0.002","23.201","0.004","13.408","0.002","90","","90.275","0.007","90","","3182.9","1","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H27 N O4 Pt S -","- C34 H27 N O4 Pt S -","- C136 H108 N4 O16 Pt4 S4 -","4","2","","Jiang, Zhiyong; Wang, Jun; Gao, Tingting; Ma, Jianping; Chen, Runfeng; Liu, Zhipeng","Rational Design of Axially Chiral Platinabinaphthalenes with Aggregation-Induced Emission for Red Circularly Polarized Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20568","","","0.71073","MoKα","","0.0366","0.0317","","","0.0666","0.0686","","","","","","0.95","","","","has coordinates","248038","2020-10-21","18:00:00",""
"4517403","13.7293","0.0004","11.363","0.0004","12.5175","0.0004","90","","95.847","0.003","90","","1942.65","0.11","119.99","0.1","119.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 O7 U0.5 -","- C6 H6 Cl2 O7 U0.5 -","- C48 H48 Cl16 O56 U4 -","8","1","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0201","0.0183","","","0.0435","0.0442","","","","","","1.041","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517404","13.8598","0.0007","11.496","0.0006","12.61","0.0006","90","","96.415","0.005","90","","1996.6","0.17","285","13","285","13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 O14 U -","- C12 H12 Cl4 O14 U -","- C48 H48 Cl16 O56 U4 -","4","0.5","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0221","0.02","","","0.0434","0.0445","","","","","","1.056","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517405","9.529","0.002","10.567","0.003","20.407","0.005","87.353","0.007","86.97","0.007","63.261","0.005","1832","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","Cs<sub>2</sub>CO<sub>3</sub>-Mediated Rapid Room-Temperature Synthesis of 3-Amino-2-aroyl Benzofurans and Their Copper-Catalyzed <i>N</i>-Arylation Reactions.","ACS omega","2020","5","7","3646","3660","10.1021/acsomega.9b04169","","","0.71073","MoKα","","0.126","0.092","","","0.2239","0.2417","","","","","","1.111","","","","has coordinates","248697","2020-10-21","18:00:00",""
"4517406","33.014","0.004","33.014","0.004","22.911","0.003","90","","90","","90","","24971","5","195","","195","","","","0","","","","synthetic","4","P 4/m m m","-P 4 2","123","desolvated pcn12","desolvated pcn12","none","- C17 H8 Cu2 O8 -","- C17 H8 Cu2 O8 -","- C408 H192 Cu48 O192 -","24","1.5","","Elsaidi, Sameh K.; Ongari, Daniele; Mohamed, Mona H.; Xu, Wenqian; Motkuri, Radha Kishan; Haranczyk, Maciej; Thallapally, Praveen K.","Metal Organic Frameworks for Xenon Storage Applications","ACS Materials Letters","2020","2","3","233","238","10.1021/acsmaterialslett.9b00468","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.0528","","6.33","","","","","","","has coordinates","257089","2020-10-21","18:00:00",""
"4517407","7.9413","0.0013","7.9555","0.0013","8.0755","0.0013","81.685","0.006","63.54","0.005","72.764","0.005","436.18","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","1","1","","Chiou, Wen-Hua; Hsu, Kuo-Hsun; Huang, Wen-Wei","Rh-Catalyzed Hydroformylation-Initiated Bicyclization: Construction of Azabicyclic Systems.","ACS omega","2020","5","7","3717","3724","10.1021/acsomega.9b04400","","x-ray","0.71073","MoKα","","0.074","0.056","","","0.117","0.1313","","","","","","0.946","","","","has coordinates","248696","2020-10-21","18:00:00",""
"4517408","11.0203","0.0007","11.5372","0.0007","12.58","0.0008","65.952","0.001","72.572","0.002","88.782","0.002","1384.23","0.15","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N Nd O11 -","- C30 H24 N Nd O11 -","- C60 H48 N2 Nd2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0278","0.0239","","","0.0638","0.0739","","","","","","1.129","","","","has coordinates,has disorder","248124","2020-10-21","18:00:00",""
"4517409","10.9384","0.0008","11.4632","0.0008","12.4861","0.0009","66.001","0.002","72.607","0.002","88.79","0.002","1355.79","0.17","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N O11 Sm -","- C30 H24 N O11 Sm -","- C60 H48 N2 O22 Sm2 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.039","0.0364","","","0.0934","0.1001","","","","","","1.122","","","","has coordinates,has disorder","248124","2020-10-21","18:00:00",""
"4517410","10.981","0.003","11.518","0.003","12.583","0.003","65.786","0.003","72.419","0.002","88.675","0.003","1374.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Eu N O11 -","- C30 H24 Eu N O11 -","- C60 H48 Eu2 N2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0851","0.054","","","0.1056","0.1434","","","","","","1.016","","","","has coordinates","248124","2020-10-21","18:00:00",""
"4517411","10.9796","0.001","11.521","0.001","12.5993","0.0011","65.73","0.001","72.371","0.001","88.632","0.001","1375.4","0.2","293","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Gd N O11 -","- C30 H24 Gd N O11 -","- C60 H48 Gd2 N2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0229","0.0197","","","0.053","0.0628","","","","","","1.175","","","","has coordinates,has disorder","248124","2020-10-21","18:00:00",""
"4517412","10.9653","0.0013","11.5047","0.0014","12.6011","0.0015","65.644","0.001","72.303","0.001","88.582","0.001","1370.3","0.3","293","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N O11 Tb -","- C30 H24 N O11 Tb -","- C60 H48 N2 O22 Tb2 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0286","0.0255","","","0.0611","0.0632","","","","","","1.099","","","","has coordinates","248124","2020-10-21","18:00:00",""
"4517413","10.893","0.003","11.439","0.003","12.52","0.003","65.768","0.006","72.267","0.006","88.55","0.006","1346","0.6","293","2","293.01","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Dy N O11 -","- C30 H24 Dy N O11 -","- C60 H48 Dy2 N2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0573","0.0429","","","0.0936","0.1047","","","","","","1.061","","","","has coordinates","248124","2020-10-21","18:00:00",""
"4517414","7.8574","0.0004","19.2849","0.0009","9.9755","0.0005","90","","102.355","0.001","90","","1476.57","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O14 Zn -","- C26 H28 N6 O14 Zn -","- C52 H56 N12 O28 Zn2 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0311","0.0256","","","0.0503","0.0528","","","","","","1.025","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517415","5.9866","0.0007","8.7293","0.001","22.354","0.003","96.624","0.003","90.797","0.004","90.264","0.003","1160.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N4 O12 Zn -","- C20 H20 N4 O12 Zn -","- C40 H40 N8 O24 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0623","0.0544","","","0.1793","0.1902","","","","","","1.012","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517416","20.1428","0.0011","6.2816","0.0003","25.1031","0.0013","90","","104.399","0.005","90","","3076.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O12 Zn -","- C28 H28 N6 O12 Zn -","- C112 H112 N24 O48 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0552","0.0406","","","0.0788","0.0861","","","","","","1.038","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517417","22.0343","0.0008","13.6328","0.0005","15.1548","0.0006","90","","100.715","0.001","90","","4473","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N8 O20 Zn2 -","- C42 H36 N8 O20 Zn2 -","- C168 H144 N32 O80 Zn8 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0469","0.0318","","","0.0877","0.0979","","","","","","1.04","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517418","8.0671","0.0006","12.718","0.002","14.3069","0.0018","81.172","0.013","76.06","0.009","74.624","0.012","1367.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N6 O11 Zn -","- C26 H22 N6 O11 Zn -","- C52 H44 N12 O22 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0755","0.0523","","","0.0992","0.1178","","","","","","1.007","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517419","7.5177","0.0004","7.727","0.0004","11.325","0.0006","72.545","0.003","77.25","0.004","63.092","0.003","556.83","0.05","295","2","295","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H4 F14 S2 -","- C26 H4 F14 S2 -","- C26 H4 F14 S2 -","1","0.5","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.049","0.0404","","","0.1049","0.1092","","","","","","1","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517420","43.582","0.001","5.8661","0.0001","7.7244","0.0002","90","","90","","90","","1974.79","0.08","295","2","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H14 F4 S2 -","- C26 H14 F4 S2 -","- C104 H56 F16 S8 -","4","1","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.0439","0.0369","","","0.0894","0.0916","","","","","","0.934","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517421","7.342","0.001","25.736","0.005","11.628","0.004","90","","96.3","0.01","90","","2183.9","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H8 F10 S2 -","- C26 H8 F10 S2 -","- C104 H32 F40 S8 -","4","1","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.102","0.0491","","","0.1048","0.1356","","","","","","0.91","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517422","15.631","0.0004","9.89045","0.00019","15.9579","0.0004","90","","113.655","0.003","90","","2259.77","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 F O6 -","- C26 H25 F O6 -","- C104 H100 F4 O24 -","4","1","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","1.54184","CuKα","","0.0435","0.0387","","","0.0995","0.1026","","","","","","1.057","","","","has coordinates,has disorder","257014","2020-10-21","18:00:00",""
"4517423","8.4862","0.0004","11.6076","0.0005","21.8095","0.0008","81.344","0.003","79.625","0.003","70.309","0.004","1980.25","0.15","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","2","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","0.71073","MoKα","","0.0603","0.0433","","","0.1089","0.1164","","","","","","1.055","","","","has coordinates","257014","2020-10-21","18:00:00",""
"4517424","10.4234","0.0001","6.0234","0.0001","15.0661","0.0001","90","","90.369","0.001","90","","945.895","0.019","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","1.54184","CuKα","","0.0325","0.0321","","","0.0838","0.0841","","","","","","1.0697","","","","has coordinates","257014","2020-10-21","18:00:00",""
"4517425","7.97537","0.00005","7.97537","0.00005","34.7796","0.0003","90","","90","","90","","2212.21","0.03","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0272","0.0271","","","0.0699","0.07","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517426","7.97639","0.00005","7.97639","0.00005","34.7863","0.0003","90","","90","","90","","2213.2","0.03","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0268","0.0265","","","0.0663","0.0665","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517427","8.6719","0.0007","15.1388","0.0012","9.5746","0.0007","90","","116.469","0.004","90","","1125.21","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jr001","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","0.71073","MoKα","","0.0503","0.043","","","0.111","0.1165","","","","","","1.081","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517428","14.853","0.002","18.958","0.002","22.386","0.003","105.048","0.006","92.216","0.012","95.751","0.012","6043","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H64 F45 P5 Ru2 -","- C105 H64 F45 P5 Ru2 -","- C210 H128 F90 P10 Ru4 -","2","1","","Estes, Deven P.; Leutzsch, Markus; Schubert, Lukas; Bordet, Alexis; Leitner, Walter","Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid Using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study","ACS Catalysis","2020","","","2990","2998","10.1021/acscatal.0c00404","","","0.71073","MoKα","","0.0566","0.0454","","","0.1163","0.1246","","","","","","1.053","","","","has coordinates,has disorder","257015","2020-10-21","18:00:00",""
"4517429","5.166","","13.624","","24.035","","90","","95.88","","90","","1682.72","","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N O -","- C20 H17 Br N O -","- C80 H68 Br4 N4 O4 -","4","2","","Lemay, Jean-Christian; Dong, Yi; Albert, Vincent; Inouye, Monica; Groves, Michael N.; Boukouvalas, John; McBreen, Peter H.","Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group","ACS Catalysis","2020","","","3034","3041","10.1021/acscatal.9b04682","","","0.71073","MoKα","","0.0614","0.0478","","","0.1178","0.1277","","","","","","1.039","","","","has coordinates","257039","2020-10-21","18:00:00",""
"4517430","9.6783","0.0009","23.209","0.002","14.9411","0.0014","90","","95.11","0.003","90","","3342.8","0.5","297","","297.04","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H30 N2 O -","- C49 H30 N2 O -","- C196 H120 N8 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Liu, Yi-Ran; Hu, Xiao; Zhang, He; Yu, Yang; Wei, Ying; Xie, Ling-Hai; Huang, Wei","The Dimensionality Transition between Three-Dimensional and Two-Dimensional Organic Microcrystals: Specific Symmetry and Selective Adhesion.","ACS omega","2020","5","7","3749","3754","10.1021/acsomega.9b03962","","x-ray","0.71073","MoKα","","0.1708","0.0622","","","0.1135","0.1471","","","","","","0.983","","","","has coordinates","248693","2020-10-21","18:00:00",""
"4517431","12.4934","0.0003","24.7612","0.0006","13.0442","0.0003","90","","95.7511","0.0013","90","","4014.93","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl F3 N7 O3 S Zn -","- C37 H51 Cl F3 N7 O3 S Zn -","- C148 H204 Cl4 F12 N28 O12 S4 Zn4 -","4","1","","Drummond, Michael J.; Miller, Tabitha J.; Ford, Courtney L.; Fout, Alison R.","Catalytic Perchlorate Reduction Using Iron: Mechanistic Insights and Improved Catalyst Turnover","ACS Catalysis","2020","","","3175","3182","10.1021/acscatal.9b05029","","","0.71073","MoKα","","0.0684","0.0434","","","0.0821","0.0917","","","","","","1.034","","","","has coordinates,has disorder","257016","2020-10-21","18:00:00",""
"4517432","13.7445","0.0011","17.581","0.0012","7.2542","0.0006","90","","101.283","0.008","90","","1719","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 O4 -","- C18 H14 F4 O4 -","- C72 H56 F16 O16 -","4","1","","Liu, Guangyuan; Zhang, Xingxing; Kuang, Guanghua; Lu, Naihao; Fu, Yang; Peng, Yiyuan; Xiao, Qiang; Zhou, Yirong","Phosphine-Free Ru-Catalyzed Regio- and Stereoselective Addition of Benzoic Acids to Trifluoromethylated Alkynes toward Facile Access to Trifluoromethyl Group-Substituted (E)-Enol Esters","ACS Omega","2020","5","8","4158","4166","10.1021/acsomega.9b03936","","x-ray","0.71073","MoKα","","0.0951","0.0571","","","0.1151","0.1334","","","","","","1.032","","","","has coordinates","257066","2020-10-21","18:00:00",""
"4517433","9.7229","0.0001","9.7229","0.0001","58.2467","0.0008","90","","90","","120","","4768.63","0.1","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- K2 Mo15 Se19 -","- K2 Mo15 Se19 -","- K12 Mo90 Se114 -","6","0.166667","","Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Merdrignac-Conanec, Odile; Al Rahal Al Orabi, Rabih; Gautier, Régis; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand","Unravelling the Beneficial Influence of Ag insertion on the Thermoelectric Properties of the Cluster Compound K2Mo15Se19","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.9b02488","","","0.71069","MoKα","","0.0662","0.031","","","0.052","0.0588","","","","","","1.058","","","","has coordinates","248371","2020-10-21","18:00:00",""
"4517434","9.9615","0.0001","9.9615","0.0001","57.5198","0.0009","90","","90","","120","","4943.08","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag2.19 K2 Mo15 Se19 -","- Ag2.2182 K2 Mo15 Se19 -","- Ag13.3092 K12 Mo90 Se114 -","6","0.166667","","Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Merdrignac-Conanec, Odile; Al Rahal Al Orabi, Rabih; Gautier, Régis; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand","Unravelling the Beneficial Influence of Ag insertion on the Thermoelectric Properties of the Cluster Compound K2Mo15Se19","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.9b02488","","","0.71069","MoKα","","0.0551","0.0296","","","0.0485","0.0549","","","","","","1.14","","","","has coordinates","248372","2020-10-21","18:00:00",""
"4517435","18.4403","0.0012","25.068","0.0017","25.5947","0.0017","90","","90","","90","","11831.4","1.4","110.15","","110.15","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C376 H352 B4 Br8 Co4 F96 N24 O32 S8 -","4","1","","Kabes, Connor Q.; Maximuck, William J.; Ghosh, Subrata K.; Kumar, Anil; Bhuvanesh, Nattamai; Gladysz, John A.","Chiral Tricationic Tris(1,2-diphenylethylenediamine) Cobalt(III) Hydrogen Bond Donor Catalysts with Defined Carbon/Metal Configurations; Matched/Mismatched Effects upon Enantioselectivities with Enantiomeric Chiral Counter Anions","ACS Catalysis","2020","","","3249","3263","10.1021/acscatal.9b05496","","","0.8857","","","0.0777","0.0572","","","0.1477","0.1593","","","","","","1.016","","","","has coordinates","257022","2020-10-21","18:00:00",""
"4517436","6.2697","0.0003","10.8812","0.0005","27.9823","0.0013","90","","90","","90","","1909","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 B F3 N O4 -","- C18 H23 B F3 N O4 -","- C72 H92 B4 F12 N4 O16 -","4","1","","Fan, Dongyang; Zhang, Jian; Hu, Yanhua; Zhang, Zhenfeng; Gridnev, Ilya D.; Zhang, Wanbin","Asymmetric Hydrogenation of α-Boryl Enamides Enabled by Nonbonding Interactions","ACS Catalysis","2020","","","3232","3240","10.1021/acscatal.9b04543","","","1.54178","CuKα","","0.0457","0.0432","","","0.1148","0.118","","","","","","1.029","","","","has coordinates","257023","2020-10-21","18:00:00",""
"4517437","8.3309","0.0019","6.6556","0.0018","10.916","0.003","90","","96.337","0.008","90","","601.6","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C28 H30 N2 O2 S2 -","2","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Welin, Eric R.; Daiger, Martin T.; Grünanger, Christian U.; Bartberger, Michael D.; Virgil, Scott C.; Stoltz, Brian M.","Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of 1,3-Disubstituted Isoquinolines","ACS Catalysis","2020","","","3241","3248","10.1021/acscatal.0c00211","","","0.71073","MoKα","","0.0484","0.0383","","","0.0909","0.096","","","","","","1.058","","","","has coordinates,has disorder","257024","2020-10-21","18:00:00",""
"4517438","7.0246","0.0004","17.2258","0.0011","27.7","0.002","90","","95.667","0.004","90","","3335.4","0.4","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H48 N2 S -","- C36 H48 N2 S -","- C144 H192 N8 S4 -","4","2","","Echeverri, Marcelo; Ruiz, Constanza; Gámez-Valenzuela, Sergio; Alonso-Navarro, Matias; Gutierrez-Puebla, Enrique; Serrano, José L; Ruiz Delgado, M. Carmen; Gómez-Lor, Berta","Stimuli-Responsive Benzothiadiazole Derivative as a Dopant for Rewritable Polymer Blends.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b21209","","x-ray","1.54178","CuKα","","0.1696","0.1002","","","0.2558","0.3358","","","","","","1.037","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4517439","11.3197","0.0003","15.6008","0.0004","16.353","0.0005","90","","102.492","0.0014","90","","2819.51","0.14","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C152 H112 O24 -","8","2","","Rajesh, U. Chinna; Losovyj, Yaroslav; Chen, Chun-Hsing; Zaleski, Jeffrey M.","Designing Synergistic Nanocatalysts for Multiple Substrate Activation: Interlattice Ag‒Fe3O4 Hybrid Materials for CO2-Inserted Lactones","ACS Catalysis","2020","","","3349","3359","10.1021/acscatal.9b04260","","","0.71073","MoKα","","0.0667","0.0437","","0.11","0.0971","0.1099","","","","","","0.9862","","","","has coordinates","257030","2020-10-21","18:00:00",""
"4517440","15.2434","0.0007","7.8592","0.0002","15.5165","0.0009","90","","105.045","0.005","90","","1795.17","0.15","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H43 N3 O9 -","- C31.0006 H43.0015 N3 O9 -","- C62.0012 H86.003 N6 O18 -","2","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.1318","0.091","","","0.2251","0.2609","","","","","","1.048","","","","has coordinates,has disorder","248416","2020-10-21","18:00:00",""
"4517441","8.1886","0.0002","18.757","0.0003","20.4466","0.0004","90","","90","","90","","3140.47","0.11","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.041","0.0365","","","0.0941","0.0968","","","","","","1.037","","","","has coordinates","248417","2020-10-21","18:00:00",""
"4517442","12.5726","0.0004","7.5849","0.0002","16.0036","0.0004","90","","99.298","0.003","90","","1506.08","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C58 H80 N4 O20 -","2","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0651","0.0596","","","0.1511","0.1558","","","","","","1.064","","","","has coordinates","248418","2020-10-21","18:00:00",""
"4517443","16.1463","0.0003","7.8473","0.0001","30.1019","0.0005","90","","103.866","0.002","90","","3702.91","0.11","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","2","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0383","0.0372","","","0.1054","0.1064","","","","","","1.056","","","","has coordinates,has disorder","248419","2020-10-21","18:00:00",""
"4517444","20.7812","0.001","16.1138","0.0007","36.3151","0.0016","90","","103.015","0.002","90","","11848.2","0.9","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H36 N4 O16 S2 Zn2 -","- C53 H36 N4 O16 S2 Zn2 -","- C424 H288 N32 O128 S16 Zn16 -","8","1","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Polar Sulfone-functionalised Oxygen-rich Metal Organic Frameworks for Highly Selective CO2 Capture and Sensitive Detection of Acetylacetone at ppb Level.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b22658","","","0.71073","MoKα","","0.0805","0.0663","","","0.1656","0.1747","","","","","","1.03","","","","has coordinates","248441","2020-10-21","18:00:00",""
"4517445","15.1979","0.0009","29.42","0.0018","32.182","0.002","90","","90","","90","","14389.3","1.5","100","2","100","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C53 H36 Cd2 N4 O16 S2 -","- C53 H36 Cd2 N4 O16 S2 -","- C424 H288 Cd16 N32 O128 S16 -","8","0.5","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Polar Sulfone-functionalised Oxygen-rich Metal Organic Frameworks for Highly Selective CO2 Capture and Sensitive Detection of Acetylacetone at ppb Level.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b22658","","","0.71073","MoKα","","0.0442","0.0363","","","0.1013","0.1082","","","","","","1.059","","","","has coordinates","248442","2020-10-21","18:00:00",""
"4517446","14.4073","0.0005","14.9016","0.0004","16.512","0.0005","104.953","0.001","111.191","0.001","99.539","0.001","3058.53","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_6d","","","- C56 H99 B3 Ir N2 O7 Si2 -","- C56 H99 B3 Ir N2 O7 Si2 -","- C112 H198 B6 Ir2 N4 O14 Si4 -","2","1","","Larsen, Matthew A.; Oeschger, Raphael J.; Hartwig, John F.","Effect of Ligand Structure on the Electron Density and Activity of Iridium Catalysts for the Borylation of Alkanes","ACS Catalysis","2020","","","3415","3424","10.1021/acscatal.0c00152","","","0.71073","MoKα","","0.0441","0.0357","","","0.0769","0.0814","","","","","","1.055","","","","has coordinates,has disorder","257029","2020-10-21","18:00:00",""
"4517447","10.69","0.0005","11.3617","0.0005","11.7062","0.0005","62.2925","0.0014","85.46","0.0017","73.2316","0.0016","1202.7","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","lm1mfm579F(619) - 19MCD00","","","- C43 H48 Cl2 N6 O12 Pd2 S2 -","- C43 H48 Cl2 N6 O12 Pd2 S2 -","- C43 H48 Cl2 N6 O12 Pd2 S2 -","1","0.5","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0553","0.0417","","","0.0704","0.0757","","","","","","1.116","","","","has coordinates,has disorder","256988","2020-10-21","18:00:00",""
"4517448","22.973","0.002","6.9135","0.0007","25.839","0.003","90","","106.258","0.003","90","","3939.7","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O5 S -","- C21 H22 N2 O5 S -","- C168 H176 N16 O40 S8 -","8","1","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0578","0.04","","","0.0883","0.095","","","","","","1.023","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517449","6.5642","0.0009","18.183","0.003","18.879","0.003","89.513","0.007","86.524","0.006","85.366","0.006","2241.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 N4 O5 Pd S -","- C21 H22 N4 O5 Pd S -","- C84 H88 N16 O20 Pd4 S4 -","4","2","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","x-ray","0.71073","MoKα","","0.067","0.0473","","","0.0978","0.1066","","","","","","1.136","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517450","9.0308","0.0005","11.8072","0.0006","11.9867","0.0006","97.855","0.016","105.716","0.017","105.33","0.016","1156.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl2 N3 O Pd -","- C25 H25 Cl2 N3 O Pd -","- C50 H50 Cl4 N6 O2 Pd2 -","2","1","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0326","0.0269","","","0.0593","0.0624","","","","","","1.078","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517451","7.555","0.009","7.727","0.009","8.337","0.009","105.747","0.018","96.866","0.019","115.116","0.017","408.5","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 Mo O8 -","- C4 H5 Mo O8 -","- C8 H10 Mo2 O16 -","2","1","","Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G.","Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond","ACS Omega","2020","","","","","10.1021/acsomega.0c00083","","","0.71073","MoKα","","0.0398","0.0374","","","0.0987","0.1005","","","","","","1.121","","","","has coordinates","248528","2020-10-21","18:00:00",""
"4517452","7.489","0.004","7.545","0.004","8.142","0.004","106.303","0.009","95.252","0.01","113.775","0.01","393","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 Cr O8 -","- C4 H5 Cr O8 -","- C8 H10 Cr2 O16 -","2","1","","Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G.","Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond","ACS Omega","2020","","","","","10.1021/acsomega.0c00083","","","0.71073","MoKα","","0.0489","0.0463","","","0.1281","0.1316","","","","","","1.087","","","","has coordinates","248528","2020-10-21","18:00:00",""
"4517453","23.9369","0.0006","9.0172","0.0002","33.4311","0.0008","90","","90","","90","","7215.9","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H31 F6 Ir N4 O P -","- C38 H31 F6 Ir N4 O P -","- C304 H248 F48 Ir8 N32 O8 P8 -","8","2","","Lin, Nan; Ou, Hui-Dan; Xu, Qiyan; Jin, Yan; Deng, Wei; Yao, Zi-Jian","An Efficient Probe of Cyclometallated Phosphorescent Iridium Complex for Selective Detection of Cyanide","ACS Omega","2020","","","","","10.1021/acsomega.9b04364","","","1.34138","GaKα","","0.0512","0.0393","","","0.0882","0.0933","","","","","","1.014","","","","has coordinates","248529","2020-10-21","18:00:00",""
"4517454","16.045","0.003","34.887","0.007","16.55","0.003","90","","114.68","0.03","90","","8418","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C104.5 H98 N4 S3 -","- C104.5 H98 N4 S3 -","- C418 H392 N16 S12 -","4","2","","Li, Panpan; Chan, Chin-Yiu; Lai, Shiu-Lun; Chan, Hing; Leung, Ming-Yi; Hong, Eugene Yau-Hin; Li, Jingwen; Wu, Hongbin; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Three-Dimensional Spirothienoquinoline-Based Small Molecules for Organic Photovoltaic and Organic Resistive Memory Applications.","ACS applied materials & interfaces","2020","12","10","11865","11875","10.1021/acsami.9b19746","","","0.71","synchrotron","","0.0679","0.0647","","","0.1759","0.1813","","","","","","1.042","","","","has coordinates,has disorder","250037","2020-10-21","18:00:00",""
"4517455","10.2207","0.0011","11.4378","0.0015","12.3943","0.0012","90","","90","","90","","1448.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","x-ray","0.71073","MoKα","","0.1188","0.0606","","","0.1082","0.1291","","","","","","1.021","","","","has coordinates","248590","2020-10-21","18:00:00",""
"4517456","12.5285","0.0004","16.597","0.0006","14.9439","0.0005","90","","93.876","0.001","90","","3100.26","0.18","120","2","120.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H86 Cl2 N8 O8 -","- C61 H86 Cl2 N8 O8 -","- C122 H172 Cl4 N16 O16 -","2","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","","0.71073","MoKα","","0.077","0.0517","","","0.1089","0.1252","","","","","","1.03","","","","has coordinates,has disorder","248591","2020-10-21","18:00:00",""
"4517457","21.059","0.002","5.9199","0.0006","13.2305","0.0018","90","","99.636","0.005","90","","1626.1","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 -","- C20 H26 -","- C80 H104 -","4","1","","Mato, Mauro; García-Morales, Cristina; Echavarren, Antonio M.","Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes","ACS Catalysis","2020","","","3564","","10.1021/acscatal.0c00006","","","0.71073","MoKα","","0.0877","0.0594","","","0.1429","0.1594","","","","","","1.017","","","","has coordinates","248592","2020-10-21","18:00:00",""
"4517458","25.487","0.005","9.845","0.002","26.272","0.005","90","","110.11","0.03","90","","6190","2","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C288 H300 N12 O48 -","12","6","","Feng, Jiaxu; Huang, You","Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates","ACS Catalysis","2020","","","3541","","10.1021/acscatal.0c00588","","","0.71073","MoKα","","0.1431","0.0534","","","0.1181","0.1606","","","","","","0.944","","","","has coordinates","248593","2020-10-21","18:00:00",""
"4517459","13.199","0.003","17.845","0.004","8.5547","0.0017","90","","98.41","0.03","90","","1993.3","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Feng, Jiaxu; Huang, You","Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates","ACS Catalysis","2020","","","3541","","10.1021/acscatal.0c00588","","","0.71073","MoKα","","0.075","0.0488","","","0.1064","0.1211","","","","","","0.982","","","","has coordinates","248594","2020-10-21","18:00:00",""
"4517460","10.6172","0.0014","12.2394","0.0016","12.8906","0.0017","97.354","0.004","90.322","0.005","94.404","0.004","1656.2","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H45 Cl N6 O6 -","- C31 H45 Cl N6 O6 -","- C62 H90 Cl2 N12 O12 -","2","1","","Singh, Harpreet; Devi, Manisha; Jena, Nityasagar; Iqbal, Mohamed Musthafa; Nailwal, Yogendra; De Sarkar, Abir; Pal, Santanu Kumar","Proton Triggered Fluorescence Switching in Self-Exfoliated Ionic Covalent Organic Nanosheets for Applications in Selective Detection of Anions.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20743","","","0.71073","MoKα","","0.093","0.0592","","","0.1435","0.1623","","","","","","1.023","","","","has coordinates","248791","2020-10-21","18:00:00",""
"4517461","9.3619","0.0003","10.2474","0.0003","11.0622","0.0003","73.881","0.001","65.949","0.001","83.137","0.001","931","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 F2 N O2 -","- C24 H17 F2 N O2 -","- C48 H34 F4 N2 O4 -","2","1","","Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi","Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade","ACS Catalysis","2020","","","3733","","10.1021/acscatal.9b05360","","","1.54178","CuKα","","0.0451","0.0407","","","0.1349","0.1434","","","","","","1.158","","","","has coordinates","249124","2020-10-21","18:00:00",""
"4517462","17.623","0.01","8.753","0.005","12.749","0.007","90","","99.38","0.008","90","","1940.3","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi","Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade","ACS Catalysis","2020","","","3733","","10.1021/acscatal.9b05360","","","0.71073","MoKα","","0.0646","0.0421","","","0.111","0.1257","","","","","","1.038","","","","has coordinates","249125","2020-10-21","18:00:00",""
"4517463","9.984","0.0009","5.4028","0.0003","12.6101","0.001","90","","111.475","0.006","90","","632.99","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-14","ent-14","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.049","0.0417","","","0.0984","0.1019","","","","","","1.036","","","","has coordinates","249127","2020-10-21","18:00:00",""
"4517464","9.6081","0.0004","5.9379","0.0002","13.0825","0.0005","90","","102.38","0.002","90","","729.03","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-30","ent-30","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C34 H32 N8 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0273","0.0261","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","249128","2020-10-21","18:00:00",""
"4517465","6.8163","0.0001","9.5313","0.0002","15.3468","0.0002","73.148","0.002","77.834","0.001","89.575","0.002","931.27","0.03","90","2","90","2","","","","","","","","5","P 1","P 1","1","8","8","","- C38 H55 Cl N4 O5 -","- C38 H55 Cl N4 O5 -","- C38 H55 Cl N4 O5 -","1","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54184","CuKα","","0.0429","0.042","","","0.1122","0.1136","","","","","","1.053","","","","has coordinates","249129","2020-10-21","18:00:00",""
"4517466","5.3519","0.0002","10.567","0.0004","26.7767","0.0011","90","","90","","90","","1514.32","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-22","ent-22","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0424","0.0408","","","0.0951","0.0961","","","","","","1.079","","","","has coordinates","249130","2020-10-21","18:00:00",""
"4517467","13.777","0.006","5.073","0.002","15.86","0.006","90","","103.272","0.007","90","","1078.9","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","20","20","","- C27 H25 N3 O4 -","- C27 H25 N3 O4 -","- C54 H50 N6 O8 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.065","0.0394","","","0.0774","0.0875","","","","","","1.024","","","","has coordinates","249131","2020-10-21","18:00:00",""
"4517468","16.3071","0.0003","4.7352","0.0001","19.7305","0.0004","90","","97.866","0.001","90","","1509.2","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","7","7","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","2","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0323","0.0299","","","0.0738","0.0753","","","","","","1.048","","","","has coordinates","249132","2020-10-21","18:00:00",""
"4517469","5.7224","0.0003","9.4414","0.0005","23.8273","0.0012","90","","90","","90","","1287.33","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-13","ent-13","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0306","0.0304","","","0.0778","0.078","","","","","","1.086","","","","has coordinates","249133","2020-10-21","18:00:00",""
"4517470","9.8446","0.0008","5.8701","0.0005","13.6268","0.0011","90","","101.772","0.006","90","","770.91","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-21","ent-21","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C40 H36 N4 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0373","0.0313","","","0.0656","0.069","","","","","","1.05","","","","has coordinates","249134","2020-10-21","18:00:00",""
"4517471","5.7576","0.0003","6.6825","0.0004","29.3671","0.0016","90","","90","","90","","1129.9","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-12","ent-12","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0339","0.0331","","","0.0821","0.0825","","","","","","1.05","","","","has coordinates","249135","2020-10-21","18:00:00",""
"4517472","10.7972","0.0005","4.7321","0.0001","13.9575","0.0006","90","","111.019","0.005","90","","665.69","0.05","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","9","9","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C32 H36 N4 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54184","CuKα","","0.0289","0.0285","","","0.0773","0.0777","","","","","","1.061","","","","has coordinates","249136","2020-10-21","18:00:00",""
"4517473","8.8961","0.0004","8.1587","0.0003","17.989","0.0007","90","","94.847","0.002","90","","1300.98","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br2 I4 N2 Pb -","- C16 H22 Br2 I4 N2 Pb -","- C32 H44 Br4 I8 N4 Pb2 -","2","1","","Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.","Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.","ACS nano","2020","","","","","10.1021/acsnano.0c00037","","","0.71073","MoKα","","0.0419","0.0324","","","0.0608","0.064","","","","","","0.979","","","","has coordinates","249137","2020-10-21","18:00:00",""
"4517474","32.8889","0.0014","6.179","0.0003","6.0988","0.0003","90","","89.989","0.002","90","","1239.4","0.1","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H22 F2 I4 N2 Pb -","- C16 H21.9984 F2 I4 N2 Pb -","- C32 H43.9968 F4 I8 N4 Pb2 -","2","0.25","","Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.","Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.","ACS nano","2020","","","","","10.1021/acsnano.0c00037","","","0.71073","MoKα","","0.0597","0.0494","","","0.0866","0.0904","","","","","","1.272","","","","has coordinates,has disorder","249138","2020-10-21","18:00:00",""
"4517475","33.2779","0.0018","6.1691","0.0003","6.1839","0.0003","90","","90.255","0.003","90","","1269.51","0.11","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H22 Cl2 I4 N2 Pb -","- C16 H22 Cl2 I4 N2 Pb -","- C32 H44 Cl4 I8 N4 Pb2 -","2","0.25","","Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.","Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.","ACS nano","2020","","","","","10.1021/acsnano.0c00037","","","0.71073","MoKα","","0.064","0.0493","","","0.0853","0.089","","","","","","1.211","","","","has coordinates,has disorder","249139","2020-10-21","18:00:00",""
"4517476","15.7036","0.0016","13.5822","0.0014","9.9735","0.001","90","","97.264","0.007","90","","2110.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br O -","- C23 H33 Br O -","- C92 H132 Br4 O4 -","4","1","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","","0.71075","MoKα","","","0.0604","","","","0.1311","","","","","","1.035","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517477","9.0497","0.0003","11.0964","0.0005","17.4034","0.0005","80.749","0.003","86.494","0.002","89.645","0.003","1721.66","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Br O -","- C20 H21 Br O -","- C80 H84 Br4 O4 -","4","2","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","x-ray","1.54184","CuKα","","0.0932","0.0868","","","0.2355","0.2403","","","","","","1.083","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517478","14.7609","0.001","16.1284","0.0012","20.1218","0.0014","73.575","0.002","89.177","0.003","66.103","0.004","4173.5","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Gross184b (Woormi)","","","- C93 H27 F30 Fe2 N13 -","- C93 H27 F30 Fe2 N13 -","- C186 H54 F60 Fe4 N26 -","2","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.0841","0.0539","","","0.1564","0.1721","","","","","","0.968","","","","has coordinates,has disorder","249199","2020-10-21","18:00:00",""
"4517479","36.007","0.011","12.107","0.009","18.503","0.005","90","","90.893","0.009","90","","8065","7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gross140 (Woormi)","","","- C51 H27 Co F6 N6 -","- C51 H27 Co F6 N6 -","- C408 H216 Co8 F48 N48 -","8","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.0742","0.0534","","","0.1465","0.1605","","","","","","1.086","","","","has coordinates","249200","2020-10-21","18:00:00",""
"4517480","15.257","0.0004","17.202","0.0005","25.355","0.001","83.153","0.001","79.357","0.001","71.301","0.001","6181.9","0.3","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","Gross143 (Woormi)","","","- C156 H92 Fe4 N16 O2 -","- C156 H92 Fe4 N16 O2 -","- C312 H184 Fe8 N32 O4 -","2","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.1915","0.0913","","","0.1951","0.2375","","","","","","1.012","","","","has coordinates","249201","2020-10-21","18:00:00",""
"4517481","9.6626","0.0011","10.1376","0.0012","11.1294","0.0015","97.909","0.011","105.084","0.011","114.113","0.011","923.2","0.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C42 H48 N8 O2 -","2","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","0.71073","MoKα","","0.0974","0.0683","","","0.1658","0.1834","","","","","","1.06","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517482","10.2367","0.0003","11.4102","0.0004","13.7829","0.0005","109.851","0.003","92.169","0.003","112.466","0.003","1373.04","0.1","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","1.54184","CuKα","","0.0443","0.0405","","","0.1127","0.1177","","","","","","1.023","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517483","15.294","0.0008","15.9747","0.0008","22.8893","0.0012","90","","109.52","","90","","5270.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H58 Co O5 P3 -","- C61 H58 Co O5 P3 -","- C244 H232 Co4 O20 P12 -","4","1","","Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes","ACS Catalysis","2020","","","3881","","10.1021/acscatal.9b05078","","","1.54178","CuKα","","0.0416","0.0382","","","0.1101","0.1138","","","","","","1.043","","","","has coordinates","249230","2020-10-21","18:00:00",""
"4517484","11.1714","0.0003","19.5049","0.0005","22.2984","0.0006","90","","90","","90","","4858.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H43 Co O6 P3 -","- C57 H43 Co O6 P3 -","- C228 H172 Co4 O24 P12 -","4","1","","Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes","ACS Catalysis","2020","","","3881","","10.1021/acscatal.9b05078","","","1.54178","CuKα","","0.07","0.0683","","","0.2013","0.2036","","","","","","1.05","","","","has coordinates","249231","2020-10-21","18:00:00",""
"4517485","13.8158","0.0012","18.9639","0.0019","18.5497","0.0018","90","","92.904","0.009","90","","4853.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Co N4 O6 -","- C62 H44 Co N4 O6 -","- C248 H176 Co4 N16 O24 -","4","0.5","","Xu, Dandan; Wu, Shijie; Xu, Xinxin; Wang, Qiang","Hybrid Zn Battery with Coordination-Polymer-Derived, Oxygen-Vacancy-Rich Co3O4 as a Cathode Material","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.9b06715","","x-ray","0.71073","MoKα","","0.1925","0.0817","","","0.1369","0.1759","","","","","","1.02","","","","has coordinates","249233","2020-10-21","18:00:00",""
"4517486","17.261","0.002","14.564","0.002","14.563","0.003","90","","120.954","0.002","90","","3139.6","0.9","296","2","296","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C32 H32 Cl2 Cu24 Mo24 N48 O94 P2 V6 -","2","0.25","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.071","0.0642","","","0.1966","0.2029","","","","","","1.064","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517487","14.5374","0.0008","14.5374","0.0008","29.782","0.003","90","","90","","90","","6294","0.8","296","2","296","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C64 H64 Cl4 Cu48 Mo48 N96 O168 P4 V8 -","4","0.5","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.108","0.0947","","","0.2358","0.245","","","","","","1.116","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517488","11.6448","0.0006","12.2417","0.0006","13.6216","0.0007","65.094","0.002","69.132","0.002","87.878","0.002","1630.98","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H51 N2 O32 Sm3 -","- C52 H51 N2 O32 Sm3 -","- C52 H51 N2 O32 Sm3 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0637","0.0408","","","0.1132","0.1221","","","","","","1.108","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517489","11.6419","0.0004","12.2249","0.0004","13.5781","0.0005","65.04","0.001","68.486","0.002","88.015","0.002","1613.29","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H67 Eu3 N2 O40 -","- C52 H67 Eu3 N2 O40 -","- C52 H67 Eu3 N2 O40 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0376","0.0304","","","0.0977","0.1033","","","","","","1.12","","","","has coordinates,has disorder","249283","2020-10-21","18:00:00",""
"4517490","11.6557","0.0014","12.2318","0.0013","13.5538","0.0017","65.008","0.004","66.387","0.005","88.173","0.005","1582.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H49 Gd3 N2 O31 -","- C52 H49 Gd3 N2 O31 -","- C52 H49 Gd3 N2 O31 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0606","0.036","","","0.0749","0.0817","","","","","","1.041","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517491","11.637","0.003","12.225","0.003","13.59","0.003","65.062","0.004","69.474","0.003","87.698","0.004","1628.5","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H53 N2 O33 Tb3 -","- C52 H53 N2 O33 Tb3 -","- C52 H53 N2 O33 Tb3 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0466","0.037","","","0.1123","0.1285","","","","","","1.093","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517492","11.5982","0.0004","12.2091","0.0004","13.5331","0.0005","65.025","0.001","68.665","0.001","87.743","0.001","1603.22","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H51 Dy3 N2 O32 -","- C52 H51 Dy3 N2 O32 -","- C52 H51 Dy3 N2 O32 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0334","0.0249","","","0.0725","0.0768","","","","","","1.026","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517493","11.5964","0.0006","12.192","0.0006","13.4894","0.0007","64.872","0.002","68.012","0.002","87.937","0.002","1583.81","0.15","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H63 Er3 N4 O33 -","- C58 H63 Er3 N4 O33 -","- C58 H63 Er3 N4 O33 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0302","0.0267","","","0.0776","0.0801","","","","","","1.083","","","","has coordinates,has disorder","249283","2020-10-21","18:00:00",""
"4517494","11.5652","0.0008","12.1973","0.0009","13.4782","0.0011","65.045","0.003","67.26","0.003","87.751","0.004","1572.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H53 N4 O28 Y3 -","- C58 H53 N4 O28 Y3 -","- C58 H53 N4 O28 Y3 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0959","0.0651","","","0.1555","0.1706","","","","","","1.064","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517495","7.447","0.0002","14.6245","0.0004","19.8929","0.0005","90","","90","","90","","2166.51","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C108 H136 O12 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.0405","0.0358","","","0.0908","0.0945","","","","","","1.031","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517496","12.2802","0.0006","7.2838","0.0004","37.4807","0.0017","90","","90.803","0.004","90","","3352.2","0.3","180","0.1","180","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C156 H216 O20 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.1091","0.0598","","","0.1074","0.1213","","","","","","1.01","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517497","5.9236","0.0012","13.586","0.003","12.496","0.003","90","","100.7","0.03","90","","988.2","0.4","113.15","","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","","0.71073","MoKα","","0.0631","0.0447","","","0.096","0.1134","","","","","","0.925","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517498","7.83127","0.0001","16.36158","0.00017","8.81821","0.00011","90","","104.574","0.0013","90","","1093.54","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 N3 O3 S -","- C8 H17 N3 O3 S -","- C32 H68 N12 O12 S4 -","4","1","","Jehanno, Coralie; Demarteau, Jeremy; Mantione, Daniele; Arno, Maria C.; Ruipérez, Fernando; Hedrick, James L.; Dove, Andrew P.; Sardon, Haritz","Synthesis of Functionalized Cyclic Carbonates through Commodity Polymer Upcycling","ACS Macro Letters","2020","","","443","447","10.1021/acsmacrolett.0c00164","","x-ray","1.54184","CuKα","","0.0347","0.0341","","","0.0964","0.0969","","","","","","1.047","","","","has coordinates","257086","2020-10-21","18:00:00",""
"4517499","14.798","0.0005","30.4525","0.0007","14.7929","0.0005","90","","119.955","0.005","90","","5775.7","0.4","119","","119","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C81 Cl21 N9 Pb3 Sb2 -","- C81 Cl21 N9 Pb3 Sb2 -","- C162 Cl42 N18 Pb6 Sb4 -","2","1","","Zhou, Chenkun; Lee, Sujin; Lin, Haoran; Neu, Jennifer; Chaaban, Maya; Xu, Liang-Jin; Arcidiacono, Ashley; He, Qingquan; Worku, Michael; Ledbetter, Logan; Lin, Xinsong; Schlueter, John A.; Siegrist, Theo; Ma, Biwu","Bulk Assembly of Multicomponent Zero-Dimensional Metal Halides with Dual Emission","ACS Materials Letters","2020","","","376","380","10.1021/acsmaterialslett.0c00011","","","0.71073","MoKα","","0.1856","0.1084","","0.2132","0.1858","0.175","","","","","","1.081","","","","has coordinates","257091","2020-10-21","18:00:00",""
"4517500","14.1795","0.0003","8.7989","0.0002","20.5217","0.0004","90","","102.312","0.002","90","","2501.48","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Ag F6 N4 Sb -","- C26 H18 Ag F6 N4 Sb -","- C104 H72 Ag4 F24 N16 Sb4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Chen, Jing; Wang, Jia-Jun; Du, Miao; Zhou, Wuzong","A Highly Efficient Coordination Polymer for Selective Trapping and Sensing of Perrhenate/Pertechnetate.","ACS applied materials & interfaces","2020","12","13","15246","15254","10.1021/acsami.0c00775","","","1.54184","CuKα","","0.0483","0.0436","","","0.1191","0.1235","","","","","","1.06","","","","has coordinates","250038","2020-10-21","18:00:00",""
"4517501","14.3428","0.0003","8.6193","0.0002","20.253","0.0005","90","","101.798","0.002","90","","2450.88","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Ag N4 O4 Re -","- C26 H18 Ag N4 O4 Re -","- C104 H72 Ag4 N16 O16 Re4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Chen, Jing; Wang, Jia-Jun; Du, Miao; Zhou, Wuzong","A Highly Efficient Coordination Polymer for Selective Trapping and Sensing of Perrhenate/Pertechnetate.","ACS applied materials & interfaces","2020","12","13","15246","15254","10.1021/acsami.0c00775","","x-ray","1.54184","CuKα","","0.0486","0.0415","","","0.1076","0.114","","","","","","1.029","","","","has coordinates","250038","2020-10-21","18:00:00",""
"4517502","17.846","0.0003","15.0741","0.0002","18.2288","0.0003","90","","94.492","0.001","90","","4888.71","0.13","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 Cl3 N P Pd -","- C20 H37 Cl3 N P Pd -","- C160 H296 Cl24 N8 P8 Pd8 -","8","1","","Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.","Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions","ACS Catalysis","2020","10","7","4127","4135","10.1021/acscatal.0c00221","","x-ray","0.71073","MoKα","","0.0176","0.016","","","0.0393","0.0398","","","","","","1.0368","","","","has coordinates,has disorder","257005","2020-10-21","18:00:00",""
"4517503","7.2868","0.0006","14.4003","0.0012","16.4259","0.0013","90","","90","","90","","1723.6","0.2","298","2","295.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Au Cl2 N2 O2 -","- C5 H3 Au Cl2 N2 O2 -","- C40 H24 Au8 Cl16 N16 O16 -","8","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0286","0.0243","","","0.0627","0.0667","","","","","","1.084","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517504","7.0334","0.001","12.6524","0.0016","15.688","0.002","79.435","0.004","81.214","0.005","89.464","0.004","1356","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H22 Au F3 N3 O5 P S -","- C24 H22 Au F3 N3 O5 P S -","- C48 H44 Au2 F6 N6 O10 P2 S2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71073","MoKα","","0.0474","0.0435","","","0.1197","0.1217","","","","","","1.136","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517505","6.6857","0.001","7.2848","0.0011","8.9057","0.0013","94.664","0.002","106.878","0.002","91.649","0.002","413.06","0.11","298","2","295.5","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Au Cl2 N3 O -","- C5 H4 Au Cl2 N3 O -","- C10 H8 Au2 Cl4 N6 O2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0175","0.0174","","","0.0425","0.0426","","","","","","1.198","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517506","12.627","0.004","16.99","0.005","4.5162","0.0013","90","","90","","90","","968.9","0.5","273","2","273.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H8 Cl4 F6 N4 O -","- C15 H8 Cl4 F6 N4 O -","- C30 H16 Cl8 F12 N8 O2 -","2","0.5","","Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata","Tandem Detection of Sub-Nano Molar Level CN‒ and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN‒ and Development of the RGB-Based Sensory Device","ACS Omega","2020","5","12","6576","6587","10.1021/acsomega.9b04311","","","0.71073","MoKα","","0.0448","0.037","","","0.085","0.0903","","","","","","1.028","","","","has coordinates,has disorder","257076","2020-10-21","18:00:00",""
"4517507","25.831","0.006","7.3258","0.0017","7.3487","0.0018","90","","90","","90","","1390.6","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cd Cl4 F6 N2 -","- C4 H10 Cd Cl4 F6 N2 -","- C16 H40 Cd4 Cl16 F24 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0538","0.0451","","","0.1082","0.1192","","","","","","1.149","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517508","7.5273","0.0009","7.4027","0.0009","23.054","0.003","90","","90","","90","","1284.6","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","csp-2fc-cd","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0539","0.0512","","","0.1184","0.1196","","","","","","1.396","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517509","11.2047","0.0008","7.6515","0.0005","7.305","0.0005","90","","104.162","0.007","90","","607.24","0.07","269.98","0.1","270","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cd Cl4 F2 N2 -","- C4 H14 Cd Cl4 F2 N2 -","- C8 H28 Cd2 Cl8 F4 N4 -","2","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0683","0.0656","","","0.1833","0.1861","","","","","","1.142","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517510","7.461","0.0007","23.412","0.002","7.5566","0.0007","90","","90","","90","","1320","0.2","340","2","340.01","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.25","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0606","0.053","","","0.1347","0.1423","","","","","","1.207","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517511","7.4525","0.0007","21.842","0.002","7.5766","0.0006","90","","90","","90","","1233.3","0.19","300","","300","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C16 H24 Cd4 Cl16 F8 N8 -","16","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0328","0.0314","","","0.0859","0.0872","","","","","","1.082","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517512","21.774","0.004","27.098","0.004","7.6429","0.0012","90","","99.062","0.008","90","","4453.3","1.3","180","2","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H37 Mg O13 -","- C48 H37 Mg O13 -","- C192 H148 Mg4 O52 -","4","0.5","","Hu, Zengchi; Qiao, Chengfang; Xia, Zhengqiang; Li, Feng; Han, Jing; Wei, Qing; Yang, Qi; Xie, Gang; Chen, Sanping; Gao, Sheng-Li","A Luminescent Mg-MOF for sustained release of 5-fluorouracil: appropriate host-guest interaction and satisfied acid-base resistance.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c01198","","","1.34139","GaKα","","0.0811","0.0711","","","0.222","0.236","","","","","","1.09","","","","has coordinates","249614","2020-10-21","18:00:00",""
"4517513","16.6366","0.0007","12.7954","0.0006","37.4749","0.0017","90","","101.172","0.002","90","","7826.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H64 B Co F24 P4 -","- C86 H64 B Co F24 P4 -","- C344 H256 B4 Co4 F96 P16 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0421","0.0348","","","0.0881","0.0921","","","","","","1.023","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517514","14.1589","0.0009","17.0352","0.001","24.3773","0.0014","90","","100.025","0.003","90","","5790","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Br3 Co O P4 Zn -","- C58 H60 Br3 Co O P4 Zn -","- C232 H240 Br12 Co4 O4 P16 Zn4 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0537","0.0359","","","0.0867","0.0929","","","","","","1.044","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517515","8.7317","0.0006","6.1983","0.0004","11.9174","0.0007","90","","110.056","0.002","90","","605.88","0.07","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N S -","- C15 H13 N S -","- C30 H26 N2 S2 -","2","1","","Pandey, Anand Kumar; Chand, Shiv; Singh, Rahul; Kumar, Saurabh; Singh, Krishna Nand","Iodine-Catalyzed Synthesis of 3-Arylthioindoles Employing a 1-Aryltriazene/CS2 Combination as a New Sulfenylation Source","ACS Omega","2020","","","","","10.1021/acsomega.0c00472","","x-ray","0.71073","MoKα","","0.0592","0.0491","","","0.1131","0.1217","","","","","","1.06","","","","has coordinates","249706","2020-10-21","18:00:00",""
"4517516","11.485","0.004","17.736","0.006","34.901","0.012","90","","92.971","0.009","90","","7100","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H64 Eu N3 O46 P6 U6 -","- C36 H64 Eu N3 O46 P6 U6 -","- C144 H256 Eu4 N12 O184 P24 U24 -","4","0.5","","Zhang, Yugang; Chen, Lanhua; Liu, Zhiyong; Liu, Wei; Yuan, Mengjia; Shu, Jie; Wang, Ning; He, Linwei; Zhang, Jiarong; Xie, Jian; Chen, Xijian; Diwu, Juan","Full-Range Ratiometric Detection of D2O in H2O by a Heterobimetallic Uranyl/Lanthanide Framework with 4f/5f Bimodal Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c02783","","","0.71073","MoKα","","0.0482","0.0365","","","0.0798","0.084","","","","","","1.066","","","","has coordinates","249732","2020-10-21","18:00:00",""
"4517517","20.222","0.003","18.433","0.003","7.6641","0.0016","90","","90","","90","","2856.8","0.9","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H4 Ca2 O10 -","- C11 H4 Ca2 O10 -","- C88 H32 Ca16 O80 -","8","0.5","","Li, Liangying; Guo, Lidong; Zheng, Fang; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi","Calcium-Based Metal-Organic Framework for Simultaneous Capture of Trace Propyne and Propadiene from Propylene.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03139","","","0.71073","MoKα","","0.0704","0.0597","","","0.1587","0.1705","","","","","","1.057","","","","has coordinates,has disorder","249733","2020-10-21","18:00:00",""
"4517518","19.916","0.004","18.697","0.004","7.67","0.0016","90","","90","","90","","2856.1","1","193","2","193","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H4 Ca2 O10 -","- C11 H4 Ca2 O10 -","- C88 H32 Ca16 O80 -","8","0.5","","Li, Liangying; Guo, Lidong; Zheng, Fang; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi","Calcium-Based Metal-Organic Framework for Simultaneous Capture of Trace Propyne and Propadiene from Propylene.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03139","","","0.71073","MoKα","","0.0555","0.0544","","","0.1406","0.1421","","","","","","1.072","","","","has coordinates,has disorder","268283","2021-08-30","06:31:23",""
"4517519","10.2077","0.0004","19.7705","0.0007","8.1575","0.0003","90","","97.395","0.001","90","","1632.58","0.11","99.93","","99.93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.038","0.0364","","","0.0939","0.0953","","","","","","1.071","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517520","9.0581","0.0012","9.9273","0.0012","10.2645","0.0012","105.947","0.004","96.819","0.004","97.151","0.004","869.2","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0437","0.0409","","","0.1051","0.1077","","","","","","1.036","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517521","8.7963","0.0009","10.354","0.0012","11.5419","0.0014","110.43","0.003","100.373","0.003","101.27","0.004","930.16","0.19","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0469","0.041","","","0.1026","0.1081","","","","","","1.048","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517522","10.0207","0.0015","19.056","0.003","10.3059","0.001","90","","105.173","0.011","90","","1899.4","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H45 F3 N2 O5 P Rh S -","- C39 H45 F3 N2 O5 P Rh S -","- C78 H90 F6 N4 O10 P2 Rh2 S2 -","2","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0333","0.0325","","","0.0876","0.0888","","","","","","1.059","","","","has coordinates,has disorder","257048","2020-10-21","18:00:00",""
"4517523","10.9434","0.0006","10.9434","0.0006","60.442","0.004","90","","90","","90","","7238.4","0.7","295","2","295","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","","","- C35 H40 Cl F3 N2 O5 P Rh S -","- C35 H40 Cl F3 N2 O5 P Rh S -","- C280 H320 Cl8 F24 N16 O40 P8 Rh8 S8 -","8","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0264","0.0256","","","0.0683","0.0692","","","","","","0.996","","","","has coordinates","257048","2020-10-21","18:00:00",""
"4517524","13.6532","0.0004","7.216","0.0002","18.2271","0.0005","90","","101.211","0.0009","90","","1761.49","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F3 N4 O2 Pt0.5 -","- C17 H16 F3 N4 O2 Pt0.5 -","- C68 H64 F12 N16 O8 Pt2 -","4","1","","Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun","Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23388","","","0.71073","MoKα","","0.0292","0.0203","","","0.0371","0.0405","","","","","","1.111","","","","has coordinates,has disorder","249826","2020-10-21","18:00:00",""
"4517525","5.4881","0.0004","17.594","0.0012","11.4063","0.0008","90","","96.767","0.002","90","","1093.69","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F6 N8 Pt -","- C20 H20 F6 N8 Pt -","- C40 H40 F12 N16 Pt2 -","2","0.5","","Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun","Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23388","","","0.71073","MoKα","","0.0238","0.0157","","","0.0331","0.0355","","","","","","1.147","","","","has coordinates","249826","2020-10-21","18:00:00",""
"4517526","11.9498","0.0002","9.229","0.0002","18.3551","0.0004","90","","93.5512","0.0005","90","","2020.4","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 N7 Pt -","- C19 H15 F6 N7 Pt -","- C76 H60 F24 N28 Pt4 -","4","1","","Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun","Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23388","","","0.71073","MoKα","","0.0173","0.0154","","","0.0333","0.0342","","","","","","1.073","","","","has coordinates","249826","2020-10-21","18:00:00",""
"4517527","8.43","0.0001","11.6177","0.0001","10.918","0.0001","90","","108.357","0.001","90","","1014.87","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 F5 N2 -","- C25 H19 F5 N2 -","- C50 H38 F10 N4 -","2","1","","Li, Jiuling; Zhang, Dan; Chen, Jianghui; Ma, Chaoqun; Hu, Wenhao","Enantioselective Synthesis of Fluoroalkyl-Substituted syn-Diamines by the Asymmetric gem-Difunctionalization of 2,2,2-Trifluorodiazoethane","ACS Catalysis","2020","","","4559","4565","10.1021/acscatal.0c00972","","x-ray","1.54184","CuKα","","0.032","0.0317","","","0.0855","0.0857","","","","","","1.037","","","","has coordinates","257057","2020-10-21","18:00:00",""
"4517528","11.8848","0.0003","19.0951","0.0004","17.618","0.0004","90","","105.834","0.003","90","","3846.55","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N Ni P2 -","- C42 H64 N Ni P2 -","- C168 H256 N4 Ni4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0977","0.0689","","","0.1747","0.193","","","","","","1.044","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517529","11.7655","0.0001","14.098","0.0001","22.4255","0.0001","90","","93.047","0.001","90","","3714.46","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 Ni P2 S -","- C40 H64 Ni P2 S -","- C160 H256 Ni4 P8 S4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0311","0.0296","","","0.0801","0.0811","","","","","","1.032","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517530","12.7568","0.0002","12.7744","0.0002","17.1688","0.0003","73.619","0.002","89.592","0.001","75.811","0.002","2596.58","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H96 Ni P4 -","- C52 H96 Ni P4 -","- C104 H192 Ni2 P8 -","2","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0728","0.0655","","","0.1774","0.1854","","","","","","1.03","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517531","12.2203","0.0001","18.687","0.0001","15.2866","0.0001","90","","99.052","0.001","90","","3447.38","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Br2 Ni P2 -","- C33 H56 Br2 Ni P2 -","- C132 H224 Br8 Ni4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0539","0.0515","","","0.1362","0.1379","","","","","","1.066","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517532","14.4888","0.0002","5.6004","0.0001","15.206","0.0002","90","","109.454","0.002","90","","1163.42","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0473","0.0409","","","0.1154","0.1203","","","","","","1.082","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517533","10.5652","0.0001","22.4696","0.0001","15.3099","0.0001","90","","105.292","0.001","90","","3505.82","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 Br Ni O P2 -","- C36 H61 Br Ni O P2 -","- C144 H244 Br4 Ni4 O4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0272","0.0239","","","0.0608","0.0622","","","","","","1.051","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517534","10.6205","0.0001","8.92","0.0001","11.9761","0.0001","90","","97.617","0.001","90","","1124.54","0.019","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N -","- C14 H19 N -","- C56 H76 N4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0449","0.0411","","","0.1157","0.119","","","","","","1.075","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517535","4.495","0.0006","13.8963","0.0016","19.758","0.003","90","","90","","90","","1234.2","0.3","295","2","295","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C16 H6 F2 N4 O -","- C16 H6 F2 N4 O -","- C64 H24 F8 N16 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Eltsov, Oleg S.; Slepukhin, Pavel A.; Tameev, Alexey R.; Nekrasova, Natalia V.; Rusinov, Gennady L.; Nunzi, Jean-Michel; Chupakhin, Oleg N.; Charushin, Valery N.","Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C‒H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization","ACS Omega","2020","","","","","10.1021/acsomega.0c00479","","x-ray","0.71073","MoKα","","0.1239","0.0801","","","0.1945","0.2399","","","","","","1.02","","","","has coordinates,has disorder","249870","2020-10-21","18:00:00",""
"4517536","9.3825","0.0006","10.3799","0.0006","11.1183","0.0003","76.894","0.004","89.918","0.004","73.255","0.005","1007.51","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F3 N2 Ni -","- C22 H19 Br F3 N2 Ni -","- C44 H38 Br2 F6 N4 Ni2 -","2","1","","Rand, Alexander W.; Yin, Hongfei; Xu, Liang; Giacoboni, Jessica; Martin-Montero, Raul; Romano, Ciro; Montgomery, John; Martin, Ruben","Dual Catalytic Platform for Enabling sp3 α C‒H Arylation and Alkylation of Benzamides","ACS Catalysis","2020","","","4671","","10.1021/acscatal.0c01318","","","0.7107","MoKα","","0.0777","0.0455","","","0.1031","0.1112","","","","","","0.919","","","","has coordinates","249964","2020-10-21","18:00:00",""
"4517537","15.0776","0.0002","6.6335","0.0001","21.5511","0.0003","90","","102.6","0.001","90","","2103.57","0.05","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 O2 -","- C22 H34 B2 O2 -","- C88 H136 B8 O8 -","4","1","","Docherty, Jamie H.; Nicholson, Kieran; Dominey, Andrew P.; Thomas, Stephen P.","A Boron‒Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes","ACS Catalysis","2020","","","4686","","10.1021/acscatal.0c00869","","x-ray","1.54184","CuKα","","0.0744","0.0664","","","0.179","0.188","","","","","","1.033","","","","has coordinates,has disorder","249965","2020-10-21","18:00:00",""
"4517538","28.201","0.009","14.449","0.004","20.928","0.008","90","","91.058","0.016","90","","8526","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co2 F6 N2 O9 -","- C44 H42 Co2 F6 N2 O9 -","- C352 H336 Co16 F48 N16 O72 -","8","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","1.34139","GaKα","","0.0836","0.0524","","","0.133","0.1458","","","","","","1.06","","","","has coordinates","251426","2020-10-21","18:00:00",""
"4517539","4.42","0.002","43.948","0.009","7.635","0.002","90","","97.64","0.03","90","","1469.9","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","0.71073","MoKα","","0.0368","0.0337","","","0.0843","0.0871","","","","","","1.028","","","","has coordinates","251426","2020-10-21","18:00:00",""
"4517540","20.8825","0.0005","20.8825","0.0005","10.11","0.0003","90","","90","","90","","4408.8","0.2","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H26 Br8 F4 N4 O2 -","- C46 H26 Br8 F4 N4 O2 -","- C184 H104 Br32 F16 N16 O8 -","4","0.25","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","0.71073","MoKα","","0.099","0.0703","","","0.1878","0.2051","","","","","","1.071","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517541","36.7959","0.0004","10.19901","0.00008","30.7172","0.0003","90","","112.85","0.0011","90","","10623","0.2","99.99","0.11","99.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H26 Br8 F12 N4 O2 -","- C50 H26 Br8 F12 N4 O2 -","- C400 H208 Br64 F96 N32 O16 -","8","2","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","1.54184","CuKα","","0.0528","0.0476","","","0.1209","0.1241","","","","","","1.127","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517542","11.4317","0.0015","12.324","0.002","15.915","0.002","85.293","0.003","74.338","0.003","84.999","0.003","2146.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51 Cl O P2 Pd -","- C50 H51 Cl O P2 Pd -","- C100 H102 Cl2 O2 P4 Pd2 -","2","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.0745","0.0464","","","0.1023","0.1148","","","","","","1.025","","","","has coordinates,has disorder","251431","2020-10-21","18:00:00",""
"4517543","12.1515","0.0006","12.242","0.0007","16.8588","0.0005","86.933","0.004","70.832","0.004","68.328","0.004","2194.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 F6 N O2 P2 Pd Sb -","- C48 H46 F6 N O2 P2 Pd Sb -","- C96 H92 F12 N2 O4 P4 Pd2 Sb2 -","2","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.04","0.0271","","","0.0652","0.0686","","","","","","1.02","","","","has coordinates,has disorder","251431","2020-10-21","18:00:00",""
"4517544","15.6405","0.0014","3.9355","0.0004","18.191","0.002","90","","90","","90","","1119.7","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.0314","0.0274","","","0.0618","0.0632","","","","","","1.043","","","","has coordinates","251431","2020-10-21","18:00:00",""
"4517545","7.1231","0.0003","7.1231","0.0003","19.3925","0.0016","90","","90","","120","","852.12","0.09","293","2","293","2","","","","","","","","2","P 65","P 65","170","","","","- In2 Se3 -","- In2 Se3 -","- In12 Se18 -","6","1","","Chi, Yang; Sun, Zong-Dong; Xu, Qian-Ting; Xue, Huai-Guo; Guo, Sheng-Ping","Hexagonal In<sub>2</sub>Se<sub>3</sub>: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe<sub>5</sub> Unit.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23085","","","0.71073","MoKα","","0.0434","0.0424","","","0.1069","0.1074","","","","","","1.232","","","","has coordinates","250000","2020-10-21","18:00:00",""
"4517546","17.7721","0.0008","28.9182","0.0012","23.5633","0.001","90","","90.112","0.002","90","","12110","0.9","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84 H184 N3 O37 Sb Si3 Ti W9 -","- C84 H184 N3 O37 Sb Si3 Ti W9 -","- C336 H736 N12 O148 Sb4 Si12 Ti4 W36 -","4","1","","Solé-Daura, Albert; Zhang, Teng; Fouilloux, Hugo; Robert, Carine; Thomas, Christophe M.; Chamoreau, Lise-Marie; Carbó, Jorge J.; Proust, Anna; Guillemot, Geoffroy; Poblet, Josep M.","Catalyst Design for Alkene Epoxidation by Molecular Analogues of Heterogeneous Titanium-Silicalite Catalysts","ACS Catalysis","2020","","","4737","","10.1021/acscatal.9b05147","","","0.71073","MoKα","","0.0824","0.0571","","","0.1143","0.1341","","","","","","1.1","","","","has coordinates","250001","2020-10-21","18:00:00",""
"4517547","15.249","0.0008","6.1775","0.0003","16.2653","0.0009","90","","113.939","0.002","90","","1400.4","0.13","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","2","","Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng","Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid","ACS Catalysis","2020","10","8","4786","4790","10.1021/acscatal.0c00610","","","1.34139","GaKα","","0.0877","0.0652","","","0.1546","0.1739","","","","","","1.025","","","","has coordinates","256990","2020-10-21","18:00:00",""
"4517548","7.589","0.003","14.368","0.004","18.561","0.005","72.261","0.01","85.4","0.03","88.99","0.03","1921.4","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cl2 N2 O12 -","- C44 H40 Cl2 N2 O12 -","- C88 H80 Cl4 N4 O24 -","2","1","","Yang, Dezhi; Cao, Junzi; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Lu, Yang; Du, Guanhua","Solubility and Stability Advantages of a New Cocrystal of Berberine Chloride with Fumaric Acid.","ACS omega","2020","5","14","8283","8292","10.1021/acsomega.0c00692","","","1.54178","CuKα","","0.088","0.0714","","","0.2136","0.2483","","","","","","1.044","","","","has coordinates","251427","2020-10-21","18:00:00",""
"4517549","5.0909","0.0007","18.372","0.003","11.6238","0.0014","90","","98.735","0.004","90","","1074.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1299","0.0643","","","0.1632","0.2137","","","","","","1.028","","","","has coordinates","251430","2020-10-21","18:00:00",""
"4517550","14.8009","0.0003","11.9949","0.0003","15.0518","0.0005","90","","114.048","0.002","90","","2440.29","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1169","0.0578","","","0.1415","0.1778","","","","","","1.054","","","","has coordinates,has disorder","251430","2020-10-21","18:00:00",""
"4517551","24.7582","0.0014","24.7582","0.0014","31.9322","0.0019","90","","90","","90","","19573","2","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C280 H198 N2 O56 Zr6 -","- C280 H198 N2 O54 Zr4 -","- C560 H396 N4 O108 Zr8 -","2","0.125","","Cheng, Shengxian; Li, Kedi; Hu, Jieying; He, Jun; Zeller, Matthias; Xu, Zhengtao","Building Conjugated Donor-Acceptor Cross-Links into Metal-Organic Frameworks for Photo- and Electroactivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c01634","","","0.71073","MoKα","","0.1043","0.0933","","","0.2745","0.2876","","","","","","1.09","","","","has coordinates,has disorder","250504","2020-10-21","18:00:00",""
"4517552","10.081","0.0006","26.6065","0.0012","14.0765","0.0007","90","","105.018","0.003","90","","3646.6","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 Cl4 N3 O Ru S -","- C37 H43 Cl4 N3 O Ru S -","- C148 H172 Cl16 N12 O4 Ru4 S4 -","4","1","","Segalovich-Gerendash, Gal; Rozenberg, Illya; Alassad, Nebal; Nechmad, Noy B.; Goldberg, Israel; Kozuch, Sebastian; Lemcoff, N. Gabriel","Imposing Latency in Ruthenium Sulfoxide-Chelated Benzylidenes: Expanding Opportunities for Thermal and Photoactivation in Olefin Metathesis","ACS Catalysis","2020","","","4827","","10.1021/acscatal.0c00676","","","0.71073","MoKα","","0.0472","0.0339","","","0.0734","0.08","","","","","","1.034","","","","has coordinates","250505","2020-10-21","18:00:00",""
"4517553","12.4359","0.0013","16.0865","0.0007","26.638","0.002","90","","98.824","0.009","90","","5265.9","0.7","100.15","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42.65 H53 Ag Cl5.29 I N6 O8.35 S -","- C42.649 H53 Ag Cl5.298 I N6 O8.351 S -","- C170.596 H212 Ag4 Cl21.192 I4 N24 O33.404 S4 -","4","1","","Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G.","Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst","ACS Catalysis","2020","","","4820","","10.1021/acscatal.0c00065","","x-ray","0.41328","","","0.1196","0.1086","","","0.2771","0.2854","","","","","","1.094","","","","has coordinates,has disorder","250506","2020-10-21","18:00:00",""
"4517554","20.4684","0.0004","13.4202","0.0002","15.4089","0.0002","90","","90","","90","","4232.67","0.12","99.96","0.14","99.96","0.14","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H47 Ag Cl2 N5 O8 S2 -","- C40 H47 Ag Cl2 N5 O8 S2 -","- C160 H188 Ag4 Cl8 N20 O32 S8 -","4","1","","Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G.","Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst","ACS Catalysis","2020","","","4820","","10.1021/acscatal.0c00065","","x-ray","1.54184","CuKα","","0.0577","0.0541","","","0.1339","0.138","","","","","","1.022","","","","has coordinates,has disorder","250507","2020-10-21","18:00:00",""
"4517555","12.219","0.002","15.7","0.003","15.737","0.003","101.19","0.03","97.41","0.03","92.52","0.03","2929.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N20 O12 Zn5 -","- C34 H22 N18 O9 Zn5 -","- C68 H44 N36 O18 Zn10 -","2","1","","Kan, Liang; Li, Guanghua; Liu, Yunling","Highly Selective Separation of C3H8 and C2H2 over CH4 within Two Water-Stable Zn5 Cluster-Based Metal-Organic Frameworks.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04538","","","0.71073","MoKα","","0.0506","0.0355","","","0.0956","0.0999","","","","","","1.055","","","","has coordinates","250538","2020-10-21","18:00:00",""
"4517556","14.406","0.003","15.241","0.003","16.333","0.003","97.6","0.03","95.92","0.03","106.86","0.03","3363.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H42.5 N23.5 O13.5 Zn5 -","- C32 H19 N21 O10 Zn5 -","- C64 H38 N42 O20 Zn10 -","2","1","","Kan, Liang; Li, Guanghua; Liu, Yunling","Highly Selective Separation of C3H8 and C2H2 over CH4 within Two Water-Stable Zn5 Cluster-Based Metal-Organic Frameworks.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04538","","","0.71073","MoKα","","0.0639","0.0449","","","0.1234","0.1301","","","","","","1.046","","","","has coordinates,has disorder","250539","2020-10-21","18:00:00",""
"4517557","10.4131","0.0009","7.3711","0.0006","5.4291","0.0005","90","","90","","90","","416.72","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.5","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.41127","synchrotron","","0.0594","0.0594","","0.0668","0.0667","","","","4.9","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517558","7.3444","0.0009","6.8828","0.0009","7.2247","0.0008","90","","90","","90","","365.21","0.08","593","","593","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0871","0.0835","","0.0879","0.0878","","","","4.49","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517559","7.3575","0.0013","6.7932","0.0015","7.2231","0.0012","90","","90","","90","","361.02","0.12","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.111","0.1094","","0.1015","0.1013","","","","4.7","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517560","7.16905","0.00016","7.16905","0.00016","7.16905","0.00016","90","","90","","90","","368.455","0.014","638","","638","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- H5 Na3 Ni -","- H5.0004 Na3 Ni -","- H20.0016 Na12 Ni4 -","4","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0641","0.0641","","0.0836","0.0836","","","","4.26","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517561","3.43235","0.00003","3.43235","0.00003","3.43235","0.00003","90","","90","","90","","40.4366","0.0006","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- H3 Na Ni -","- H3 Na Ni -","- H3 Na Ni -","1","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.3544","synchrotron","","0.0239","0.0239","","0.0351","0.0351","","","","1.28","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517562","36.341","0.008","36.43","0.008","25.851","0.007","90","","90.192","0.008","90","","34224","14","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C231 H132 Eu6 O32 -","- C231 H132 Eu6 O32 -","- C924 H528 Eu24 O128 -","4","0.5","","Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei","Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.","ACS applied materials & interfaces","2020","12","16","18715","18722","10.1021/acsami.0c03336","","","0.71073","MoKα","","0.1153","0.1005","","","0.279","0.2916","","","","","","1.183","","","","has coordinates,has disorder","251420","2020-10-21","18:00:00",""
"4517563","35.6432","0.0009","35.6432","0.0009","43.654","0.003","90","","90","","120","","48029","4","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C231 H144 O32 Zr6 -","- C229.5 H144 O32 Zr6 -","- C1377 H864 O192 Zr36 -","6","0.166667","","Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei","Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.","ACS applied materials & interfaces","2020","12","16","18715","18722","10.1021/acsami.0c03336","","","0.71073","MoKα","","0.1012","0.0712","","","0.206","0.2239","","","","","","1.044","","","","has coordinates,has disorder","251420","2020-10-21","18:00:00",""
"4517564","28.278","0.007","5.5097","0.0013","20.597","0.005","90","","127.417","0.006","90","","2548.8","1.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 S -","- C36 H24 N2 S -","- C144 H96 N8 S4 -","4","0.5","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","x-ray","0.71073","MoKα","","0.0428","0.0357","","","0.0917","0.0975","","","","","","1.057","","","","has coordinates","250684","2020-10-21","18:00:00",""
"4517565","20.621","0.003","5.6913","0.001","22.676","0.004","90","","99.462","0.012","90","","2625.1","0.8","150.15","","150.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H24 N2 Te -","- C36 H24 N2 Te -","- C144 H96 N8 Te4 -","4","0.5","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","","0.71073","MoKα","","0.0247","0.0224","","","0.0599","0.0613","","","","","","1.073","","","","has coordinates","250685","2020-10-21","18:00:00",""
"4517566","16.827","0.002","16.972","0.002","21.654","0.003","90","","90","","90","","6184.1","1.3","296","2","296.15","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C320 H256 N16 O16 -","- C320 H256 N16 O16 -","- C320 H256 N16 O16 -","1","0.125","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","","0.71073","MoKα","","0.146","0.0842","","","0.2582","0.3167","","","","","","1.043","","","","has coordinates","250686","2020-10-21","18:00:00",""
"4517567","28.158","0.002","5.58","0.0004","20.6226","0.0015","90","","127.213","0.004","90","","2580.5","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 Se -","- C36 H24 N2 Se -","- C144 H96 N8 Se4 -","4","0.5","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","x-ray","0.71073","MoKα","","0.0273","0.0246","","","0.0629","0.0641","","","","","","1.08","","","","has coordinates","250687","2020-10-21","18:00:00",""
"4517568","31.3169","0.0009","13.0613","0.0003","7.9634","0.0002","90","","90","","90","","3257.34","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H14 Cl I N2 O2 -","- C17 H14 Cl I N2 O2 -","- C136 H112 Cl8 I8 N16 O16 -","8","1","","Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong","Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization","ACS Catalysis","2020","10","9","4983","4989","10.1021/acscatal.0c01209","","x-ray","0.71073","MoKα","","0.0302","0.0233","","","0.0505","0.0525","","","","","","1.025","","","","has coordinates","257010","2020-10-21","18:00:00",""
"4517569","7.3777","0.0016","9.654","0.002","10.051","0.002","72.698","0.004","87.979","0.005","70.408","0.005","642.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H16 N4 S2 -","- C36 H16 N4 S2 -","- C36 H16 N4 S2 -","1","0.5","","Jin, Jianqun; Wu, Shanyu; Ma, Yudong; Dong, Caiqiao; Wang, Wei; Liu, Xitong; Xu, Haixiao; Long, Guankui; Zhang, Mingtao; Zhang, Jing; Huang, Wei","Nucleation Control-Triggering Cocrystal Polymorphism of Charge-Transfer Complexes Differing in Physical and Electronic Properties.","ACS applied materials & interfaces","2020","12","17","19718","19726","10.1021/acsami.9b23590","","","0.71073","MoKα","","0.0748","0.0704","","","0.2104","0.2137","","","","","","0.868","","","","has coordinates,has disorder","251419","2020-10-21","18:00:00",""
"4517570","11.9205","0.0018","16.126","0.002","13.885","0.002","90","","107.673","0.012","90","","2543.1","0.6","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36.16 H16 N4 S2 -","- C36.188 H16.188 N4 S1.812 -","- C144.752 H64.752 N16 S7.248 -","4","0.5","","Jin, Jianqun; Wu, Shanyu; Ma, Yudong; Dong, Caiqiao; Wang, Wei; Liu, Xitong; Xu, Haixiao; Long, Guankui; Zhang, Mingtao; Zhang, Jing; Huang, Wei","Nucleation Control-Triggering Cocrystal Polymorphism of Charge-Transfer Complexes Differing in Physical and Electronic Properties.","ACS applied materials & interfaces","2020","12","17","19718","19726","10.1021/acsami.9b23590","","","0.71073","MoKα","","0.0659","0.0486","","","0.1152","0.1228","","","","","","1.013","","","","has coordinates,has disorder","251419","2020-10-21","18:00:00",""
"4517571","8.0634","0.0002","19.6046","0.0006","12.6297","0.0004","90","","93.722","0.003","90","","1992.29","0.1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl Ir N2 O -","- C22 H26 Cl Ir N2 O -","- C88 H104 Cl4 Ir4 N8 O4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","0.71073","MoKα","","0.0416","0.0344","","","0.0839","0.0867","","","","","","1.088","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517572","20.4075","0.0004","8.0569","0.0002","14.2212","0.0003","90","","103.892","0.002","90","","2269.87","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O2 Si -","- C23 H32 N2 O2 Si -","- C92 H128 N8 O8 Si4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0954","0.0874","","","0.2409","0.2485","","","","","","1.083","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517573","8.2563","0.0005","8.5661","0.0004","19.6108","0.0011","78.098","0.004","89.653","0.005","71.445","0.005","1283.94","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 N2 O3 S Si -","- C27 H36 N2 O3 S Si -","- C54 H72 N4 O6 S2 Si2 -","2","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0719","0.0647","","","0.1747","0.1829","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517574","43.3006","0.0008","12.9147","0.0002","24.7725","0.0004","90","","103.997","0.0017","90","","13441.8","0.4","123","","123","","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C65 H59 B Cl F24 Ir N2 O Si -","- C65 H59 B Cl F24 Ir N2 O Si -","- C520 H472 B8 Cl8 F192 Ir8 N16 O8 Si8 -","8","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0443","0.0428","","","0.1168","0.118","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517575","20.6873","0.0011","7.8511","0.0004","26.1279","0.0012","90","","98.161","0.004","90","","4200.7","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 O -","- C23 H10 Cl Ir N2 O -","- C184 H80 Cl8 Ir8 N16 O8 -","8","2","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.1088","0.1024","","","0.2379","0.2412","","","","","","1.094","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517576","7.4602","0.0008","7.7802","0.0009","14.1269","0.0015","92.011","0.004","102.586","0.004","97.486","0.004","791.72","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C36 H28 N4 O10 -","2","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0772","0.0546","","","0.1148","0.1262","","","","","","1.03","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517577","11.9493","0.0017","6.9494","0.0009","17.493","0.003","90","","104.384","0.005","90","","1407.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br Cl3 N O2 -","- C12 H9 Br Cl3 N O2 -","- C48 H36 Br4 Cl12 N4 O8 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0558","0.0449","","","0.1141","0.1258","","","","","","1.039","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517578","7.5628","0.0017","16.969","0.004","11.191","0.002","90","","105.563","0.0019","90","","1383.5","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.047","0.0382","","","0.0928","0.1","","","","","","1.041","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517579","7.4538","0.0003","16.3766","0.0007","12.0863","0.0005","90","","106.556","0.002","90","","1414.18","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O3 -","- C16 H11 Cl N2 O3 -","- C64 H44 Cl4 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.054","0.0397","","","0.0943","0.1036","","","","","","1.028","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517580","8.6223","0.0017","10.073","0.002","11.48","0.002","85","0.03","71.73","0.03","76.75","0.03","921.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Br N2 -","- C23 H19 Br N2 -","- C46 H38 Br2 N4 -","2","1","","Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min","Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling","ACS Catalysis","2020","","","5243","","10.1021/acscatal.0c00394","","","0.71073","MoKα","","0.119","0.0883","","","0.2042","0.225","","","","","","1.003","","","","has coordinates","250883","2020-10-21","18:00:00",""
"4517581","7.4417","0.0015","9.5742","0.0019","13.391","0.003","74.82","0.03","87.16","0.03","74.55","0.03","887.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C46 H40 N4 -","2","1","","Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min","Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling","ACS Catalysis","2020","","","5243","","10.1021/acscatal.0c00394","","","0.71073","MoKα","","0.115","0.0641","","","0.1513","0.1935","","","","","","1.018","","","","has coordinates","250884","2020-10-21","18:00:00",""
"4517582","11.029","0.0005","13.8947","0.0007","23.635","0.0009","90","","102.05","0.002","90","","3542.1","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Au B F4 N2 -","- C31 H46 Au B F4 N2 -","- C124 H184 Au4 B4 F16 N8 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.031","0.0222","","","0.0468","0.0492","","","","","","1.048","","","","has coordinates","250885","2020-10-21","18:00:00",""
"4517583","5.2585","0.0018","15.779","0.003","18.526","0.004","90","","95.843","0.014","90","","1529.2","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.068","0.0415","","","0.0837","0.0925","","","","","","1.019","","","","has coordinates","250886","2020-10-21","18:00:00",""
"4517584","15.2805","0.0009","18.4692","0.0012","20.3195","0.0013","78.445","0.001","80.937","0.001","82.219","0.001","5516.1","0.6","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H47 Au B F20 N -","- C62 H47 Au B F20 N -","- C248 H188 Au4 B4 F80 N4 -","4","2","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.0412","0.0263","","","0.0555","0.0615","","","","","","1.043","","","","has coordinates,has disorder","250887","2020-10-21","18:00:00",""
"4517585","17.9392","0.0011","18.2892","0.001","17.3878","0.001","90","","118.402","0.002","90","","5018.1","0.5","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H78 Au B F4 N2 -","- C56 H78 Au B F4 N2 -","- C224 H312 Au4 B4 F16 N8 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.031","0.0188","","","0.0427","0.0476","","","","","","1.04","","","","has coordinates,has disorder","250888","2020-10-21","18:00:00",""
"4517586","11.564","0.005","11.051","0.005","18.1","0.007","90","","107.954","0.014","90","","2200.4","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Co N7 O13 -","- C14 H25 Co N7 O13 -","- C56 H100 Co4 N28 O52 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0642","0.0511","","","0.1429","0.1587","","","","","","1.044","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517587","11.5555","0.0006","11.0401","0.0006","18.0417","0.0008","90","","107.654","0.002","90","","2193.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24.64 N7 O13 Zn -","- C14 H24.644 N7 O13 Zn -","- C56 H98.576 N28 O52 Zn4 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0453","0.035","","","0.12","0.1319","","","","","","1.092","","","","has coordinates,has disorder","250935","2020-10-21","18:00:00",""
"4517588","7.1817","0.0009","8.3024","0.001","23.248","0.003","90","","91.594","0.005","90","","1385.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N8 Ni O12 S2 -","- C20 H30 N8 Ni O12 S2 -","- C40 H60 N16 Ni2 O24 S4 -","2","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0397","0.0359","","","0.1397","0.1453","","","","","","1.344","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517589","7.1297","0.0006","7.9881","0.0008","12.2187","0.0008","84.616","0.002","86.409","0.004","82.067","0.004","685.32","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Co N8 O14 -","- C20 H30 Co N8 O14 -","- C20 H30 Co N8 O14 -","1","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0357","0.0293","","","0.0877","0.0914","","","","","","1.234","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517590","7.152","0.003","7.947","0.004","12.222","0.005","84.7","0.02","86.949","0.013","82.23","0.02","684.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N8 O14 Zn -","- C20 H30 N8 O14 Zn -","- C20 H30 N8 O14 Zn -","1","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71075","MoKα","","0.0397","0.0301","","","0.0713","0.0758","","","","","","1.083","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517591","24.3715","0.0003","8.7872","0.0001","37.3337","0.0004","90","","95.671","0.001","90","","7956.15","0.16","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H41 Cl4 N2 O4 -","- C44 H41 Cl4 N2 O4 -","- C352 H328 Cl32 N16 O32 -","8","1","","Chen, Jian; Xia, Jianxing; Gao, Wei-Jie; Yu, Hui-Juan; Zhong, Jun-Xing; Jia, Chunyang; Qin, Yuan-Shou; She, Zhigang; Kuang, Dai-Bin; Shao, Guang","Tetraphenylbutadiene-Based Symmetric 3D Hole-Transporting Materials for Perovskite Solar Cells: A Trial Trade-off between Charge Mobility and Film Morphology.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02751","","x-ray","1.54184","CuKα","","0.06","0.0568","","","0.1553","0.1589","","","","","","1.042","","","","has coordinates,has disorder","251017","2020-10-21","18:00:00",""
"4517592","6.4195","0.0003","10.8173","0.0006","11.1868","0.0006","104.935","0.005","96.182","0.004","106.722","0.005","704.83","0.07","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Br4 O -","- C32 H26 Br4 O -","- C32 H26 Br4 O -","1","0.5","","Chen, Jian; Xia, Jianxing; Gao, Wei-Jie; Yu, Hui-Juan; Zhong, Jun-Xing; Jia, Chunyang; Qin, Yuan-Shou; She, Zhigang; Kuang, Dai-Bin; Shao, Guang","Tetraphenylbutadiene-Based Symmetric 3D Hole-Transporting Materials for Perovskite Solar Cells: A Trial Trade-off between Charge Mobility and Film Morphology.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02751","","x-ray","0.71073","MoKα","","0.0527","0.0433","","","0.0961","0.1021","","","","","","1.054","","","","has coordinates","251018","2020-10-21","18:00:00",""
"4517593","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Tu, Qing; Spanopoulos, Ioannis; Vasileiadou, Eugenia Savvas; Li, Xiaotong; Kanatzidis, Mercouri G.; Shekhawat, Gajendra S.; Dravid, Vinayak P.","Exploring the Factors Affecting the Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02313","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","251019","2020-10-21","18:00:00",""
"4517594","27.9864","0.0007","7.987","0.004","7.8338","0.0007","90","","90","","90","","1751.1","0.9","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","Butylammonium Lead Chloride","","","- C8 H24 Cl4 N2 Pb -","- C8 H24 Cl4 N2 Pb -","- C32 H96 Cl16 N8 Pb4 -","4","0.5","","Tu, Qing; Spanopoulos, Ioannis; Vasileiadou, Eugenia Savvas; Li, Xiaotong; Kanatzidis, Mercouri G.; Shekhawat, Gajendra S.; Dravid, Vinayak P.","Exploring the Factors Affecting the Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02313","","x-ray","0.71359","MoKα","","0.0216","0.0195","","","0.0465","0.0469","","","","1.72","1.72","1.69","","","","has coordinates","251020","2020-10-21","18:00:00",""
"4517595","9.9098","0.0003","16.2274","0.0005","26.3625","0.0011","90","","99.482","0.003","90","","4181.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C150 O2 S4 -","- C150 O2 S4 -","- C300 O4 S8 -","2","0.5","","Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02119","","x-ray","1.54184","CuKα","","0.1779","0.1545","","","0.3304","0.3455","","","","","","1.025","","","","has coordinates,has disorder","251021","2020-10-21","18:00:00",""
"4517596","9.9634","0.0009","10.4671","0.0008","19.4469","0.001","91.567","0.005","100.133","0.006","97.856","0.007","1975","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C153 H32 S2 -","- C153 H32 S2 -","- C153 H32 S2 -","1","0.5","","Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02119","","x-ray","1.54184","CuKα","","0.1251","0.0937","","","0.2442","0.2716","","","","","","1.048","","","","has coordinates,has disorder","251022","2020-10-21","18:00:00",""
"4517597","24.3892","0.0005","17.9795","0.0004","19.0562","0.0004","90","","102.934","0.002","90","","8144.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H14 O2 S4 -","- C72 H14 O2 S4 -","- C576 H112 O16 S32 -","8","1","","Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02119","","x-ray","1.54184","CuKα","","0.0746","0.0696","","","0.1956","0.2031","","","","","","1.069","","","","has coordinates","251023","2020-10-21","18:00:00",""
"4517598","7.7639","0.0011","9.7745","0.0015","16.044","0.003","90.123","0.007","96.248","0.006","112.826","0.006","1114.2","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","1375_diff_tol","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C46 H56 N4 O4 S2 -","2","2","","Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José","Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation","ACS Catalysis","2020","10","9","5335","5346","10.1021/acscatal.0c01413","","","0.71073","MoKα","","0.1243","0.0517","","","0.1085","0.143","","","","","","1.017","","","","has coordinates","257011","2020-10-21","18:00:00",""
"4517599","27.793","0.004","5.8115","0.0006","7.5423","0.0009","90","","92.799","0.009","90","","1216.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Na2 O5 -","- C14 H10 Na2 O5 -","- C56 H40 Na8 O20 -","4","1","","Wu, Hongwei; Gu, Long; Baryshnikov, Glib V.; Wang, Hou; Minaev, Boris F.; Agren, Hans; Zhao, Yanli","Molecular Phosphorescence in Polymer Matrix with Reversible Sensitivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04859","","","0.71073","MoKα","","0.1473","0.1066","","","0.2603","0.2888","","","","","","1.05","","","","has coordinates","251078","2020-10-21","18:00:00",""
"4517600","7.1183","0.0002","5.9626","0.0002","29.6753","0.0009","90","","90","","90","","1259.53","0.07","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","","Wu, Hongwei; Gu, Long; Baryshnikov, Glib V.; Wang, Hou; Minaev, Boris F.; Agren, Hans; Zhao, Yanli","Molecular Phosphorescence in Polymer Matrix with Reversible Sensitivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04859","","","0.71073","MoKα","","0.0656","0.0467","","","0.117","0.1317","","","","","","1.058","","","","has coordinates","251080","2020-10-21","18:00:00",""
"4517601","18.0031","0.0008","12.0358","0.0006","7.5303","0.0004","90","","99.337","0.002","90","","1610.06","0.14","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C88 H64 O12 -","4","1","","Popova, Marina; Soboleva, Tatiana; Benninghoff, Abby D.; Berreau, Lisa M.","CO Sense and Release Flavonols: Progress toward the Development of an Analyte Replacement PhotoCORM for Use in Living Cells","ACS Omega","2020","","","","","10.1021/acsomega.0c00409","","x-ray","0.71073","MoKα","","0.051","0.0398","","","0.0986","0.1054","","","","","","1.027","","","","has coordinates","251081","2020-10-21","18:00:00",""
"4517602","20.065","0.003","21.913","0.003","16.255","0.003","90","","98.773","0.005","90","","7063.5","1.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H30 F16 Fe2 N8 O -","- C74 H30 F16 Fe2 N8 O -","- C296 H120 F64 Fe8 N32 O4 -","4","1","","Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik","Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence","ACS Omega","2020","","","","","10.1021/acsomega.0c01035","","","0.7288","Synchrotron","","0.0696","0.0669","","","0.1728","0.1774","","","","","","1.082","","","","has coordinates","251082","2020-10-21","18:00:00",""
"4517603","23.636","0.002","34.02","0.003","30.888","0.003","90","","102.819","0.003","90","","24218","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.86 H16.14 Cl2.14 Cu F8 N4 O0.14 -","- C37.8571 H16.1429 Cl2.14286 Cu F8 N4 O0.142857 -","- C1060 H452 Cl60 Cu28 F224 N112 O4 -","28","7","","Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik","Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence","ACS Omega","2020","","","","","10.1021/acsomega.0c01035","","","0.7288","Synchrotron","","0.0861","0.0779","","","0.2075","0.2137","","","","","","1.034","","","","has coordinates,has disorder","251083","2020-10-21","18:00:00",""
"4517604","10.0412","0.0004","15.8623","0.0006","15.2487","0.0005","90","","91.963","0.004","90","","2427.33","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Au Cl P -","- C26 H39 Au Cl P -","- C104 H156 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0223","0.0185","","","0.0387","0.0399","","","","","","1.043","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517605","8.8317","0.0004","22.6453","0.0009","9.2451","0.0006","90","","106.967","0.006","90","","1768.51","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 F3 O3 P S -","- C13 H28 F3 O3 P S -","- C52 H112 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0866","0.0823","","","0.2221","0.2282","","","","","","1.046","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517606","7.362","0.0002","16.8285","0.0003","25.1572","0.0005","90","","90","","90","","3116.76","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 F3 O3 P S -","- C31 H52 F3 O3 P S -","- C124 H208 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0692","0.0666","","","0.1796","0.1837","","","","","","1.041","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517607","9.5","0.0002","10.6274","0.0002","18.6029","0.0004","90","","100.595","0.002","90","","1846.13","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 F3 O3 P S -","- C15 H28 F3 O3 P S -","- C60 H112 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0574","0.0522","","","0.1293","0.1341","","","","","","1.04","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517608","11.9313","0.0002","15.6446","0.0002","15.2881","0.0002","90","","109.268","0.002","90","","2693.84","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Au Cl P -","- C32 H39 Au Cl P -","- C128 H156 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0587","0.0344","","","0.0687","0.0717","","","","","","0.923","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517609","10.1139","0.0002","12.6246","0.0003","13.5249","0.0003","111.882","0.002","109.918","0.002","96.579","0.002","1447.74","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H39 P -","- C34 H39 P -","- C68 H78 P2 -","2","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0435","0.0381","","","0.1005","0.1057","","","","","","1.043","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517610","10.66","0.0003","11.355","0.0003","23.7632","0.0007","90","","100.803","0.003","90","","2825.42","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Au Cl P -","- C30 H47 Au Cl P -","- C120 H188 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0619","0.0371","","","0.0566","0.0626","","","","","","1.116","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517611","11.1508","0.0002","18.5177","0.0004","21.1099","0.0005","90","","100.488","0.002","90","","4286.1","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 F3 O3 P S -","- C21 H32 F3 O3 P S -","- C168 H256 F24 O24 P8 S8 -","8","2","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0746","0.0642","","","0.1644","0.1749","","","","","","1.039","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517612","8.7107","0.0002","9.9662","0.0003","25.5485","0.0006","90","","96.659","0.002","90","","2202.97","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31.22 Au Cl O0.11 P -","- C24 H31 Au Cl O0.11 P -","- C96 H124 Au4 Cl4 O0.44 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0208","0.0168","","","0.0322","0.0336","","","","","","1.033","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517613","11.5515","0.0002","18.5889","0.0002","17.7571","0.0002","90","","99.907","0.001","90","","3756.12","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.9 H35.8 Cl1.8 F3 O3 P S -","- C40.9 H35.8 Cl1.8 F3 O3 P S -","- C163.6 H143.2 Cl7.2 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0726","0.0701","","","0.1794","0.1818","","","","","","1.026","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517614","10.0872","0.0003","14.0744","0.0006","16.7016","0.0005","78.85","0.003","81.86","0.002","78.924","0.003","2269.59","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H68 Au2 Cl2 P2 -","- C47 H68 Au2 Cl2 P2 -","- C94 H136 Au4 Cl4 P4 -","2","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0462","0.0285","","","0.0483","0.0539","","","","","","1.034","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517615","10.0134","0.0002","14.7285","0.0003","15.0955","0.0003","90","","92.029","0.002","90","","2224.92","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Au Cl P -","- C24 H35 Au Cl P -","- C96 H140 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0355","0.0249","","","0.0467","0.0506","","","","","","1.054","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517616","17.478","0.0003","10.4898","0.0002","17.7113","0.0004","90","","99.9348","0.0018","90","","3198.51","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 F3 O3 P S -","- C11 H24 F3 O3 P S -","- C88 H192 F24 O24 P8 S8 -","8","2","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0388","0.0326","","","0.0852","0.0902","","","","","","1.02","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4517617","10.7821","0.0003","20.369","0.0004","11.1066","0.0003","90","","106.794","0.003","90","","2335.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Au Cl P -","- C26 H35 Au Cl P -","- C104 H140 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0188","0.0177","","","0.0428","0.0433","","","","","","1.081","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517618","19.023","0.004","8.5687","0.0017","21.327","0.004","90","","113.37","0.03","90","","3191.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 N3 O2 P Ru -","- C33 H46 N3 O2 P Ru -","- C132 H184 N12 O8 P4 Ru4 -","4","1","","Kar, Sayan; Rauch, Michael; Kumar, Amit; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Selective Room-Temperature Hydrogenation of Amides to Amines and Alcohols Catalyzed by a Ruthenium Pincer Complex and Mechanistic Insight","ACS Catalysis","2020","","","5511","5515","10.1021/acscatal.0c01406","","","0.71073","MoKα","","0.0465","0.0343","","","0.0806","0.0868","","","","","","1.09","","","","has coordinates","257049","2020-10-21","18:00:00",""
"4517619","11.41","0.0004","38.9819","0.0012","18.2057","0.0007","90","","97.329","0.003","90","","8031.4","0.5","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Br2 N4 Ni -","- C90 H80 Br2 N4 Ni -","- C360 H320 Br8 N16 Ni4 -","4","1","","Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups","ACS Omega","2020","","","","","10.1021/acsomega.0c01208","","","0.71073","MoKα","","0.1336","0.0859","","","0.1759","0.1933","","","","","","1.063","","","","has coordinates","251217","2020-10-21","18:00:00",""
"4517620","15.6936","0.0004","18.8357","0.0005","14.8346","0.0007","90","","92.195","0.003","90","","4381.9","0.3","170.01","0.1","170.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Br2 F N2 Ni O -","- C43 H37 Br2 F N2 Ni O -","- C172 H148 Br8 F4 N8 Ni4 O4 -","4","1","","Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups","ACS Omega","2020","","","","","10.1021/acsomega.0c01208","","x-ray","0.71073","MoKα","","0.1089","0.0615","","","0.1333","0.1496","","","","","","1.04","","","","has coordinates","251217","2020-10-21","18:00:00",""
"4517621","24.49","0.004","31.655","0.005","8.3979","0.0012","90","","90","","90","","6510.3","1.7","100","","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C23 H16 Br Cl Eu N3 O7 -","- C23 H16 Br Cl Eu N3 O7 -","- C184 H128 Br8 Cl8 Eu8 N24 O56 -","8","1","","Gupta, Kritika; Patra, Ashis K.","Luminescent Europium(III) 'Turn-ON' Sensor for G-series Chemical Warfare Simulants: A Mechanistic Investigation.","ACS sensors","2020","","","","","10.1021/acssensors.9b02552","","","0.71073","MoKα","","0.0815","0.0584","","","0.1369","0.1515","","","","","","1.029","","","","has coordinates","251218","2020-10-21","18:00:00",""
"4517622","14.6776","0.0005","20.6265","0.0007","62.33","0.002","90","","90","","90","","18870.3","1.1","297","2","297.58","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 Zn -","- C42 H76 Cl4 N2 Zn -","- C672 H1216 Cl64 N32 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.114","0.0553","","","0.0969","0.118","","","","","","1.028","","","","has coordinates","251272","2020-10-21","18:00:00",""
"4517623","14.0801","0.0003","20.5166","0.0004","62.5674","0.0012","90","","90","","90","","18074.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 O0.13 Zn -","- C42 H76 Cl4 N2 O0.133 Zn -","- C672 H1216 Cl64 N32 O2.128 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.0772","0.0481","","","0.09","0.0997","","","","","","1.043","","","","has coordinates","251273","2020-10-21","18:00:00",""
"4517624","7.9914","0.0002","19.2773","0.0006","12.1358","0.0003","90","","90.712","0.002","90","","1869.41","0.09","292.8","0.4","292.8","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","2","","Zhang, Hongkui; Jiang, Chunhui; Tan, Jian-Ping; Hu, Hui-Lin; Chen, Yayun; Ren, Xiaoyu; Zhang, Hong-Su; Wang, Tianli","Highly Enantioselective Construction of Fully Substituted Stereocenters Enabled by In Situ Phosphonium-Containing Organocatalysis","ACS Catalysis","2020","","","5698","5706","10.1021/acscatal.0c01079","","x-ray","1.54184","CuKα","","0.0552","0.0534","","","0.1395","0.1434","","","","","","1.051","","","","has coordinates","257034","2020-10-21","18:00:00",""
"4517625","24.3244","0.0009","12.278","0.0005","17.7756","0.0006","90","","112.772","0.002","90","","4895","0.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Br1.25 Cu I N3 O -","- C24 H19 Br1.25 Cu I N3 O -","- C192 H152 Br10 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1382","0.1034","","","0.2692","0.2998","","","","","","1.035","","","","has coordinates","251395","2020-10-21","18:00:00",""
"4517626","25.122","0.003","11.9422","0.0011","17.937","0.002","90","","113.817","0.005","90","","4923","0.9","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cl4 Cu2 I2 N6 O2 -","- C48 H42 Cl4 Cu2 I2 N6 O2 -","- C192 H168 Cl16 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1486","","","","","","1.094","","","","has coordinates","251396","2020-10-21","18:00:00",""
"4517627","23.8568","0.0009","12.7232","0.0005","17.6759","0.0007","90","","112.562","0.002","90","","4954.6","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cu I N3 O -","- C29 H24 Cu I N3 O -","- C232 H192 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.0633","0.0457","","","0.1227","0.1341","","","","","","1.074","","","","has coordinates","251397","2020-10-21","18:00:00",""
"4517628","12.5064","0.0012","13.6759","0.0012","17.512","0.0016","109.965","0.004","89.613","0.004","114.963","0.004","2518.8","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 Cu2 I2 N8 O2 -","- C56 H48 Cu2 I2 N8 O2 -","- C112 H96 Cu4 I4 N16 O4 -","2","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.073","0.0477","","","0.0973","0.1148","","","","","","1.109","","","","has coordinates","251398","2020-10-21","18:00:00",""
"4517629","24.6615","0.0009","12.0846","0.0005","18.0322","0.0007","90","","113.58","0.002","90","","4925.3","0.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl2 Cu I N3 O -","- C23 H19 Cl2 Cu I N3 O -","- C184 H152 Cl16 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1354","0.1075","","","0.2353","0.2519","","","","","","1.157","","","","has coordinates","251399","2020-10-21","18:00:00",""
"4517630","24.184","0.01","12.642","0.006","17.903","0.008","90","","113.189","0.004","90","","5031","4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Cu I N3 O2 -","- C22 H17 Cu I N3 O2 -","- C176 H136 Cu8 I8 N24 O16 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1894","0.0729","","","0.203","0.2534","","","","","","1.023","","","","has coordinates,has disorder","251400","2020-10-21","18:00:00",""
"4517631","18.18","0.002","11.85","0.001","24.082","0.003","90","","109.299","0.008","90","","4896.5","0.9","100","2","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C24 H22 Cu I N3 O3 -","- C24 H22 Cu I N3 O3 -","- C192 H176 Cu8 I8 N24 O24 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1494","0.1348","","","0.2927","0.3017","","","","","","1.168","","","","has coordinates","251401","2020-10-21","18:00:00",""
"4517632","23.576","0.0019","12.8738","0.0011","17.7114","0.0014","90","","110.88","0.002","90","","5022.6","0.7","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H45 Cu2 I2 N7 O2 -","- C56 H45 Cu2 I2 N7 O2 -","- C224 H180 Cu8 I8 N28 O8 -","4","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1322","0.0817","","","0.1677","0.2034","","","","","","1.091","","","","has coordinates","251402","2020-10-21","18:00:00",""
"4517633","23.696","0.004","12.9253","0.0019","17.71","0.003","90","","111.762","0.002","90","","5037.6","1.4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu I N3 O -","- C28 H22 Cu I N3 O -","- C224 H176 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.081","0.0641","","","0.1358","0.1507","","","","","","1.071","","","","has coordinates","251403","2020-10-21","18:00:00",""
"4517634","24.2935","0.0009","12.633","0.0005","17.7632","0.0006","90","","113.007","0.001","90","","5017.9","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H22.64 Cu I N4 O -","- C29 H22.6416 Cu I N4 O -","- C232 H181.133 Cu8 I8 N32 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.0779","0.0662","","","0.1755","0.1907","","","","","","1.047","","","","has coordinates,has disorder","251404","2020-10-21","18:00:00",""
"4517635","23.918","0.0009","12.742","0.0005","17.8041","0.0007","90","","112.848","0.002","90","","5000.3","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Cl1.5 Cu I N3 O -","- C28 H21 Cl1.5 Cu I N3 O -","- C224 H168 Cl12 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1017","0.0812","","","0.2275","0.256","","","","","","1.035","","","","has coordinates","251405","2020-10-21","18:00:00",""
"4517636","12.166","0.004","13.376","0.005","18.035","0.005","68.76","0.02","74.17","0.02","66.27","0.02","2476.3","1.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 Cl6 Cu2 I2 N6 O2 -","- C46 H35 Cl6 Cu2 I2 N6 O2 -","- C92 H70 Cl12 Cu4 I4 N12 O4 -","2","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.203","0.1083","","","0.2767","0.3533","","","","","","1.228","","","","has coordinates","251406","2020-10-21","18:00:00",""
"4517637","24.282","0.003","12.437","0.0014","17.961","0.002","90","","112.1","0.004","90","","5025.6","1","109","2","108.77","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H15.95 Cl4 Cu I N3 O -","- C23 H15.947 Cl4 Cu I N3 O -","- C184 H127.576 Cl32 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1089","0.0983","","","0.2325","0.2385","","","","","","1.266","","","","has coordinates,has disorder","251407","2020-10-21","18:00:00",""
"4517638","5.383","0.003","12.923","0.007","43.54","0.02","90","","90","","90","","3029","3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H8 N28 O14 -","- C16 H8 N28 O14 -","- C64 H32 N112 O56 -","4","1","","Zhai, Lianjie; Bi, Fuqiang; Zhang, Junlin; Zhang, Jiarong; Li, Xiangzhi; Wang, Bozhou; Chen, Sanping","3,4-Bis(3-tetrazolylfuroxan-4-yl)furoxan: A Linear C-C Bonded Pentaheterocyclic Energetic Material with High Heat of Formation and Superior Performance.","ACS omega","2020","5","19","11115","11122","10.1021/acsomega.0c01048","","","0.71073","MoKα","","0.0707","0.0432","","","0.0899","0.0993","","","","","","0.99","","","","has coordinates","252590","2020-10-21","18:00:00",""
"4517639","13.5688","0.0014","11.1801","0.001","11.1208","0.001","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C20 H32 -","- C20 H32 -","- C80 H128 -","4","1","","Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying","Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts","ACS Catalysis","2020","10","10","5846","5851","10.1021/acscatal.0c01575","","","1.54184","CuKα","","0.0756","0.053","","","0.1274","0.1488","","","","","","1.026","","","","has coordinates","256989","2020-10-21","18:00:00",""
"4517640","6.6642","0.0004","7.7286","0.0005","15.5866","0.001","90","","95.532","0.002","90","","799.05","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C38 H36 Br2 N2 O2 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0307","0.0263","","","0.0529","0.054","","","","","","0.998","","","","has coordinates","251749","2020-10-21","18:00:00",""
"4517641","6.4745","0.0005","6.9054","0.0005","18.0777","0.0014","90","","99.293","0.002","90","","797.63","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C38 H32 Br2 N2 O4 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0229","0.0217","","","0.0518","0.0661","","","","","","1.09","","","","has coordinates","251750","2020-10-21","18:00:00",""
"4517642","10.509","0.002","8.293","0.002","15.916","0.003","90","0.03","93.31","0.03","90","0.03","1384.8","0.5","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","2","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","1.34139","GaKα","","0.0468","0.0406","","","0.1387","0.1586","","","","","","0.694","","","","has coordinates","251811","2020-10-21","18:00:00",""
"4517643","10.274","0.002","8.37","0.002","16.094","0.003","90","0.03","93.1","0.03","90","0.03","1382","0.5","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","1.34139","GaKα","","0.1462","0.1345","","","0.2601","0.2654","","","","","","1.115","","","","has coordinates","251812","2020-10-21","18:00:00",""
"4517644","11.5544","0.0005","19.6985","0.0007","14.4539","0.0006","90","","100.545","0.002","90","","3234.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N6 -","- C40 H34.998 N6 -","- C160 H139.992 N24 -","4","1","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","0.71073","MoKα","","0.1464","0.1275","","","0.2778","0.2863","","","","","","1.183","","","","has coordinates,has disorder","251813","2020-10-21","18:00:00",""
"4517645","25.7273","0.0012","25.7273","0.0012","25.9151","0.001","90","","90","","120","","14855","1.1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40.33 H36.67 Cl0.67 N6 -","- C40.33 H36 Cl0.666667 N6 -","- C725.94 H648 Cl12 N108 -","18","1","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","0.71073","MoKα","","0.1363","0.1035","","","0.2221","0.2372","","","","","","1.164","","","","has coordinates,has disorder","251814","2020-10-21","18:00:00",""
"4517646","21.1057","0.0012","7.7008","0.0005","12.7349","0.0007","90","","106.92","0.002","90","","1980.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 B2 N2 -","- C52 H44 B2 N2 -","- C104 H88 B4 N4 -","2","0.5","","Hsieh, Chia-Min; Wu, Tien-Lin; Jayakumar, Jayachandran; Wang, Ying-Chun; Ko, Chang-Lun; Hung, Wen-Yi; Lin, Tzu-Chieh; Wu, Hsin-Hui; Lin, Kuan-Heng; Lin, Cheng-Hung; Hsieh, Shuchen; Cheng, Chien-Hong","Diboron-based Delayed Fluorescent Emitters with Orange-to-red Emission and Superior OLEDs Efficiency.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03711","","","0.71073","MoKα","","0.0811","0.05","","","0.1317","0.1491","","","","","","1.002","","","","has coordinates","251847","2020-10-21","18:00:00",""
"4517647","15.601","0.004","8.0342","0.0018","17.108","0.004","90","","93.21","0.007","90","","2141","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O2 Ru -","- C25 H22 Cl N3 O2 Ru -","- C100 H88 Cl4 N12 O8 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0211","0.019","","","0.0508","0.0525","","","","","","1.069","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517648","15.3365","0.001","8.0892","0.0006","17.0781","0.0014","90","","93.968","0.002","90","","2113.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O Ru -","- C25 H22 Cl N3 O Ru -","- C100 H88 Cl4 N12 O4 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0273","0.0224","","","0.054","0.0565","","","","","","1.026","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517649","34.0106","0.0013","12.5712","0.0005","20.0181","0.0008","90","","123.395","0.001","90","","7145.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H41 Cl3 N4 O2.5 Ru2 -","- C35.5 H39.4997 Cl3 N4 O2.4999 Ru2 -","- C284 H315.998 Cl24 N32 O19.9992 Ru16 -","8","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0447","0.0313","","","0.0724","0.0788","","","","","","1.02","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517650","18.414","0.002","16.071","0.002","7.6248","0.0011","90","","97.453","0.004","90","","2237.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C102 H98 Cl4 N18 O6 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0424","0.0296","","","0.0597","0.0639","","","","","","1.023","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517651","16.1983","0.0015","6.9475","0.0007","18.7656","0.0017","90","","94.386","0.003","90","","2105.7","0.3","110","2","110","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H24 Fe K2 N3 O13 -","- C14 H24 Fe K2 N3 O13 -","- C56 H96 Fe4 K8 N12 O52 -","4","1","","Waters, Scott E.; Robb, Brian H.; Marshak, Michael P.","Effect of Chelation on Iron‒Chromium Redox Flow Batteries","ACS Energy Letters","2020","","","1758","1762","10.1021/acsenergylett.0c00761","","","0.71073","MoKα","","0.0359","0.0315","","","0.0768","0.0793","","","","","","1.136","","","","has coordinates","257082","2020-10-21","18:00:00",""
"4517652","11.0421","0.0002","24.1416","0.0004","24.0743","0.0004","90","","90.606","0.001","90","","6417.22","0.19","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cl5 N2 P4 Sb -","- C72 H60 Cl5 N2 P4 Sb -","- C288 H240 Cl20 N8 P16 Sb4 -","4","1","","He, Qingquan; Zhou, Chenkun; Xu, Liangjin; Lee, Sujin; Lin, Xinsong; Neu, Jennifer; Worku, Michael; Chaaban, Maya; Ma, Biwu","Highly Stable Organic Antimony Halide Crystals for X-ray Scintillation","ACS Materials Letters","2020","2","6","633","638","10.1021/acsmaterialslett.0c00133","","x-ray","0.71073","MoKα","","0.047","0.0346","","","0.084","0.0881","","","","","","1.086","","","","has coordinates","257088","2020-10-21","18:00:00",""
"4517653","7.4599","0.0001","21.2716","0.0002","31.6447","0.0003","90","","90","","90","","5021.51","0.1","90.15","","90.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 O4 Si -","- C14 H28 O4 Si -","- C168 H336 O48 Si12 -","12","3","","Yoshikawa, Yusuke; Ishibashi, Airi; Takehara, Tsunayoshi; Suzuki, Takeyuki; Murai, Kenichi; Kaneda, Yasufumi; Nimura, Keisuke; Arisawa, Mitsuhiro","Design and Synthesis of 1,2-Deoxy-pyranose Derivatives of Spliceostatin A toward Prostate Cancer Treatment","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00153","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.0865","0.0876","","","","","","1.047","","","","has coordinates","251982","2020-10-21","18:00:00",""
"4517654","7.801","0.004","12.152","0.006","15.317","0.008","90","","102.595","0.014","90","","1417.1","1.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O2 P2 Se4 -","- C28 H26 O2 P2 Se4 -","- C56 H52 O4 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0893","0.0676","","","0.1573","0.1738","","","","","","1.029","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517655","9.3324","0.0013","9.3983","0.0007","12.8393","0.0014","70.724","0.011","88.5","0.014","64.524","0.008","950.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","1","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0259","0.0221","","","0.0567","0.0576","","","","","","1.072","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517656","7.22","0.002","14.28","0.005","13.986","0.004","90","","98.244","0.007","90","","1427.1","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O4 P2 Se4 -","- C28 H22 O4 P2 Se4 -","- C56 H44 O8 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.1034","0.0427","","","0.0775","0.0875","","","","","","0.897","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517657","7.495","0.004","7.59","0.004","12.69","0.006","95.836","0.013","96.199","0.007","107.677","0.014","676.9","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N2 O2 Se -","- C16 H12 N2 O2 Se -","- C32 H24 N4 O4 Se2 -","2","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0672","0.0475","","","0.1081","0.13","","","","","","0.989","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517658","9.609","0.0012","23.648","0.003","11.5281","0.0014","90","","101.559","0.003","90","","2566.4","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl2 N2 P Se2 -","- C25 H25 Cl2 N2 P Se2 -","- C100 H100 Cl8 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0264","0.0213","","","0.0509","0.0525","","","","","","1.034","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517659","11.336","0.002","9.2316","0.0016","20.825","0.004","90","","98.573","0.005","90","","2155","0.7","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0768","0.0512","","","0.1287","0.1454","","","","","","1.121","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517660","12.7802","0.0014","12.2729","0.0014","14.4466","0.0019","90","","105.094","0.003","90","","2187.8","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0351","0.0248","","","0.0566","0.0602","","","","","","1.013","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517661","14.79","0.002","8.9919","0.001","18.129","0.003","90","","108.719","0.004","90","","2283.4","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N2 P Se2 -","- C24 H25 N2 P Se2 -","- C96 H100 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0328","0.0231","","","0.0527","0.0562","","","","","","1.021","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517662","22.0548","0.0005","8.5264","0.0002","6.69588","0.00017","90","","90","","90","","1259.15","0.05","274","","274","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","0.25","","Uekusa, Tomoki; Sato, Ryonosuke; Yoo, Dongho; Kawamoto, Tadashi; Mori, Takehiko","Transistor Characteristics of Charge-Transfer Complexes Observed across a Neutral-Ionic Transition.","ACS applied materials & interfaces","2020","12","21","24174","24183","10.1021/acsami.0c03898","","","1.54187","CuKα","","0.1143","0.0611","","","0.1635","0.2204","","","","","","0.998","","","","has coordinates,has disorder","252587","2020-10-21","18:00:00",""
"4517663","11.43","0.0006","11.4436","0.0006","12.7817","0.0006","111.421","0.002","109.215","0.002","94.014","0.002","1434.85","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N2 O9 Zn -","- C32 H25 N2 O9 Zn -","- C64 H50 N4 O18 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0576","0.0443","","","0.1153","0.1234","","","","","","1.042","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517664","11.509","0.006","12.032","0.006","12.314","0.004","113.678","0.014","104.048","0.01","90.19","0.02","1505.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O7 Zn -","- C32 H30 N2 O7 Zn -","- C64 H60 N4 O14 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0835","0.0646","","","0.1849","0.2041","","","","","","0.988","","","","has coordinates,has disorder","252588","2020-10-21","18:00:00",""
"4517665","29.1423","0.0011","5.7957","0.0002","18.3519","0.0006","90","","102.93","0.001","90","","3021.04","0.18","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 F3 N O2 Zn0.5 -","- C16 H11 F3 N O2 Zn0.5 -","- C128 H88 F24 N8 O16 Zn4 -","8","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0766","0.0512","","","0.1325","0.1475","","","","","","1.04","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517666","8.2776","0.0003","9.6847","0.0004","20.7439","0.0009","97.158","0.002","92.395","0.002","114.431","0.001","1494.22","0.11","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N3 O6 Zn -","- C32 H29 N3 O6 Zn -","- C64 H58 N6 O12 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0824","0.0464","","","0.0981","0.1103","","","","","","1.028","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517667","9.5875","0.0006","5.6958","0.0004","16.0243","0.0011","90","","97.841","0.002","90","","866.88","0.1","293","2","293.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H8 N O2 Zn0.5 -","- C8 H8 N O2 Zn0.5 -","- C32 H32 N4 O8 Zn2 -","4","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0544","0.0501","","","0.1496","0.1534","","","","","","1.131","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517668","7.8226","0.0004","12.6076","0.0006","13.0421","0.0007","84.483","0.002","85.003","0.002","76.073","0.001","1239.94","0.11","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O9 Zn -","- C27 H23 N O9 Zn -","- C54 H46 N2 O18 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0325","0.0277","","","0.0684","0.0709","","","","","","1.052","","","","has coordinates,has disorder","252588","2020-10-21","18:00:00",""
"4517669","7.9189","0.0008","12.9658","0.0014","16.808","0.0017","103.514","0.004","99.627","0.004","97.373","0.004","1628.9","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N O12 Zn1.5 -","- C36 H24 N O12 Zn1.5 -","- C72 H48 N2 O24 Zn3 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0955","0.0558","","","0.1651","0.1925","","","","","","1.076","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517670","7.6701","0.0005","11.3348","0.0008","15.8956","0.0012","76.693","0.003","84.984","0.002","73.199","0.002","1287.11","0.16","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C56 H44 N4 O16 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0557","0.0344","","","0.0667","0.0723","","","","","","1.047","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517671","7.95","0.04","15.86","0.07","21.62","0.09","71.45","0.08","80.84","0.07","79.61","0.08","2527","2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H37 N2 O16 Zn2 -","- C52 H37 N2 O16 Zn2 -","- C104 H74 N4 O32 Zn4 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.2029","0.0658","","","0.0954","0.124","","","","","","0.986","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517672","13.7862","0.0002","21.4855","0.0003","21.9569","0.0003","90","","94.382","0.001","90","","6484.7","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H105 Fe2 N5 -","- C67 H105 Fe2 N5 -","- C268 H420 Fe8 N20 -","4","1","","Gasperini, Danila; King, Andrew K.; Coles, Nathan T.; Mahon, Mary F.; Webster, Ruth L.","Seeking Heteroatom-Rich Compounds: Synthetic and Mechanistic Studies into Iron Catalyzed Dehydrocoupling of Silanes","ACS Catalysis","2020","","","6102","6112","10.1021/acscatal.0c01440","","x-ray","1.54184","CuKα","","0.0571","0.0416","","","0.0971","0.1039","","","","","","1.016","","","","has coordinates,has disorder","257017","2020-10-21","18:00:00",""
"4517673","14.2654","0.0007","3.6291","0.0002","17.9154","0.0009","90","","108.205","0.002","90","","881.06","0.08","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H7 N11 O2 -","- C3 H7 N11 O2 -","- C12 H28 N44 O8 -","4","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0588","0.041","","","0.0855","0.0937","","","","","","1.019","","","","has coordinates","252131","2020-10-21","18:00:00",""
"4517674","7.3142","0.0014","6.1257","0.0012","9.7254","0.0018","90","","108.356","0.004","90","","413.57","0.14","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 N9 O4 -","- C3 H5 N9 O4 -","- C6 H10 N18 O8 -","2","0.5","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0987","0.0488","","","0.126","0.1483","","","","","","0.994","","","","has coordinates","252132","2020-10-21","18:00:00",""
"4517675","3.9941","0.0003","6.9994","0.0005","7.9791","0.0006","76.766","0.002","76.857","0.003","79.825","0.003","209.62","0.03","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C3 H6 N10 O3 -","- C3 H6 N10 O3 -","- C3 H6 N10 O3 -","1","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0616","0.0417","","","0.0856","0.0956","","","","","","1.02","","","","has coordinates","252133","2020-10-21","18:00:00",""
"4517676","3.9372","0.0001","6.0659","0.0002","33.8775","0.0008","90","","92.5425","0.001","90","","808.29","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 N10 O -","- C3 H6 N10 O -","- C12 H24 N40 O4 -","4","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","1.54178","CuKα","","0.0477","0.0379","","","0.0869","0.0919","","","","","","1.131","","","","has coordinates","252134","2020-10-21","18:00:00",""
"4517677","11.20707","0.0001","5.82419","0.00004","12.84587","0.00011","90","","104.996","0.0009","90","","809.923","0.012","100.3","0.6","100.3","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.022","0.0214","","","0.0551","0.0554","","","","","","1.0592","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517678","5.76988","0.00007","11.91662","0.00014","21.9056","0.0002","90","","90","","90","","1506.17","0.03","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0665","0.0667","","","","","","1.0842","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517679","8.914","0.0002","9.962","0.0002","25.5372","0.0005","99.6539","0.0008","90.2718","0.0008","101.92","0.0008","2185.59","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H62 N4 S3 -","- C46 H62 N4 S3 -","- C92 H124 N8 S6 -","2","1","","Vegiraju, Sureshraju; Torimtubun, Alfonsina Abat Amelenan; Lin, Po-Shen; Tsai, Hsin-Chia; Lien, Wei-Chieh; Chen, Cheng-Shiun; He, Guan-Yu; Lin, Chih-Yu; Zheng, Ding; Huang, Yi-Fan; Wu, Yi-Ching; Yau, Shuehlin; Lee, Gene-Hsiang; Tung, Shih-Huang; Wang, Chien-Lung; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio","Solution Processable Quinoidal Dithioalkylterthiophene Based Small Molecules-Pseudo Pentathienoacenes via Intramolecular S⋯S Lock for High Performance n-type Organic Field Effect Transistors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03477","","","1.54178","CuKα","","0.0371","0.0326","","","0.0815","0.0859","","","","","","1.015","","","","has coordinates","252173","2020-10-21","18:00:00",""
"4517680","8.6465","0.0002","9.1137","0.0002","29.1267","0.0006","95.6826","0.0007","98.3893","0.0007","95.2272","0.0007","2246.49","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H62 N4 S5 -","- C46 H62 N4 S5 -","- C92 H124 N8 S10 -","2","1","","Vegiraju, Sureshraju; Torimtubun, Alfonsina Abat Amelenan; Lin, Po-Shen; Tsai, Hsin-Chia; Lien, Wei-Chieh; Chen, Cheng-Shiun; He, Guan-Yu; Lin, Chih-Yu; Zheng, Ding; Huang, Yi-Fan; Wu, Yi-Ching; Yau, Shuehlin; Lee, Gene-Hsiang; Tung, Shih-Huang; Wang, Chien-Lung; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio","Solution Processable Quinoidal Dithioalkylterthiophene Based Small Molecules-Pseudo Pentathienoacenes via Intramolecular S⋯S Lock for High Performance n-type Organic Field Effect Transistors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03477","","","1.54178","CuKα","","0.0335","0.0303","","","0.0757","0.079","","","","","","1.069","","","","has coordinates","252174","2020-10-21","18:00:00",""
"4517681","28.3898","0.0014","28.3898","0.0014","40.953","0.002","90","","90","","90","","33007","3","200","2","200","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C248 H112 Cr24 N24 O104 -","- C248 H112 Cr24 N24 O104 -","- C496 H224 Cr48 N48 O208 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2593","0.1929","","","0.4657","0.5391","","","","","","2.11","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517682","35.33","0.0013","36.5192","0.0013","45.1327","0.0016","90","","90.828","0.002","90","","58225","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C372 H246 Cu24 N24 O142 -","- C372 H246 Cu24 N24 O142 -","- C1488 H984 Cu96 N96 O568 -","4","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2294","0.1764","","","0.4539","0.5356","","","","","","2.037","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517683","40.7308","0.0019","40.7308","0.0019","38.796","0.002","90","","90","","120","","55740","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C360 H210 Mo24 N24 O108 -","- C360 H210 Mo24 N24 O108 -","- C1080 H630 Mo72 N72 O324 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0981","","","0.2619","0.3181","","","","","","1.034","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517684","26.9144","0.0009","28.3903","0.0009","33.0223","0.0011","112.573","0.002","110.846","0.002","91.041","0.002","21421.3","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C382 H216 Cu24 N24 O144 -","- C382 H216 Cu24 N24 O144 -","- C382 H216 Cu24 N24 O144 -","1","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1785","0.1385","","","0.3842","0.4418","","","","","","1.814","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517685","36.2688","0.0006","36.2688","0.0006","53.74","0.0009","90","","90","","120","","61220.2","1.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C396 H420 Cu24 N54 O162 -","- C396 H420 Cu24 N54 O162 -","- C1188 H1260 Cu72 N162 O486 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.0916","0.0813","","","0.2401","0.2638","","","","","","1.033","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517686","28.327","0.002","28.327","0.002","40.322","0.003","90","","90","","90","","32355","4","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H216 Cu24 N24 O120 -","- C360 H216 Cu24 N24 O120 -","- C720 H432 Cu48 N48 O240 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2297","0.2041","","","0.5532","0.5806","","","","","","2.947","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517687","35.7322","0.0016","35.7322","0.0016","53.462","0.003","90","","90","","120","","59115","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Cu24 N36 O138 -","- C336 H324 Cu24 N36 O138 -","- C1008 H972 Cu72 N108 O414 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0995","","","0.2741","0.3082","","","","","","1.142","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517688","28.755","0.006","36.718","0.007","37.195","0.007","90","","102.779","0.008","90","","38299","13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C338 H192 Cu24 N24 O158 -","- C338 H192 Cu24 N24 O158 -","- C676 H384 Cu48 N48 O316 -","2","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","0.71073","MoKα","","0.2359","0.1424","","","0.3741","0.4389","","","","","","1.394","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517689","14.47472","0.00015","19.26","0.0002","23.9417","0.0003","107.115","0.001","90.4073","0.0008","98.3956","0.0009","6301.75","0.13","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C66 H50 B F24 Ir P2 -","- C66 H50 B F24 Ir P2 -","- C264 H200 B4 F96 Ir4 P8 -","4","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0331","0.0296","","","0.0692","0.0713","","","","","","1.018","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517690","12.17636","0.00016","38.6268","0.0005","12.77708","0.00018","90","","100.256","0.0013","90","","5913.47","0.14","100.4","0.8","100.4","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H51 B F24 Ir O0.5 P2 -","- C58 H51 B F24 Ir O0.5 P2 -","- C232 H204 B4 F96 Ir4 O2 P8 -","4","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0391","0.0358","","","0.0689","0.07","","","","","","1.042","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517691","12.9847","0.0002","16.3076","0.0003","19.9591","0.0003","95.5387","0.0014","104.592","0.0014","92.1533","0.0014","4062.5","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 B F24 Ir P2 -","- C88 H78 B F24 Ir P2 -","- C176 H156 B2 F48 Ir2 P4 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0345","0.0293","","","0.0606","0.0628","","","","","","1.02","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517692","13.0737","0.0002","23.7759","0.0003","28.1916","0.0004","90","","99.78","0.001","90","","8635.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H60 B F42 Ir P2 -","- C88 H60 B F42 Ir P2 -","- C352 H240 B4 F168 Ir4 P8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0653","0.0566","","","0.1202","0.1239","","","","","","1.136","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517693","18.33896","0.00013","13.16861","0.00012","38.4041","0.0003","90","","91.6412","0.0006","90","","9270.73","0.13","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H44 B Cl2 F60 Ir P2 -","- C89 H44 B Cl2 F60 Ir P2 -","- C356 H176 B4 Cl8 F240 Ir4 P8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0473","0.0409","","","0.0827","0.0852","","","","","","1.103","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517694","42.4084","0.0004","13.6051","0.0001","7.6568","0.0001","90","","90","","90","","4417.75","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H44 O2 -","- C25 H44 O2 -","- C200 H352 O16 -","8","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0857","0.0871","","","","","","1.048","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517695","12.55791","0.00014","11.2147","0.0001","14.01011","0.00016","90","","107.532","0.0012","90","","1881.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H64 O3 Si -","- C42 H64 O3 Si -","- C84 H128 O6 Si2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0353","0.0322","","","0.0754","0.077","","","","","","1.057","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517696","12.21766","0.00011","7.39922","0.00009","12.74257","0.00013","90","","95.6028","0.0009","90","","1146.44","0.02","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H44 O3 -","- C25 H44 O3 -","- C50 H88 O6 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0345","0.0321","","","0.0807","0.0828","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517697","7.6128","0.0002","9.7121","0.0003","87.346","0.002","90","","90.272","0.003","90","","6458","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C24 H42 O2 -","- C24 H42 O2 -","- C288 H504 O24 -","12","3","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0589","0.0476","","","0.1143","0.1275","","","","","","1.057","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517698","7.7735","0.0001","12.2996","0.0001","16.9155","0.0001","90","","90","","90","","1617.31","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0321","0.0307","","","0.0792","0.0804","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517699","11.88006","0.00007","21.74657","0.00012","14.12314","0.00009","90","","97.1277","0.0006","90","","3620.52","0.04","99.97","0.1","99.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Ir P2 Si -","- C42 H49 Ir P2 Si -","- C168 H196 Ir4 P8 Si4 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0195","0.0188","","","0.0462","0.0465","","","","","","1.044","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517700","12.3828","0.0003","15.2107","0.0005","16.6665","0.0005","64.281","0.003","83.752","0.002","70.114","0.003","2656.74","0.16","100.1","0.6","100.1","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C48 H23 F36 Ir P2 -","- C48 H23 F36 Ir P2 -","- C96 H46 F72 Ir2 P4 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0605","0.0433","","","0.1008","0.1119","","","","","","1.027","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517701","13.9408","0.0004","14.1616","0.0004","16.2996","0.0005","102.527","0.003","94.566","0.003","101.595","0.003","3051.57","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H37 F36 Ir P2 Si -","- C54 H37 F36 Ir P2 Si -","- C108 H74 F72 Ir2 P4 Si2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.045","0.0373","","","0.0868","0.0912","","","","","","1.036","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517702","9.2013","0.0003","11.6473","0.0003","12.4438","0.0003","62.798","0.003","76.382","0.002","76.134","0.002","1139.24","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 F9 P -","- C24 H18 F9 P -","- C48 H36 F18 P2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0708","0.0653","","","0.1666","0.172","","","","","","1.07","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517703","10.822","0.004","8.919","0.003","19.088","0.007","90","","105.07","0.05","90","","1779","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl Cu N3 O4 -","- C19 H18 Cl Cu N3 O4 -","- C76 H72 Cl4 Cu4 N12 O16 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.0907","0.0596","","","0.1251","0.1436","","","","","","1.078","","","","has coordinates","252354","2020-10-21","18:00:00",""
"4517704","9.873","0.002","12.958","0.003","8.353","0.002","90","","90","","90","","1068.6","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C44 H52 N12 O4 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.1154","0.0483","","","0.0654","0.0869","","","","","","0.956","","","","has coordinates","252356","2020-10-21","18:00:00",""
"4517705","5.7635","0.0013","24.996","0.006","8.917","0.002","90","","97.92","0.02","90","","1272.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.2462","0.0938","","","0.1592","0.2273","","","","","","0.996","","","","has coordinates","252357","2020-10-21","18:00:00",""
"4517706","14.5173","0.0005","22.1551","0.0009","11.8658","0.0004","90","","106.121","0.002","90","","3666.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 In N2 O Si2 -","- C31 H61 In N2 O Si2 -","- C124 H244 In4 N8 O4 Si8 -","4","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0589","0.0446","","","0.0741","0.0771","","","","","","1.24","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517707","16.279","0.003","23.517","0.004","37.715","0.006","90","","97.103","0.002","90","","14328","4","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H59 In N2 O Si2 -","- C31 H59 In N2 O Si2 -","- C496 H944 In16 N32 O16 Si32 -","16","4","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","x-ray","0.71073","MoKα","","0.0952","0.0524","","","0.0859","0.0981","","","","","","1.022","","","","has coordinates","257021","2020-10-21","18:00:00",""
"4517708","13.921","0.0005","16.027","0.0006","26.415","0.0009","91.032","0.001","101.549","0.001","91.773","0.001","5769.7","0.4","90.15","","90.15","","","","","","","","","8","P -1","-P 1","2","","","","- C111 H120 B2 F40 In2 N4 O3 Si2 -","- C111 H120 B2 F40 In2 N4 O3 Si2 -","- C222 H240 B4 F80 In4 N8 O6 Si4 -","2","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0543","0.0359","","","0.0848","0.0936","","","","","","1.031","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517709","14.75","0.007","14.75","0.007","35.67","0.02","90","","90","","90","","7760","7","90","2","90.15","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C31 H60 F6 In N2 O2 P Si -","- C31 H60 F6 In N2 O2 P Si -","- C248 H480 F48 In8 N16 O16 P8 Si8 -","8","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","x-ray","0.71069","MoKα","","0.0304","0.0273","","","0.0581","0.0589","","","","","","1.147","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517710","14.6691","0.0008","25.0259","0.0013","17.6496","0.0009","90","","106.494","0.002","90","","6212.7","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B F20 In N2 O2 Si -","- C62 H64 B F20 In N2 O2 Si -","- C248 H256 B4 F80 In4 N8 O8 Si4 -","4","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0482","0.0381","","","0.0851","0.0913","","","","","","1.058","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517711","12.2672","0.0002","15.04","0.0003","28.7115","0.0006","90","","90","","90","","5297.23","0.18","170","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H42 Cl Ir N P2 S -","- C23 H42 Cl Ir N P2 S -","- C184 H336 Cl8 Ir8 N8 P16 S8 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0409","0.0351","","","0.091","0.0965","","","","","","1.066","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517712","36.27","0.002","7.8548","0.0004","36.2929","0.0017","90","","113.602","0.003","90","","9474.7","0.9","170","2","170.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Ir N O2 P2 -","- C21 H36 Ir N O2 P2 -","- C336 H576 Ir16 N16 O32 P32 -","16","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.1108","0.0708","","","0.1439","0.167","","","","","","1.032","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517713","11.336","0.003","14.13","0.003","14.921","0.004","78.309","0.005","82.053","0.005","89.309","0.005","2317.6","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H35 Ir O P2 -","- C21 H35 Ir O P2 -","- C84 H140 Ir4 O4 P8 -","4","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","0.71073","MoKα","","0.17","0.0602","","","0.0987","0.1337","","","","","","0.923","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517714","13.2206","0.0003","11.3239","0.0002","15.3513","0.0003","90","","97.378","0.001","90","","2279.2","0.08","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Ir N O2 P2 -","- C20 H34 Ir N O2 P2 -","- C80 H136 Ir4 N4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0198","0.0196","","","0.0458","0.0459","","","","","","1.112","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517715","31.9259","0.0006","7.9828","0.0002","20.1715","0.0004","90","","100.614","0.001","90","","5052.91","0.19","170","2","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cl Ir N O P2 -","- C23 H43 Cl Ir N O P2 -","- C184 H344 Cl8 Ir8 N8 O8 P16 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0258","0.0219","","","0.0446","0.046","","","","","","1.107","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517716","8.6225","0.0002","18.5843","0.0004","17.0349","0.0004","90","","90.761","0.001","90","","2729.48","0.11","170","2","170.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Ir O2 P2 -","- C26 H45 Ir O2 P2 -","- C104 H180 Ir4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0722","0.0625","","","0.1633","0.1712","","","","","","1.151","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517717","8.1801","0.0006","17.6065","0.0014","17.9383","0.0014","62.959","0.003","83.152","0.004","82.77","0.004","2277.2","0.3","170","2","169.99","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Ir N O P2 S -","- C20 H34 Ir N O P2 S -","- C80 H136 Ir4 N4 O4 P8 S4 -","4","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0462","0.0432","","","0.1155","0.1182","","","","","","1.044","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517718","19.059","0.013","8.033","0.005","16.181","0.011","90","","92.063","0.011","90","","2476","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 Ir O2 P2 S0.99 -","- C20 H37 Ir O2 P2 S0.99 -","- C80 H148 Ir4 O8 P8 S3.96 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","0.71073","MoKα","","0.1561","0.1095","","","0.2384","0.2608","","","","","","1.162","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517719","13.6088","0.0002","11.1953","0.0002","15.5695","0.0003","90","","100.675","0.001","90","","2331.03","0.07","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Ir N O2 P2 -","- C22 H36 Ir N O2 P2 -","- C88 H144 Ir4 N4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0196","0.0195","","","0.047","0.0471","","","","","","1.154","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517720","29.6785","0.0005","8.0786","0.0001","18.7571","0.0003","90","","101.242","0.001","90","","4410.93","0.12","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 Ir O2 P2 S -","- C19 H31 Ir O2 P2 S -","- C152 H248 Ir8 O16 P16 S8 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.018","0.0168","","","0.0365","0.037","","","","","","1.087","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517721","14.2131","0.0003","14.3576","0.0003","17.1807","0.0004","108.37","0.001","97.894","0.001","91.083","0.001","3288.59","0.13","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 Ir O3 P2 -","- C19 H31 Ir O3 P2 -","- C114 H186 Ir6 O18 P12 -","6","3","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.046","0.0422","","","0.1093","0.1123","","","","","","1.116","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517722","16.0596","0.0019","4.9375","0.0007","24.003","0.003","90","","104.836","0.012","90","","1839.8","0.4","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Farias, Kaio; da Costa, Roner F.; Meira, Assuero S.; Diniz-Filho, Jairo; Bezerra, Eveline M.; Freire, Valder N.; Guest, Prue; Nikahd, Maryam; Ma, Xinghua; Gardiner, Michael G.; Banwell, Martin G.; de Oliveira, Maria da C. F.; de Moraes, Manoel O.; do Ó Pessoa, Claudia","Antitumor Potential of the Isoflavonoids (+)- and (−)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00097","","x-ray","1.54184","CuKα","","0.1554","0.0762","","","0.1403","0.1877","","","","","","1.042","","","","has coordinates","252390","2020-10-21","18:00:00",""
"4517723","4.7672","0.0001","18.8707","0.0004","16.6201","0.0004","90","","93.099","0.002","90","","1492.96","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","2","","Farias, Kaio; da Costa, Roner F.; Meira, Assuero S.; Diniz-Filho, Jairo; Bezerra, Eveline M.; Freire, Valder N.; Guest, Prue; Nikahd, Maryam; Ma, Xinghua; Gardiner, Michael G.; Banwell, Martin G.; de Oliveira, Maria da C. F.; de Moraes, Manoel O.; do Ó Pessoa, Claudia","Antitumor Potential of the Isoflavonoids (+)- and (−)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00097","","x-ray","1.54184","CuKα","","0.0407","0.039","","","0.1038","0.1057","","","","","","1.038","","","","has coordinates","252391","2020-10-21","18:00:00",""
"4517724","12.6824","0.0013","12.3741","0.0012","12.1031","0.0013","90","","99.791","0.006","90","","1871.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N2 O4 S2 -","- C48 H36 N2 O4 S2 -","- C96 H72 N4 O8 S4 -","2","0.5","","Zheng, Aibin; Ren, Ming; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Yuan, Yi; Lei, Ming; Wang, Peng","A Thioxanthenothioxanthene-based Hole Transporter with 2D Molecular Stacking for Efficient and Thermostable Perovskite Solar Cells","ACS Materials Letters","2020","","","691","698","10.1021/acsmaterialslett.0c00134","","","1.54178","CuKα","","0.1051","0.0764","","","0.2182","0.2729","","","","","","1.081","","","","has coordinates","257092","2020-10-21","18:00:00",""
"4517725","17.972","0.0018","4.5201","0.0005","18.2512","0.0015","90","","112.487","0.011","90","","1369.9","0.3","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 S2 -","- C20 H10 S2 -","- C80 H40 S8 -","4","1","","Zheng, Aibin; Ren, Ming; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Yuan, Yi; Lei, Ming; Wang, Peng","A Thioxanthenothioxanthene-based Hole Transporter with 2D Molecular Stacking for Efficient and Thermostable Perovskite Solar Cells","ACS Materials Letters","2020","","","691","698","10.1021/acsmaterialslett.0c00134","","","0.71073","MoKα","","0.1154","0.0712","","","0.1779","0.2065","","","","","","1.055","","","","has coordinates","257092","2020-10-21","18:00:00",""
"4517726","26.7798","0.0011","26.7798","","26.7798","","90","","90","","90","","19205.3","0.8","100","2","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C14.64 H1.81 O5.33 Zr -","- C14.64 H1.81333 O5.33333 Zr -","- C351.36 H43.52 O128 Zr24 -","24","0.125","","Li, Jialuo; Yuan, Shuai; Qin, Jun-Sheng; Huang, Lan; Bose, Riya; Pang, Jiandong; Zhang, Peng; Xiao, Zhifeng; Tan, Kui; Malko, Anton V.; Cagin, Tahir; Zhou, Hong-Cai","Fluorescence Enhancement in Solid State by Isolating Perylene Fluorophores in Metal-Organic Frameworks.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c05512","","x-ray","0.71073","MoKα","","0.0738","0.0583","","","0.163","0.1768","","","","","","1.057","","","","has coordinates","252434","2020-10-21","18:00:00",""
"4517727","24.7997","0.0005","24.7997","0.0005","31.9951","0.0014","90","","90","","120","","17041.5","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C48 H118 Cd7 O138 Sb24 -","- C48 H39 Cd7 O102 Sb24 -","- C192 H156 Cd28 O408 Sb96 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0841","0.053","","","0.1084","0.1276","","","","","","1.006","","","","has coordinates","252435","2020-10-21","18:00:00",""
"4517728","24.7944","0.0005","24.7944","0.0005","32.4228","0.0014","90","","90","","120","","17261.9","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H120 Ba2 Cd7 O141 Sb24 -","- C48 H39 Ba1.99995 Cd7 O102 Sb24 -","- C192 H156 Ba7.9998 Cd28 O408 Sb96 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0854","0.0478","","","0.1113","0.1356","","","","","","1.076","","","","has coordinates","252436","2020-10-21","18:00:00",""
"4517729","24.9433","0.0011","24.9433","0.0011","32.281","0.005","90","","90","","120","","17393","3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H138 Cd7 O157 Sb24 U3 -","- C48 H36 Cd7 O102 Sb24 U1.5 -","- C192 H144 Cd28 O408 Sb96 U6 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","1.3405","GaKα","","0.0842","0.0671","","","0.152","0.1609","","","","","","1.125","","","","has coordinates","252437","2020-10-21","18:00:00",""
"4517730","24.7828","0.0005","24.7828","0.0005","32.4311","0.0014","90","","90","","120","","17250.2","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H119 Cd7 O140 Sb24 Sr1.5 -","- C48 H39 Cd7 O102 Sb24 Sr1.5 -","- C192 H156 Cd28 O408 Sb96 Sr6 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0796","0.0454","","","0.1042","0.1258","","","","","","1.01","","","","has coordinates","252438","2020-10-21","18:00:00",""
"4517731","11.8096","0.0004","6.187","0.0002","19.7061","0.0007","90","","105.867","0.002","90","","1384.99","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C64 H74 N2 O6 -","2","1","","Wang, Yaxin; Wang, Nengyong; Zhao, Jianyou; Sun, Minzhi; You, Huichao; Fang, Fang; Liu, Zhong-Quan","Visible-Light-Promoted Site-Specific and Diverse Functionalization of a C(sp3)‒C(sp3) Bond Adjacent to an Arene","ACS Catalysis","2020","","","6603","6612","10.1021/acscatal.0c01495","","","1.54178","CuKα","","0.0414","0.0353","","","0.0916","0.0979","","","","","","1.03","","","","has coordinates","257013","2020-10-21","18:00:00",""
"4517732","7.9594","0.0008","9.7061","0.001","11.5124","0.0012","72.844","0.001","89.113","0.002","80.497","0.001","837.63","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Au Cl O -","- C21 H14 Au Cl O -","- C42 H28 Au2 Cl2 O2 -","2","1","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0251","0.0215","","","0.0667","0.0693","","","","","","0.896","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517733","11.6275","0.0014","12.6651","0.0016","15.1706","0.0019","113.103","0.002","103.226","0.003","99.082","0.003","1922.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Cl2 O -","- C24 H18 Cl2 O -","- C96 H72 Cl8 O4 -","4","2","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0621","0.0439","","","0.1099","0.1212","","","","","","1.033","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517734","20.839","0.004","14.241","0.002","16.555","0.003","90","","98.828","0.003","90","","4854.8","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H17 Au Cl6 O -","- C22.5 H17 Au Cl6 O -","- C180 H136 Au8 Cl48 O8 -","8","1","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0662","0.0461","","","0.143","0.1657","","","","","","0.994","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517735","6.19","0.0012","11.1","0.002","33.82","0.007","90","","90","","90","","2323.7","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N2 O2 -","- C30 H26 N2 O2 -","- C120 H104 N8 O8 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","0.8","synchrotron","","0.0703","0.061","","","0.1599","0.1686","","","","","","1.058","","","","has coordinates","252496","2020-10-21","18:00:00",""
"4517736","26.3544","0.0016","5.2948","0.0003","23.28","0.0015","90","","113.841","0.002","90","","2971.3","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C35 H36 N2 O5 -","- C35 H36 N2 O5 -","- C140 H144 N8 O20 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","0.71073","MoKα","","0.0603","0.0411","","","0.0844","0.0909","","","","","","1.025","","","","has coordinates","252497","2020-10-21","18:00:00",""
"4517737","11.8784","0.0001","9.4884","0.0001","13.0176","0.0001","90","","92.605","0.001","90","","1465.66","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 F3 N2 O6 -","- C32 H31 F3 N2 O6 -","- C64 H62 F6 N4 O12 -","2","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","1.54184","CuKα","","0.0412","0.0389","","","0.1019","0.1032","","","","","","1.052","","","","has coordinates","252498","2020-10-21","18:00:00",""
"4517738","12.2006","0.0003","34.6872","0.0006","13.1696","0.0002","90","","90","","90","","5573.44","0.19","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C60 H61 N4 O11 -","- C60 H61 N4 O11 -","- C240 H244 N16 O44 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","1.54184","CuKα","","0.0751","0.0721","","","0.1817","0.1834","","","","","","1.16","","","","has coordinates,has disorder","252499","2020-10-21","18:00:00",""
"4517739","15.3733","0.0001","7.8961","0.0001","24.1511","0.0002","90","","92.627","0.001","90","","2928.6","0.05","100","0.17","100","0.17","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O20 -","- C30 H31 O20 -","- C120 H124 O80 -","4","1","","Hu, Hongchao; Luo, Fan; Wang, Mingjie; Fu, Zhihuan; Shu, Xugang","New Method for Extracting and Purifying Dihydromyricetin from <i>Ampelopsis grossedentata</i>.","ACS omega","2020","5","23","13955","13962","10.1021/acsomega.0c01222","","x-ray","1.54184","CuKα","","0.0382","0.0344","","","0.0933","0.0956","","","","","","1.064","","","","has coordinates","253721","2020-10-21","18:00:00",""
"4517740","18.661","0.004","23.359","0.004","21.359","0.003","90","","101.962","0.006","90","","9108","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H24 In N2 O24 Tb2 -","- C58 H24 In N2 O24 Tb2 -","- C232 H96 In4 N8 O96 Tb8 -","4","0.5","","Chen, Hongtai; Fan, Liming; Zhang, Xiutang; Ma, Lufang","Nanocage-Based In<sup>III</sup>{Tb<sup>III</sup>}<sub>2</sub>-Organic Framework Featuring Lotus-Shaped Channels for Highly Efficient CO<sub>2</sub> Fixation and I<sub>2</sub> Capture.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07061","","","0.71073","MoKα","","0.0754","0.0655","","","0.2312","0.2432","","","","","","1","","","","has coordinates","252985","2020-10-21","18:00:00",""
"4517741","10.2675","0.0001","14.2614","0.0001","12.6118","0.0001","90","","103.552","0.001","90","","1795.31","0.03","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N5 O2 -","- C22 H17 N5 O2 -","- C88 H68 N20 O8 -","4","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","1.54184","CuKα","","0.0364","0.0344","","","0.0892","0.091","","","","","","1.035","","","","has coordinates","252993","2020-10-21","18:00:00",""
"4517742","6.375","0.0001","20.0436","0.0007","24.657","0.0009","100.604","0.003","97.291","0.002","98.132","0.002","3027.57","0.17","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C144 H126 N30 O12 -","6","3","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","1.54184","CuKα","","0.086","0.0667","","","0.1974","0.244","","","","","","1.096","","","","has coordinates","252994","2020-10-21","18:00:00",""
"4517743","23.61","0.0006","8.2626","0.0001","12.5919","0.0003","90","","97.306","0.002","90","","2436.48","0.09","130","2","130","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C58 H46 N10 O6 -","- C58 H46 N10 O6 -","- C116 H92 N20 O12 -","2","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","1.54184","CuKα","","0.079","0.0629","","","0.1717","0.1821","","","","","","1.048","","","","has coordinates","252995","2020-10-21","18:00:00",""
"4517744","8.3345","0.0003","12.5564","0.0003","38.1656","0.0018","90","","90","","90","","3994.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N5 O2 -","- C23 H19 N5 O2 -","- C184 H152 N40 O16 -","8","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0849","0.0518","","","0.1007","0.1154","","","","","","1.044","","","","has coordinates","252996","2020-10-21","18:00:00",""
"4517745","9.6089","0.0003","10.2089","0.0003","32.7406","0.001","90","","95.922","0.003","90","","3194.59","0.17","293","2","293","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0608","0.0459","","","0.1099","0.1217","","","","","","1.031","","","","has coordinates","252997","2020-10-21","18:00:00",""
"4517746","11.3753","0.0005","17.4576","0.0006","11.6713","0.0005","90","","106.119","0.005","90","","2226.63","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0656","0.0464","","","0.1026","0.1166","","","","","","1.043","","","","has coordinates","252998","2020-10-21","18:00:00",""
"4517747","9.26094","0.00004","9.56903","0.00005","13.38456","0.00006","90","","90","","90","","1186.12","0.01","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0409","0.0408","","","0.1194","0.1196","","","","","","1.191","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517748","7.9009","0.0002","10.9614","0.0003","13.2772","0.0004","90","","90","","90","","1149.87","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Cl N2 O5 -","- C11 H7 Cl N2 O5 -","- C44 H28 Cl4 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0394","0.036","","","0.0742","0.0764","","","","","","1.037","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517749","9.6892","0.0004","9.8837","0.0004","10.8874","0.0004","90","","90","","90","","1042.63","0.07","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C44 H32 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0409","0.037","","","0.081","0.0831","","","","","","1.053","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517750","5.6724","0.0002","9.6556","0.0003","9.4591","0.0004","90","","103.91","0.004","90","","502.89","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C22 H16 N4 O10 -","2","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0373","0.0347","","","0.0765","0.0778","","","","","","1.072","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517751","14.9944","0.0003","14.9944","0.0003","9.2172","0.0001","90","","90","","120","","1794.68","0.05","150","0.1","150","0.1","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H11 N2 O3.5 -","- C11 H11 N2 O3.5 -","- C66 H66 N12 O21 -","6","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0957","0.0962","","","","","","1.133","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517752","4.7466","0.0001","12.1979","0.0002","16.5531","0.0003","90","","90","","90","","958.4","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O3 -","- C11 H8 N2 O3 -","- C44 H32 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0326","0.0313","","","0.0821","0.0831","","","","","","1.063","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517753","8.3394","0.0003","9.2251","0.0003","10.2483","0.0003","112.584","0.003","102.063","0.003","99.352","0.003","685.68","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C13 H14 Cl2 N2 O2 -","- C13 H14 Cl2 N2 O2 -","- C26 H28 Cl4 N4 O4 -","2","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0866","0.0873","","","","","","1.048","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517754","10.0284","0.0003","11.8376","0.0003","18.0484","0.0005","90","","90","","90","","2142.57","0.1","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C88 H64 N16 O40 -","8","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0453","0.039","","","0.0794","0.0823","","","","","","1.071","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517755","9.90829","0.00008","9.74229","0.00007","19.67523","0.00017","90","","102.549","0.0008","90","","1853.87","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","4","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0363","0.0359","","","0.0963","0.0971","","","","","","1.037","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517756","9.7398","0.0004","8.1494","0.0003","21.0519","0.0009","90","","90.893","0.002","90","","1670.76","0.12","100","2","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Wang, Zhihan; Scheuring, Mark; Mabin, Micah; Shahni, Rahul; Wang, Zijun D.; Ugrinov, Angel; Butz, Jonathan; Chu, Qianli R.","Renewable Cyclobutane-1,3-dicarboxylic Acid (CBDA) Building Block Synthesized from Furfural via Photocyclization","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c00708","","","0.71073","MoKα","","0.0426","0.0369","","","0.1015","0.1126","","","","","","1.111","","","","has coordinates","253009","2020-10-21","18:00:00",""
"4517757","8.2085","0.0005","8.3297","0.0005","10.3384","0.0006","73.144","0.004","68.207","0.004","86.546","0.004","627.27","0.07","100","2","99.99","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Wang, Zhihan; Scheuring, Mark; Mabin, Micah; Shahni, Rahul; Wang, Zijun D.; Ugrinov, Angel; Butz, Jonathan; Chu, Qianli R.","Renewable Cyclobutane-1,3-dicarboxylic Acid (CBDA) Building Block Synthesized from Furfural via Photocyclization","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c00708","","","0.71073","MoKα","","0.0493","0.0433","","","0.1189","0.1247","","","","","","1.084","","","","has coordinates","253009","2020-10-21","18:00:00",""
"4517758","6.56646","0.00002","11.4444","0.00004","6.94202","0.00002","90","","90.5668","0.0003","90","","521.662","0.003","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F24 K8 Zr4 -","4","0.5","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.825631","synchrotron","","","","","","","","","1.9943","1.532","","","","","","","has coordinates","253092","2020-10-21","18:00:00",""
"4517759","9.15641","0.00003","9.15641","0.00003","9.15641","0.00003","90","","90","","90","","767.672","0.004","768","","768","","","","","","","","","3","F m -3 m","-F 4 2 3","225","K2ZrF6","","","- F6 K2 Zr -","- F5.9988 K2 Zr -","- F23.9952 K8 Zr4 -","4","0.0208333","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","4.1396","1.524","","","","","","","has coordinates","253093","2020-10-21","18:00:00",""
"4517760","6.33605","0.00002","6.33605","0.00002","9.29458","0.00005","90","","90","","90","","373.136","0.003","473","","473","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F12 K4 Zr2 -","2","0.125","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","5.102","2.293","","","","","","","has coordinates","253094","2020-10-21","18:00:00",""
"4517761","6.37122","0.00008","20.5603","0.0003","19.6642","0.0003","90","","90","","90","","2575.9","0.06","327","","327","","","","","","","","","3","C m c m","-C 2c 2","63","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","6.029","3.447","","","","","","","has coordinates","253095","2020-10-21","18:00:00",""
"4517762","6.4084","0.00005","20.76974","0.00018","19.9888","0.00017","90","","90","","90","","2660.53","0.04","568","","568","","","","","","","","","3","C m c m","-C 2c 2","63","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","7.6317","3.73","","","","","","","has coordinates","253096","2020-10-21","18:00:00",""
"4517763","10.30844","0.00007","6.02909","0.00003","23.80175","0.00014","90","","90","","90","","1479.29","0.015","768","","768","","","","","","","","","3","P n m a","-P 2ac 2n","62","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F48 K16 Zr8 -","8","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","13.3758","1.524","","","","","","","has coordinates","253097","2020-10-21","18:00:00",""
"4517764","42.1499","0.0014","7.5617","0.0002","28.9285","0.001","90","","127.74","0.001","90","","7291.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N6 Ni S4 -","- C14 H11 N6 Ni S4 -","- C224 H176 N96 Ni16 S64 -","16","2","","Qian, Yin; Shao, Dong-Sheng; Yao, Wan-Wan; Yao, Zhi-Yuan; Wang, Lifeng; Liu, Wenlong; Ren, Xiao-Ming","A promising phase change material with record high ionic conductivity over a wide temperature range of plastic crystal phase and magnetic thermal memory effect.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04751","","","0.71073","MoKα","","0.0929","0.0843","","","0.1877","0.1909","","","","","","1.231","","","","has coordinates,has disorder","253127","2020-10-21","18:00:00",""
"4517765","6.9727","0.0011","19.869","0.003","12.956","0.002","90","","91.013","0.004","90","","1794.7","0.5","101","","101","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0354","0.0353","","","0.0871","0.0871","","","","","","1.104","","","","has coordinates","253714","2020-10-21","18:00:00",""
"4517766","9.9474","0.0003","14.0292","0.0004","18.0762","0.0006","90","","91.968","0.001","90","","2521.12","0.13","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 -","- C36 H26 N2 -","- C144 H104 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0364","0.0355","","","0.0888","0.0896","","","","","","1.054","","","","has coordinates","253714","2020-10-21","18:00:00",""
"4517767","5.8952","0.0004","8.3803","0.0004","21.5947","0.0013","94.192","0.005","91.254","0.005","96.483","0.005","1056.71","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 F N2 O4 S -","- C24 H19 F N2 O4 S -","- C48 H38 F2 N4 O8 S2 -","2","1","","Wang, Ning; Yang, Qin; Deng, Zhihong; Mao, Xuechun; Peng, Yiyuan","Rhodium-Catalyzed Merging of 2-Arylquinazolinone and 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Monofluoroolefin Quinazolinone Derivatives.","ACS omega","2020","5","24","14635","14644","10.1021/acsomega.0c01344","","x-ray","0.71073","MoKα","","0.0631","0.05","","","0.1179","0.1264","","","","","","1.062","","","","has coordinates","253713","2020-10-21","18:00:00",""
"4517768","8.50945","0.00004","11.48583","0.00006","28.11292","0.00013","90","","90","","90","","2747.7","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Br N2 O2 -","- C30 H45 Br N2 O2 -","- C120 H180 Br4 N8 O8 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0186","0.0186","","","0.0476","0.0477","","","","","","1.057","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517769","8.25467","0.00002","13.60583","0.00004","22.29025","0.00007","90","","90","","90","","2503.45","0.012","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br N2 O3 -","- C25 H37 Br N2 O3 -","- C100 H148 Br4 N8 O12 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0166","0.0166","","","0.044","0.044","","","","","","1.062","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517770","9.9422","0.0008","6.0314","0.0005","15.453","0.0012","90","","103.236","0.002","90","","902.03","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B2 F6 K2 O4 -","- C12 H18 B2 F6 K2 O4 -","- C24 H36 B4 F12 K4 O8 -","2","1","","Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H.","Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks","ACS Catalysis","2020","10","13","7112","7116","10.1021/acscatal.0c01888","","","0.71073","MoKα","","0.0225","0.0215","","","0.056","0.0565","","","","","","1.054","","","","has coordinates","257001","2020-10-21","18:00:00",""
"4517771","19.1679","0.0007","10.1706","0.0003","23.0399","0.0008","90","","98.625","0.002","90","","4440.8","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Cl N4 O2 Ti -","- C49 H59 Cl N4 O2 Ti -","- C196 H236 Cl4 N16 O8 Ti4 -","4","1","","Hao, Han; Schafer, Laurel L.","Metal‒Ligand Cooperativity in Titanium-Catalyzed Anti-Markovnikov Hydroamination","ACS Catalysis","2020","","","7100","","10.1021/acscatal.0c00491","","","0.71073","MoKα","","0.0883","0.0454","","","0.0955","0.1129","","","","","","1.024","","","","has coordinates","253208","2020-10-21","18:00:00",""
"4517772","8.389","0.003","9.214","0.002","9.659","0.003","102.796","0.014","99.295","0.016","100.694","0.01","699.2","0.4","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0222","0.0214","","","0.0497","0.0502","","","","","","1.057","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517773","10.5631","0.0003","10.5631","0.0003","34.9612","0.0011","90","","90","","90","","3900.9","0.2","170","2","170","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 Br2 Fe N2 O2 -","- C20 H18 Br2 Fe N2 O2 -","- C160 H144 Br16 Fe8 N16 O16 -","8","1","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0458","0.038","","","0.0797","0.083","","","","","","1.031","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517774","5.2215","0.0013","7.9597","0.0019","23.385","0.006","87.72","0.008","86.471","0.008","89.947","0.007","969.3","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C21 H17 Br2 N O2 S -","- C21 H17 Br2 N O2 S -","- C42 H34 Br4 N2 O4 S2 -","2","2","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","","0.71073","MoKα","","0.1","0.0875","","","0.2155","0.228","","","","","","1.032","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517775","12.4627","0.0009","18.1472","0.0012","12.9349","0.0009","90","","93.987","0.003","90","","2918.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C104 H168 Cl16 Ir8 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.1176","0.1097","","","0.2322","0.2356","","","","","","1.28","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517776","5.5584","0.0014","14.559","0.004","27.412","0.007","90","","90","","90","","2218.3","1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 F6 N O4 S -","- C23 H17 F6 N O4 S -","- C92 H68 F24 N4 O16 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0784","0.0663","","","0.1691","0.18","","","","","","1.047","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517777","10.993","0.0005","14.5354","0.0007","12.7588","0.0007","90","","94.905","0.002","90","","2031.23","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Ir O S -","- C24 H27 Ir O S -","- C96 H108 Ir4 O4 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0426","0.0388","","","0.1051","0.1077","","","","","","1.059","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517778","8.3494","0.0005","9.1549","0.0006","9.6175","0.0006","102.865","0.002","98.989","0.002","100.722","0.002","689.02","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0323","0.0313","","","0.086","0.0867","","","","","","1.095","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517779","10.548","0.003","11.96","0.003","13.948","0.003","94.54","0.005","111.21","0.004","115.903","0.004","1415.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin","Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters","ACS Catalysis","2020","10","13","7262","7268","10.1021/acscatal.0c02414","","","0.71073","MoKα","","0.2061","0.1036","","","0.2003","0.2382","","","","","","1.161","","","","has coordinates","257000","2020-10-21","18:00:00",""
"4517780","12.4492","0.0011","12.9077","0.0012","16.7609","0.0015","93.584","0.002","93.336","0.002","116.209","0.001","2400.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 N12 Ni2 O12 -","- C32 H32 Cl4 N12 Ni2 O12 -","- C64 H64 Cl8 N24 Ni4 O24 -","2","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0966","0.0782","","","0.1962","0.2073","","","","","","1.068","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517781","16.747","0.004","16.263","0.004","16.884","0.004","90","","102.324","0.004","90","","4492.5","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N16 O16 Zn2 -","- C32 H32 N16 O16 Zn2 -","- C128 H128 N64 O64 Zn8 -","4","0.5","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0906","0.0789","","","0.2137","0.2191","","","","","","1.12","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517782","17.656","0.005","9.054","0.003","9.668","0.003","90","","102.861","0.006","90","","1506.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O2 -","- C15 H14 N6 O2 -","- C60 H56 N24 O8 -","4","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.1612","0.1239","","","0.2839","0.301","","","","","","1.185","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517783","8.6269","0.0002","9.0681","0.0002","14.8527","0.0003","75.02","0.0006","86.4","0.0008","65.994","0.001","1024.16","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O3 Sn -","- C23 H23 N O3 Sn -","- C46 H46 N2 O6 Sn2 -","2","1","","Khan, Huzaifa Yasir; Maurya, Santosh K.; Siddique, Hifzur R.; Yousuf, Shariq; Arjmand, Farukh","New Tailored RNA-Targeted Organometallic Drug Candidates against Huh7 (Liver) and Du145 (Prostate) Cancer Cell Lines","ACS Omega","2020","5","25","15218","15228","10.1021/acsomega.0c01206","","","0.71073","MoKα","","0.0266","0.0235","","","0.0486","0.0504","","","","","","1.0529","","","","has coordinates","257068","2020-10-21","18:00:00",""
"4517784","9.833","0.0003","17.3251","0.0007","11.7851","0.0004","90","","94.219","0.002","90","","2002.24","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C96 H96 N16 -","8","2","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0338","0.0321","","","0.0876","0.0892","","","","","","1.031","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517785","9.6273","0.0004","9.7032","0.0004","20.4587","0.0009","90","","96.053","0.002","90","","1900.51","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0596","0.0576","","","0.1632","0.1648","","","","","","1.075","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517786","8.0734","0.0001","18.0661","0.0003","11.5367","0.0002","90","","94.229","0.001","90","","1678.1","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 N2 O Pt S -","- C14 H18 Cl2 N2 O Pt S -","- C56 H72 Cl8 N8 O4 Pt4 S4 -","4","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0222","0.0215","","","0.0494","0.0497","","","","","","1.212","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517787","7.0497","0.0011","8.924","0.0009","22.361","0.003","90","","93.939","0.011","90","","1403.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N5 O -","- C17 H11 N5 O -","- C68 H44 N20 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Zhilina, Ekaterina F.; Rusinov, Gennady L.; Chupakhin, Oleg N.; Charushin, Valery N.","Synthesis of Heteroannulated Indolopyrazines through Domino N‒H Palladium-Catalyzed/Metal-Free Oxidative C‒H Bond Activation","ACS Omega","2020","5","25","15681","15690","10.1021/acsomega.0c01945","","","0.71073","MoKα","","0.1272","0.0515","","","0.1095","0.1511","","","","","","1.001","","","","has coordinates","257070","2020-10-21","18:00:00",""
"4517788","12.269","0.0008","9.289","0.0007","21.0005","0.0016","90","","92.724","0.002","90","","2390.7","0.3","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Mn2 N2 O10 -","- C16 H26 Mn2 N2 O10 -","- C64 H104 Mn8 N8 O40 -","4","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.0707","0.0532","","","0.1036","0.1095","","","","","","1.116","","","","has coordinates,has disorder","257071","2020-10-21","18:00:00",""
"4517789","9.362","0.002","10.82","0.003","12.659","0.003","70.17","0.005","87.581","0.005","79.631","0.006","1186.3","0.5","573","2","573","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn2 N2 O11 -","- C16 H28 Mn2 N2 O11 -","- C32 H56 Mn4 N4 O22 -","2","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.1143","0.0661","","","0.1493","0.177","","","","","","1.029","","","","has coordinates","257071","2020-10-21","18:00:00",""
"4517790","8.8397","0.0007","19.7094","0.0018","8.4762","0.0006","90","","90","","90","","1476.8","0.2","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.0685","0.0382","","","0.0673","0.0769","","","","","","1.036","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4517791","8.7746","0.0005","19.2817","0.0012","8.4744","0.0005","90","","90","","90","","1433.78","0.15","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.029","0.0249","","","0.0506","0.0523","","","","","","1.095","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4517792","14.4002","0.001","9.7533","0.0005","18.1436","0.0012","90","","111.301","0.008","90","","2374.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 N3 O S -","- C32 H21 N3 O S -","- C128 H84 N12 O4 S4 -","4","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","0.71073","MoKα","","0.0599","0.0449","","","0.0977","0.1063","","","","","","1.055","","","","has coordinates","253357","2020-10-21","18:00:00",""
"4517793","8.6536","0.0004","9.1304","0.0004","15.3764","0.0007","82.122","0.004","76.998","0.004","71.554","0.004","1120.08","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N3 O2 -","- C32 H21 N3 O2 -","- C64 H42 N6 O4 -","2","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","1.54184","CuKα","","0.0652","0.0539","","","0.1469","0.159","","","","","","1.035","","","","has coordinates","253358","2020-10-21","18:00:00",""
"4517794","9.7565","0.0011","23.074","0.003","11.8555","0.0011","90","","103.531","0.01","90","","2594.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O -","- C35 H27 N3 O -","- C140 H108 N12 O4 -","4","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","0.71073","MoKα","","0.0843","0.0566","","","0.1103","0.1226","","","","","","1.071","","","","has coordinates","253359","2020-10-21","18:00:00",""
"4517795","8.6828","0.0006","9.3681","0.0006","15.4637","0.0011","83.527","0.006","76.819","0.006","72.172","0.006","1164.64","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 N3 O S -","- C32 H21 N3 O S -","- C64 H42 N6 O2 S2 -","2","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","0.71073","MoKα","","0.0647","0.0489","","","0.1025","0.1135","","","","","","1.039","","","","has coordinates","253360","2020-10-21","18:00:00",""
"4517796","12.6221","0.0006","20.3106","0.001","22.3941","0.001","90","","90","","90","","5741","0.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C204 H204 F36 N20 O36 P12 Ru4 S12 -","4","1","","Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S.","Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere","ACS Catalysis","2020","10","13","7419","7423","10.1021/acscatal.0c02268","","","0.71073","MoKα","","0.0407","0.0376","","","0.0931","0.095","","","","","","1.074","","","","has coordinates,has disorder","257003","2020-10-21","18:00:00",""
"4517797","14.0505","0.0005","14.0505","0.0005","21.0782","0.0008","90","","90","","120","","3603.7","0.2","138","3","138","3","","","","","","","","8","R 3 :H","R 3","146","","","","- C28.5 H58.5 Ba Br6 N1.5 O13.5 Rb Sb -","- C28.5 H58.5 Ba Br6 N1.5 O13.5 Rb Sb -","- C85.5 H175.5 Ba3 Br18 N4.5 O40.5 Rb3 Sb3 -","3","0.333333","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0324","0.0257","","","0.0596","0.0618","","","","","","1.062","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517798","10.3975","0.0005","10.468","0.0006","11.1155","0.0006","81.237","0.005","80.582","0.004","82.112","0.004","1171.73","0.11","229.96","0.14","229.96","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C30 H62 Cl5 N2 O14 Rb2 Sb -","- C30 H62 Cl5 N2 O14 Rb2 Sb -","- C30 H62 Cl5 N2 O14 Rb2 Sb -","1","0.5","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0639","0.0417","","","0.0878","0.098","","","","","","1.025","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517799","10.586","0.0004","10.6601","0.0006","11.3458","0.0005","80.574","0.004","80.343","0.003","82.145","0.004","1237.29","0.1","250","0.1","250","0.1","","","","","","","","7","P -1","-P 1","2","","Rubidium pentabromoantimonate(III) 1,4,7,10,13,16-hexaoxacyclooctadecane N,N-dimethylformamide","","- C30 H62 Br5 N2 O14 Rb2 Sb -","- C30 H62 Br5 N2 O14 Rb2 Sb -","- C30 H62 Br5 N2 O14 Rb2 Sb -","1","0.5","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0361","0.0278","","","0.0657","0.069","","","","","","1.027","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517800","21.1006","0.0003","8.53683","0.00013","24.3975","0.0004","90","","98.4941","0.0015","90","","4346.57","0.12","230","0.2","230","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 Cl5 Cs2 N O13 Sb -","- C27 H55 Cl5 Cs2 N O13 Sb -","- C108 H220 Cl20 Cs8 N4 O52 Sb4 -","4","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.069","0.0376","","","0.0519","0.0587","","","","","","0.995","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517801","31.9947","0.0006","9.10191","0.00015","14.9567","0.0003","90","","90","","90","","4355.58","0.14","120.01","0.18","120.01","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H48 Br6 Cs3 O12 Sb -","- C24 H48 Br6 Cs3 O12 Sb -","- C96 H192 Br24 Cs12 O48 Sb4 -","4","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0486","0.0423","","","0.0936","0.0971","","","","","","1.106","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517802","14.0504","0.0003","14.0504","0.0003","21.4176","0.0005","90","","90","","120","","3661.67","0.14","120.01","0.19","120.01","0.19","","","","","","","","8","R -3 :H","-R 3","148","","","","- C29.35 H60.48 Ba Br6 Cs N1.78 O13.78 Sb -","- C29.346 H60.474 Ba Br6 Cs N1.782 O13.782 Sb -","- C88.038 H181.422 Ba3 Br18 Cs3 N5.346 O41.346 Sb3 -","3","0.166667","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0485","0.0381","","","0.0769","0.0802","","","","","","1.182","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517803","8.9339","0.0002","13.85","0.0004","24.0142","0.0007","80.825","0.002","86.605","0.002","89.767","0.002","2928.18","0.14","200.01","0.12","200.01","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2 -","- C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2 -","- C63 H131 Ba4 Br20 N5 O29 Sb4 -","2","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0895","0.0503","","","0.0999","0.116","","","","","","1.023","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517804","10.3871","0.0008","10.5079","0.0007","11.157","0.0009","81.641","0.006","81.407","0.007","83.885","0.006","1186.8","0.16","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H62 Br5 K2 N2 O14 Sb -","- C30 H62 Br4.9998 K2 N2 O14 Sb -","- C30 H62 Br4.9998 K2 N2 O14 Sb -","1","0.5","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","","0.0534","0.0403","","","0.0866","0.0933","","","","","","1.104","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517805","10.1265","0.0002","15.3814","0.0002","14.2252","0.0002","90","","92.268","0.001","90","","2213.98","0.06","120.02","0.13","120.02","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Cesium pentabromoantimonate(III) 1,4,7,10,13,16-hexaoxacyclooctadecane N,N-dimethylformamide","","- C27 H55 Br5 Cs2 N O13 Sb -","- C27 H55 Br5 Cs2 N O13 Sb -","- C54 H110 Br10 Cs4 N2 O26 Sb2 -","2","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0467","0.0416","","","0.0951","0.0978","","","","","","1.047","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517806","8.2589","0.0017","21.876","0.005","10.255","0.002","90","","94.625","0.004","90","","1846.8","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","2","","Huang, Yinhua; Wang, Lijun; Li, Junbao; Qiu, Huayu; Leung, Pak-Hing","Enantioselective C,P-Palladacycle-Catalyzed Arylation of Imines","ACS Omega","2020","","","","","10.1021/acsomega.0c01124","","","0.71073","MoKα","","0.0708","0.0459","","","0.0947","0.108","","","","","","1.013","","","","has coordinates","253399","2020-10-21","18:00:00",""
"4517807","12.898","0.003","5.9681","0.0011","10.871","0.003","90","","104.634","0.016","90","","809.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C44 H28 S4 -","2","0.5","","Wu, Xiaosong; Dai, Donghuan; Ling, Yao; Chen, Shuo; Huang, Chongyu; Feng, Shiyu; Huang, Weiguo","Organic Single-Crystal Transistor with Unique Photo Responses and Its Application as Light-Stimulated Synaptic Devices.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c05809","","","0.71073","MoKα","","0.1014","0.0673","","","0.1559","0.1696","","","","","","1.106","","","","has coordinates","253446","2020-10-21","18:00:00",""
"4517808","11.1012","0.0004","11.5775","0.0005","13.3634","0.0004","89.848","0.003","77.424","0.003","78.168","0.003","1639.11","0.11","150.01","0.14","150.01","0.14","","","","","","","","5","P -1","-P 1","2","","Rh(DPEphos)(CH2Ph)","","- C43 H35 O P2 Rh -","- C43 H35 O P2 Rh -","- C86 H70 O2 P4 Rh2 -","2","1","","Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S.","Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis","ACS Catalysis","2020","","","7443","7448","10.1021/acscatal.0c02211","","x-ray","1.54184","CuKα","","0.042","0.0358","","","0.0861","0.0911","","","","","","1.002","","","","has coordinates,has disorder","257051","2020-10-21","18:00:00",""
"4517809","16.1346","0.0011","10.4118","0.0003","24.8442","0.0014","90","","98.216","0.006","90","","4130.7","0.4","149.99","0.16","149.99","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rh(Xantphos)(CH2Ph)","","- C51.1 H44.1 O P2 Rh -","- C51.1 H44.1 O P2 Rh -","- C204.4 H176.4 O4 P8 Rh4 -","4","1","","Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S.","Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis","ACS Catalysis","2020","","","7443","7448","10.1021/acscatal.0c02211","","x-ray","1.54184","CuKα","","0.1372","0.0994","","","0.2612","0.306","","","","","","1.027","","","","has coordinates,has disorder","257051","2020-10-21","18:00:00",""
"4517810","9.532","0.005","11.506","0.006","14.533","0.008","99.097","0.007","90.829","0.007","104.91","0.007","1518.3","1.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cl0 Mn3 N4 O16 -","- C46 H38 Mn3 N4 O16 -","- C46 H38 Mn3 N4 O16 -","1","0.5","","Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata","Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks","ACS Omega","2020","","","","","10.1021/acsomega.0c01194","","","0.71073","MoKα","","0.1529","0.0679","","","0.1566","0.1816","","","","","","0.812","","","","has coordinates","253449","2020-10-21","18:00:00",""
"4517811","9.6055","0.001","11.5225","0.0012","14.5832","0.0017","98.467","0.004","90.413","0.004","105.395","0.004","1537.4","0.3","124","2","124.59","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cd3 N4 O16 -","- C46 H38 Cd3 N4 O16 -","- C46 H38 Cd3 N4 O16 -","1","0.5","","Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata","Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks","ACS Omega","2020","","","","","10.1021/acsomega.0c01194","","","0.71073","MoKα","","0.0636","0.0433","","","0.0934","0.1016","","","","","","1.039","","","","has coordinates","253450","2020-10-21","18:00:00",""
"4517812","8.1842","0.0008","11.5004","0.0015","12.761","0.0013","86.296","0.009","76.709","0.008","69.343","0.01","1093.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F3 N8 O8 -","- C18 H17 F3 N8 O8 -","- C36 H34 F6 N16 O16 -","2","1","","Zhang, Zhuyan; Yu, Nan; Xue, Chang; Gao, Shan; Deng, Zhaopeng; Li, Min; Liu, Cong; Castellot, John; Han, Siying","Potential Anti-Tumor Drug: Co-Crystal 5-Fluorouracil-nicotinamide","ACS Omega","2020","","","","","10.1021/acsomega.9b03574","","","0.71073","MoKα","","0.0782","0.0467","","","0.1072","0.1306","","","","","","1.034","","","","has coordinates","253451","2020-10-21","18:00:00",""
"4517813","9.7228","0.0002","15.7107","0.0004","14.334","0.0003","90","","92.744","0.002","90","","2187.04","0.09","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H34 F3 N O3 S Sn -","- C17 H34 F3 N O3 S Sn -","- C68 H136 F12 N4 O12 S4 Sn4 -","4","1","","Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.","Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid","ACS Catalysis","2020","","","7573","7583","10.1021/acscatal.0c02023","","x-ray","0.71073","MoKα","","0.0428","0.0306","","","0.0598","0.0653","","","","","","1.036","","","","has coordinates","257020","2020-10-21","18:00:00",""
"4517814","14.8706","0.0005","15.2083","0.0004","21.9762","0.0006","90","","104.671","0.003","90","","4808","0.3","173","0.14","173","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Al F36 N O4 Sn -","- C32 H34 Al F36 N O4 Sn -","- C128 H136 Al4 F144 N4 O16 Sn4 -","4","1","","Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.","Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid","ACS Catalysis","2020","","","7573","7583","10.1021/acscatal.0c02023","","x-ray","0.71073","MoKα","","0.1081","0.0701","","","0.1745","0.2016","","","","","","1.029","","","","has coordinates","257020","2020-10-21","18:00:00",""
"4517815","11.735","0.0003","12.2363","0.0003","17.4937","0.0005","104.65","0.002","107.734","0.002","95.338","0.002","2275.06","0.11","100","2","99.98","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H51 Cl2 Fe Ir N4 O4 P2 -","- C49 H51 Cl2 Fe Ir N4 O4 P2 -","- C98 H102 Cl4 Fe2 Ir2 N8 O8 P4 -","2","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0531","0.0463","","","0.1106","0.1134","","","","","","1.127","","","","has coordinates","253569","2020-10-21","18:00:00",""
"4517816","13.6487","0.0002","19.0356","0.0003","18.3707","0.0003","90","","96.227","0.001","90","","4744.75","0.13","100.02","","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","IrHCl(TheophyllineI_kO1_kN7_(PPh3)2]_x2CHCl3","","- C45 H39 Cl7 I Ir N4 O2 P2 -","- C45 H39 Cl7 I Ir N4 O2 P2 -","- C180 H156 Cl28 I4 Ir4 N16 O8 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0408","0.0379","","","0.1104","0.1132","","","","","","1.0374","","","","has coordinates","253570","2020-10-21","18:00:00",""
"4517817","10.4686","0.0005","18.0388","0.0008","31.6485","0.0013","90","","95.908","0.001","90","","5944.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Br2 Cl13 Ir N10 P2 -","- C50 H42 Br2 Cl13 Ir N10 P2 -","- C200 H168 Br8 Cl52 Ir4 N40 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.064","0.0383","","","0.0674","0.0737","","","","","","1.009","","","","has coordinates","253571","2020-10-21","18:00:00",""
"4517818","31.4221","0.0009","18.4724","0.0005","18.3313","0.0006","90","","96.855","0.001","90","","10564.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53.2 H48.8 Cl2 Ir N4 O2 P2 -","- C53.2 H37 Cl2 Ir N4 O2 P2 -","- C425.6 H296 Cl16 Ir8 N32 O16 P16 -","8","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0431","0.0356","","","0.0985","0.1044","","","","","","1.02","","","","has coordinates,has disorder","253572","2020-10-21","18:00:00",""
"4517819","14.2092","0.0008","11.5302","0.0014","28.4666","0.0015","90","","92.113","0.004","90","","4660.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Cl Fe I Ir N4 O4 P2 -","- C49 H51 Cl Fe I Ir N4 O4 P2 -","- C196 H204 Cl4 Fe4 I4 Ir4 N16 O16 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0349","0.0259","","","0.0523","0.0551","","","","","","1.043","","","","has coordinates","253573","2020-10-21","18:00:00",""
"4517820","8.1231","0.0003","12.6785","0.0007","15.4949","0.0007","113.285","0.005","97.678","0.004","94.858","0.004","1436.01","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H10 B F15 N2 O -","- C34 H10 B F15 N2 O -","- C68 H20 B2 F30 N4 O2 -","2","1","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","x-ray","1.54184","CuKα","","0.041","0.0356","","","0.0896","0.0946","","","","","","1.022","","","","has coordinates","253620","2020-10-21","18:00:00",""
"4517821","11.10279","0.00015","20.482","0.0002","12.30312","0.00015","90","","102.082","0.0013","90","","2735.84","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C124 H44 B4 F60 N4 O4 -","4","1","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","x-ray","1.54184","CuKα","","0.0387","0.0366","","","0.0953","0.0967","","","","","","1.09","","","","has coordinates","253621","2020-10-21","18:00:00",""
"4517822","20.6141","0.0017","18.621","0.002","6.9571","0.0007","90","","90","","90","","2670.5","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C124 H44 B4 F60 N4 O4 -","4","0.5","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","","0.71073","MoKα","","0.1115","0.1003","","","0.2282","0.2347","","","","","","1.063","","","","has coordinates","253622","2020-10-21","18:00:00",""
"4517823","24.7131","0.0011","7.4256","0.0005","34.3572","0.0017","90","","90","","90","","6304.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H12 B F15 N2 O2 -","- C34 H12 B F15 N2 O2 -","- C272 H96 B8 F120 N16 O16 -","8","1","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","x-ray","0.71073","MoKα","","0.1729","0.0748","","","0.1751","0.2299","","","","","","1.024","","","","has coordinates","253623","2020-10-21","18:00:00",""
"4517824","9.7943","0.0011","10.4746","0.0013","13.0589","0.0018","97.585","0.004","90.245","0.004","114.797","0.003","1202.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H56 N18 O20 -","- C28 H56 N18 O20 -","- C28 H56 N18 O20 -","1","0.5","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","0.71073","MoKα","","0.1334","0.0473","","","0.079","0.0996","","","","","","1.015","","","","has coordinates","253624","2020-10-21","18:00:00",""
"4517825","7.6145","0.0003","10.1856","0.0004","12.0493","0.0005","106.642","0.001","100.474","0.001","111.18","0.001","791.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 N16 O10 S4 -","- C14 H34 N16 O10 S4 -","- C14 H34 N16 O10 S4 -","1","0.5","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","0.71073","MoKα","","0.0876","0.0469","","","0.1121","0.1327","","","","","","1.013","","","","has coordinates,has disorder","253625","2020-10-21","18:00:00",""
"4517826","6.0246","0.0002","15.4056","0.0004","7.6501","0.0002","90","","111.344","0.002","90","","661.33","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N14 O6 -","- C6 H4 N14 O6 -","- C12 H8 N28 O12 -","2","0.5","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","1.54178","CuKα","","0.0608","0.0459","","","0.1227","0.1339","","","","","","1.049","","","","has coordinates","253626","2020-10-21","18:00:00",""
"4517827","6.2712","0.0012","8.2089","0.0016","15.652","0.003","86.144","0.006","88.008","0.006","73.919","0.006","772.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 Cl2 N10 O9 -","- C6 H5 Cl2 N10 O9 -","- C12 H10 Cl4 N20 O18 -","2","1","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","0.71073","MoKα","","0.1134","0.076","","","0.1939","0.2164","","","","","","1.044","","","","has coordinates,has disorder","253627","2020-10-21","18:00:00",""
"4517828","15.327","0.003","31.192","0.005","13.692","0.003","90","","94.911","0.003","90","","6522","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 K12 N10 O0 Ru2 Sn18 -","- C10 H20 K12 N10 Ru2 Sn18 -","- C40 H80 K48 N40 Ru8 Sn72 -","4","0.5","","Wang, Yanru; Zhang, Chao; Wang, Xiuyi; Guo, Jinqiu; Sun, Zhong-Ming; Zhang, Hongbo","Site-Selective CO2 Reduction over Highly Dispersed Ru-SnOx Sites Derived from a [Ru@Sn9]6‒ Zintl Cluster","ACS Catalysis","2020","","","7808","","10.1021/acscatal.0c01253","","","0.71073","MoKα","","0.0531","0.0343","","","0.0942","0.1065","","","","","","1.086","","","","has coordinates","253628","2020-10-21","18:00:00",""
"4517829","7.6989","0.0002","5.6085","0.0002","13.528","0.0004","90","","92.652","0.003","90","","583.5","0.03","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O -","- C15 H13 N O -","- C30 H26 N2 O2 -","2","1","","Mao, Ying; Wang, Zehua; Wang, Gang; Zhao, Ran; Kan, Linglong; Pan, Xiaoguang; Liu, Lei","Redox Deracemization of Tertiary Stereocenters Adjacent to an Electron-Withdrawing Group","ACS Catalysis","2020","","","7785","7791","10.1021/acscatal.0c02486","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0827","0.0843","","","","","","1.07","","","","has coordinates","256987","2020-10-21","18:00:00",""
"4517830","14.1589","0.0009","20.1568","0.0013","10.773","0.0006","90","","96.224","0.003","90","","3056.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 Fe2 N2 Si2 -","- C72 H88 Fe2 N2 Si2 -","- C144 H176 Fe4 N4 Si4 -","2","0.5","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.0912","0.0689","","","0.164","0.1755","","","","","","1.064","","","","has coordinates","253630","2020-10-21","18:00:00",""
"4517831","12.131","0.0007","12.86","0.0007","18.9741","0.0011","89.775","0.001","87.91","0.001","85.741","0.001","2949.9","0.3","100","2","99.95","","","","","","","","","6","P -1","-P 1","2","RJW_2_139","","","- C62 H82 Fe2 N2 O Si2 -","- C62 H82 Fe2 N2 O Si2 -","- C124 H164 Fe4 N4 O2 Si4 -","2","1","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.0416","0.0378","","","0.0987","0.1019","","","","","","1.075","","","","has coordinates","253631","2020-10-21","18:00:00",""
"4517832","22.1414","0.0016","11.2865","0.0009","17.5402","0.0014","90","","90","","90","","4383.3","0.6","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H36 Fe N Si -","- C21 H36 Fe N Si -","- C168 H288 Fe8 N8 Si8 -","8","1","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.1522","0.1452","","","0.3275","0.3304","","","","","","1.294","","","","has coordinates","253632","2020-10-21","18:00:00",""
"4517833","7.8459","0.0009","9.8098","0.0012","11.0823","0.0012","90","","101.069","0.003","90","","837.1","0.17","299","2","299.05","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 I N2 O2 -","- C15 H21 I N2 O2 -","- C30 H42 I2 N4 O4 -","2","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0396","0.03","","","0.0548","0.0583","","","","","","1.064","","","","has coordinates","254767","2020-10-21","18:00:00",""
"4517834","11.3057","0.0009","11.237","0.001","12.7785","0.001","90","","113.087","0.002","90","","1493.4","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0574","0.0368","","","0.0797","0.0885","","","","","","1.073","","","","has coordinates","254767","2020-10-21","18:00:00",""
"4517835","12.0312","0.0002","17.5337","0.0002","17.5386","0.0002","90","","90","","90","","3699.79","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H50 B12 N12 Ni O -","- C24 H50 B12 N12 Ni O -","- C96 H200 B48 N48 Ni4 O4 -","4","1","","Zhao, Xue; Yang, Ziqiong; Kuklin, Artem V.; Baryshnikov, Glib V.; Agren, Hans; Liu, Wenjing; Zhang, Haibo; Zhou, Xiaohai","BCN Encapsulated Nano-nickel Synergistically Promotes Ambient Electrochemical Dinitrogen Reduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06649","","x-ray","1.54184","CuKα","","0.0737","0.0726","","","0.1847","0.1873","","","","","","1.078","","","","has coordinates,has disorder","254027","2020-10-21","18:00:00",""
"4517836","8.656","0.0005","14.5247","0.001","14.4235","0.001","90","","95.387","0.003","90","","1805.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cp*Ir(2pyridyl-sulfonamide)nitrate","","","- C15 H20 Ir N3 O5 S -","- C15 H20 Ir N3 O5 S -","- C60 H80 Ir4 N12 O20 S4 -","4","1","","Tensi, Leonardo; Macchioni, Alceo","Extremely Fast NADH-Regeneration Using Phosphonic Acid as Hydride Source and Iridium-pyridine-2-sulfonamidate Catalysts","ACS Catalysis","2020","","","7945","","10.1021/acscatal.0c02261","","","0.71073","Mo-Ka","","0.0223","0.0199","","","0.0488","0.0502","","","","","","1.029","","","","has coordinates","254028","2020-10-21","18:00:00",""
"4517837","15.342","0.007","6.244","0.006","10.989","0.007","90","","100.86","0.01","90","","1033.8","1.3","298","","298","","","","101.325","","","","","2","C 1 2/c 1","-C 2yc","15","","Zinc Hydroxide Dihydrate","","- O12 Zn5 -","- H14 O12 Zn5 -","- H56 O48 Zn20 -","4","0.5","","Gordeeva, Alisa; Hsu, Ying-Jui; Jenei, Istvan Z.; Brant Carvalho, Paulo H. B.; Simak, Sergei I.; Andersson, Ove; Häussermann, Ulrich","Layered Zinc Hydroxide Dihydrate, Zn<sub>5</sub>(OH)<sub>10</sub>·2H<sub>2</sub>O, from Hydrothermal Conversion of ε-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its Transformation to Nanocrystalline ZnO.","ACS omega","2020","5","28","17617","17627","10.1021/acsomega.0c02075","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.030127","3.2013","","","","","","","has coordinates","254766","2020-10-21","18:00:00",""
"4517838","18.3983","0.0005","13.9556","0.0003","20.8118","0.0006","90","","109.351","0.003","90","","5041.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H46 O P2 Pd -","- C61 H46 O P2 Pd -","- C244 H184 O4 P8 Pd4 -","4","1","","Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng","Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide","ACS Catalysis","2020","","","7968","","10.1021/acscatal.0c01687","","x-ray","1.54184","CuKα","","0.0655","0.044","","","0.099","0.111","","","","","","0.989","","","","has coordinates","254118","2020-10-21","18:00:00",""
"4517839","10.0446","0.0007","12.2899","0.0007","17.0614","0.0009","76.398","0.005","74.831","0.005","88.404","0.005","1974.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","2","","Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng","Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide","ACS Catalysis","2020","","","7968","","10.1021/acscatal.0c01687","","x-ray","0.71073","MoKα","","0.0687","0.0528","","","0.1257","0.1392","","","","","","1.042","","","","has coordinates,has disorder","254119","2020-10-21","18:00:00",""
"4517840","7.6102","0.001","5.5255","0.0006","14.639","0.002","90","","90","","90","","615.57","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","Indole","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0561","0.0494","","","0.1208","0.1272","","","","","","1.107","","","","has coordinates,has disorder","254764","2020-10-21","18:00:00",""
"4517841","9.3176","0.0007","5.2878","0.0004","14.2479","0.0013","90","","90","","90","","701.99","0.1","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","7-Methylindole","","- C9 H9 N -","- C9 H9 N -","- C36 H36 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0566","0.0389","","","0.0784","0.089","","","","","","1.074","","","","has coordinates,has disorder","254764","2020-10-21","18:00:00",""
"4517842","8.6942","0.0006","5.3788","0.0004","31.905","0.002","90","","95.078","0.006","90","","1486.16","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1H-indole-2-methanol","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0923","0.0556","","","0.1307","0.1569","","","","","","1.027","","","","has coordinates,has disorder","255799","2020-10-21","18:00:00",""
"4517843","17.5632","0.0013","15.4812","0.0011","8.2466","0.0005","90","","90","","90","","2242.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Indole-3-carbinol","","- C9 H9 N O -","- C9 H9 N O -","- C108 H108 N12 O12 -","12","3","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0991","0.0639","","","0.144","0.168","","","","","","1.0376","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517844","3.87758","0.00014","7.6453","0.0003","23.7995","0.0009","90","","90","","90","","705.54","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 -","- C9 H6 N2 -","- C36 H24 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0353","0.0326","","","0.0768","0.0789","","","","","","1.11","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517845","3.75839","0.00009","12.0667","0.0003","15.8045","0.0004","90","","90.73","0.002","90","","716.7","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitroindole","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0422","0.038","","","0.1058","0.1098","","","","","","1.044","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517846","8.452","0.0003","10.5415","0.0004","7.3742","0.0003","90","","90","","90","","657.02","0.04","100","2","100","0.01","","","","","","","","3","P n a 21","P 2c -2n","33","","5-aminoindole","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.036","0.034","","","0.089","0.0911","","","","","","1.043","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517847","4.163","0.007","14.96","0.02","19.62","0.03","90","","90","","90","","1222","3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(thiophen-2-yl)prop-2-en-1-one","","- C12 H12 N2 O2 S -","- C12 H13 N2 O2 S -","- C48 H52 N8 O8 S4 -","4","1","","Tighadouini, Said; Radi, Smaail; El Massaoudi, Mohamed; Lakbaibi, Zouhair; Ferbinteanu, Marilena; Garcia, Yann","Efficient and Environmentally Friendly Adsorbent Based on β-Ketoenol-Pyrazole-Thiophene for Heavy-Metal Ion Removal from Aquatic Medium: A Combined Experimental and Theoretical Study.","ACS omega","2020","5","28","17324","17336","10.1021/acsomega.0c01616","","x-ray","0.71075","MoKα","","0.369","0.1786","","","0.4108","0.5506","","","","","","1.0011","","","","has coordinates","254765","2020-10-21","18:00:00",""
"4517848","9.3968","0.0005","9.484","0.0005","11.9025","0.0006","103.496","0.005","93.933","0.004","90.76","0.004","1028.55","0.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O2 Pd -","- C25 H24 N2 O2 Pd -","- C50 H48 N4 O4 Pd2 -","2","1","","Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng","Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study","ACS Catalysis","2020","","","8212","8222","10.1021/acscatal.0c02025","","","0.71073","MoKα","","0.0556","0.0407","","","0.0642","0.0726","","","","","","1.072","","","","has coordinates","257025","2020-10-21","18:00:00",""
"4517849","14.1106","0.001","6.7889","0.0005","20.7976","0.0017","90","","92.295","0.007","90","","1990.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O2 Pd -","- C19 H24 N4 O2 Pd -","- C76 H96 N16 O8 Pd4 -","4","1","","Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng","Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study","ACS Catalysis","2020","","","8212","8222","10.1021/acscatal.0c02025","","","0.71073","MoKα","","0.0572","0.0383","","","0.0777","0.0893","","","","","","1.058","","","","has coordinates","257025","2020-10-21","18:00:00",""
"4517850","6.53867","0.00007","6.85703","0.00006","35.6756","0.0003","90","","90","","90","","1599.55","0.03","140.01","0.13","140.01","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Shou-Guo; Cramer, Nicolai","Asymmetric CpxRh(III)-Catalyzed Acrylic Acid C‒H Functionalization with Allenes Provides Chiral γ-Lactones","ACS Catalysis","2020","","","8231","8236","10.1021/acscatal.0c02430","","x-ray","1.54184","CuKα","","0.0264","0.0256","","","0.0655","0.0663","","","","","","1.055","","","","has coordinates","257045","2020-10-21","18:00:00",""
"4517851","9.2261","0.0003","9.7377","0.0004","22.6198","0.0009","90","","90","","90","","2032.19","0.13","170","2","169.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O -","- C25 H23 F N2 O -","- C100 H92 F4 N8 O4 -","4","1","","Shen, Yang; Shen, Meng-Lan; Wang, Pu-Sheng","Light-Mediated Chiral Phosphate Catalysis for Asymmetric Dicarbofunctionalization of Enamides","ACS Catalysis","2020","","","8247","8253","10.1021/acscatal.0c02660","","","1.34139","GaKα","","0.0427","0.0386","","","0.0925","0.096","","","","","","1.064","","","","has coordinates","257044","2020-10-21","18:00:00",""
"4517852","8.8821","0.0006","8.8821","0.0006","6.2698","0.0006","90","","90","","90","","494.64","0.07","200","2","200","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- C2 I6 N4 Sn2 -","- C2 I6 N4 Sn2 -","- C2 I6 N4 Sn2 -","1","0.0625","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0442","0.042","","","0.1225","0.1233","","","","","","1.474","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517853","8.8379","0.0011","8.8379","0.0011","12.4066","0.0017","90","","90","","90","","969.1","0.2","100","2","100","2","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- C H5 I3 N2 Sn -","- C H5 I3 N2 Sn -","- C4 H20 I12 N8 Sn4 -","4","0.5","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0449","0.0429","","","0.1325","0.1344","","","","","","1.075","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517854","6.3074","0.0015","6.3074","0.0015","6.3074","0.0015","90","","90","","90","","250.93","0.1","298","2","298","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- I3 Mn Sn -","- I3 Mn Sn -","- I3 Mn Sn -","1","0.0208333","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0434","0.0394","","","0.0758","0.0775","","","","","","1.251","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517855","6.3075","0.0003","19.6917","0.0011","12.4837","0.0007","90","","90","","90","","1550.54","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saha, Urmila; Das, Bhriguram; Dolai, Malay; Butcher, Ray J.; Suresh Kumar, Gopinatha","Adaptable DNA-Interactive Probe Proficient at Selective Turn-On Sensing for Al3+: Insight from the Crystal Structure, Photophysical Studies, and Molecular Logic Gate","ACS Omega","2020","5","29","18411","18423","10.1021/acsomega.0c02226","","","0.71073","MoKα","","0.0665","0.0552","","","0.127","0.1335","","","","","","1.049","","","","has coordinates","257062","2020-10-21","18:00:00",""
"4517856","12.9952","0.0018","12.9952","0.0018","10.177","0.002","90","","90","","120","","1488.4","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C1.77 H3.53 N0.22 Na0.45 O8.34 Si4 -","- C1.768 H3.536 N0.221 Na0.446 O8.344 Si4 -","- C10.608 H21.216 N1.326 Na2.676 O50.064 Si24 -","6","1","","Lee, Hwajun; Choi, Wanuk; Choi, Hyun June; Hong, Suk Bong","PST-33: A Four-Layer ABC-6 Zeolite with the Stacking Sequence AABC","ACS Materials Letters","2020","2","8","981","985","10.1021/acsmaterialslett.0c00232","","","0.7","","","0.1202","0.1026","","","0.2975","0.3185","","","","","","1.074","","","","has coordinates,has disorder","257087","2020-10-21","18:00:00",""
"4517857","19.9143","0.001","10.6749","0.0006","20.1936","0.0009","90","","92.357","0.004","90","","4289.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F N3 O2 S -","- C26 H20 F N3 O2 S -","- C208 H160 F8 N24 O16 S8 -","8","1","","Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones","ACS Catalysis","2020","","","8402","8408","10.1021/acscatal.0c02683","","x-ray","0.71073","MoKα","","0.0614","0.0489","","","0.1163","0.1254","","","","","","1.039","","","","has coordinates","257031","2020-10-21","18:00:00",""
"4517858","19.925","0.004","10.806","0.002","20.27","0.004","90","","92.45","0.03","90","","4360.3","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C208 H168 N24 O16 S8 -","8","1","","Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones","ACS Catalysis","2020","","","8402","8408","10.1021/acscatal.0c02683","","","0.71073","MoKα","","0.0525","0.0471","","","0.1234","0.1295","","","","","","1.053","","","","has coordinates","257031","2020-10-21","18:00:00",""
"4517859","24.012","0.0018","14.093","0.0009","16.6128","0.0016","90","","107.838","0.01","90","","5351.5","0.8","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C72 H84 K3 O60 -","- C72 H84 K3 O60 -","- C144 H168 K6 O120 -","2","0.5","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","x-ray","1.54184","CuKα","","0.1175","0.077","","","0.2018","0.2293","","","","","","0.938","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4517860","11.5709","0.0001","15.9742","0.0001","26.5954","0.0001","90","","90","","90","","4915.78","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 Na O31 -","- C36 H57 Na O31 -","- C144 H228 Na4 O124 -","4","1","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","","1.54178","CuKα","","0.047","0.0468","","","0.1386","0.1388","","","","","","1.097","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4517861","9.491","0.0004","9.491","0.0004","27.7364","0.0011","90","","90","","90","","2498.47","0.18","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0199","0.0181","","","0.0426","0.0429","","","","","","1.07","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4517862","9.4877","0.0006","9.4877","0.0006","27.766","0.002","90","","90","","90","","2499.4","0.3","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0186","0.0165","","","0.0375","0.0378","","","","","","1.063","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4517863","19.127","0.005","8.086","0.002","11.449","0.003","90","","102.525","0.004","90","","1728.6","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 Si4 -","- C34 H44 N2 Si4 -","- C68 H88 N4 Si8 -","2","0.5","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.056","0.039","","","0.1058","0.1189","","","","","","1.023","","","","has coordinates","254433","2020-10-21","18:00:00",""
"4517864","12.2428","0.0012","13.0239","0.0012","15.2844","0.0015","68.417","0.002","84.32","0.002","63.486","0.002","2021.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 Si2 -","- C30 H32 N2 Si2 -","- C90 H96 N6 Si6 -","3","1.5","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.0927","0.054","","","0.1291","0.1511","","","","","","1.02","","","","has coordinates","254434","2020-10-21","18:00:00",""
"4517865","12.2392","0.0012","12.9941","0.0013","16.2298","0.0017","67.242","0.002","89.579","0.002","77.246","0.002","2312.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 Si -","- C28 H26 N2 Si -","- C112 H104 N8 Si4 -","4","2","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.0859","0.0497","","","0.1194","0.1387","","","","","","1.027","","","","has coordinates","254435","2020-10-21","18:00:00",""
"4517866","22.0243","0.0008","11.7091","0.0004","20.0877","0.0007","90","","105.69","0.001","90","","4987.3","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53.44 H50.88 N4 O8.72 Zn -","- C53.436 H50.872 N4 O8.718 Zn -","- C213.744 H203.488 N16 O34.872 Zn4 -","4","1","","Xu, Yuan; Tao, Chen-Lei; Yu, Maoxing; Xiong, Yi; Ouyang, Ya-Ni; Liu, Xun-Gao; Zhao, Zujin","Tetraphenylethene-Based Luminescent Metal-Organic Framework for Effective Differentiation of <i>cis/trans</i> Isomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10702","","","0.71073","MoKα","","0.1135","0.0734","","","0.186","0.2142","","","","","","1.188","","","","has coordinates,has disorder","254511","2020-10-21","18:00:00",""
"4517867","22.0754","0.0008","11.5498","0.0004","20.1047","0.0007","90","","107.846","0.001","90","","4879.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 N3 O6 Zn -","- C47 H37 N3 O6 Zn -","- C188 H148 N12 O24 Zn4 -","4","1","","Xu, Yuan; Tao, Chen-Lei; Yu, Maoxing; Xiong, Yi; Ouyang, Ya-Ni; Liu, Xun-Gao; Zhao, Zujin","Tetraphenylethene-Based Luminescent Metal-Organic Framework for Effective Differentiation of <i>cis/trans</i> Isomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10702","","","0.71073","MoKα","","0.0722","0.0676","","","0.1913","0.1945","","","","","","1.069","","","","has coordinates,has disorder","254512","2020-10-21","18:00:00",""
"4517868","12.7623","0.00006","28.938","0.00009","5.3229","0.00004","90","","90","","90","","1965.83","0.018","100","","100","","","","","","","","synthesised","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.1168","0.1096","","0.2805","0.2774","0.2687","","","","","","1.0336","","","","has coordinates","254513","2020-10-21","18:00:00",""
"4517869","8.697","0.005","4.949","0.003","23.171","0.012","90","","94.349","0.014","90","","994.4","1","100","","100","","","","","","","","synthesised","4","P 1 21 1","P 2yb","4","","","","- C21 H34 N2 O2 -","- C21 H34 N2 O2 -","- C42 H68 N4 O4 -","2","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.0467","0.0363","","0.0918","0.0841","0.0918","","","","","","0.9748","","","","has coordinates","254514","2020-10-21","18:00:00",""
"4517870","19.047","0.005","8.804","0.0013","24.664","0.004","90","","105.975","0.014","90","","3976.2","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3k","6-(4-methylbenzene-1-sulfonyl)-5-[(4-methylphenyl)sulfanyl]hexanoic acid","","- C20 H24 O4 S2 -","- C20 H24 O4 S2 -","- C160 H192 O32 S16 -","8","2","","Gadde, Karthik; Mampuys, Pieter; Guidetti, Andrea; Ching, H. Y. Vincent; Herrebout, Wouter A.; Van Doorslaer, Sabine; Abbaspour Tehrani, Kourosch; Maes, Bert U. W.","Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis","ACS Catalysis","2020","","","8765","8779","10.1021/acscatal.0c02159","","","1.54187","CuKα","","0.0776","0.0611","","","0.1621","0.1863","","","","","","1.066","","","","has coordinates,has disorder","257033","2020-10-21","18:00:00",""
"4517871","13.2032","0.0001","17.7108","0.0001","13.3568","0.0001","90","","104.055","0.001","90","","3029.84","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N2 O Rb2 -","- C30 H44 N2 O Rb2 -","- C120 H176 N8 O4 Rb8 -","4","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","1.54184","CuKα","","0.0247","0.0234","","","0.0589","0.0599","","","","","","1.027","","","","has coordinates","254555","2020-10-21","18:00:00",""
"4517872","11.0782","0.0007","13.4018","0.0008","13.8529","0.0008","64.885","0.004","85.879","0.005","69.433","0.005","1736.3","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 Cs2 N2 O3 -","- C32 H51 Cs2 N2 O3 -","- C64 H102 Cs4 N4 O6 -","2","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.0351","0.0251","","","0.0546","0.0572","","","","","","0.99","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517873","36.5255","0.0007","12.5779","0.0002","21.3866","0.0005","90","","105.589","0.002","90","","9463.9","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H152 N4 O9 Rb4 -","- C92 H152 N4 O9 Rb4 -","- C368 H608 N16 O36 Rb16 -","4","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.0825","0.0517","","","0.106","0.1186","","","","","","1.036","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517874","39.16","0.02","12.227","0.004","21.282","0.007","90","","104.4","0.04","90","","9870","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H80 Cs2 N2 O5 -","- C48 H80 Cs2 N2 O5 -","- C384 H640 Cs16 N16 O40 -","8","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.076","0.0624","","","0.1321","0.1378","","","","","","1.211","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517875","10.8185","0.0002","16.2139","0.0005","22.5926","0.0006","107.709","0.003","95.3396","0.0019","90.349","0.002","3756.32","0.18","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4,4',4'',4'''-(5,5-dimethoxycyclopenta-1,3-diene-1,2,3,4-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline)","","- C88 H79 Cl3 N4 O10 -","- C88 H79 Cl3 N4 O10 -","- C176 H158 Cl6 N8 O20 -","2","1","","Akin, Seckin; Bauer, Michael; Uchida, Ryusuke; Arora, Neha; Jacopin, Gwenole; Liu, Yuhang; Hertel, Dirk; Meerholz, Klaus; Mena-Osteritz, Elena; Bäuerle, Peter; Zakeeruddin, Shaik Mohammed; Dar, M. Ibrahim; Grätzel, Michael","Cyclopentadithiophene-Based Hole-Transporting Material for Highly Stable Perovskite Solar Cells with Stabilized Efficiencies Approaching 21%","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00811","","x-ray","1.54184","CuKα","","0.0655","0.0535","","","0.1438","0.1544","","","","","","1.032","","","","has coordinates,has disorder","254598","2020-10-21","18:00:00",""
"4517876","18.0404","0.0003","18.0404","0.0003","20.6034","0.0004","90","","90","","90","","6705.5","0.2","293","2","293","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C108 H52 N4 O36 Zr6 -","- C108 H52 N4 O36 Zr6 -","- C108 H52 N4 O36 Zr6 -","1","0.0625","","Kong, Xiang-Jing; Ji, Xiaoting; He, Tao; Xie, Lin-Hua; Zhang, Yong-Zheng; Lv, Haoyuan; Ding, Caifeng; Li, Jian-Rong","Green-Emission Metal-Organic Framework-Based Nanoprobe for Imaging Dual Tumor Biomarkers in Living Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10038","","","1.54178","CuKα","","0.1127","0.0928","","","0.2728","0.2994","","","","","","0.997","","","","has coordinates","254599","2020-10-21","18:00:00",""
"4517877","24.6518","0.0005","17.795","0.0003","19.3911","0.0004","90","","102.588","0.002","90","","8302","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H30 Cl2 F6 O4 -","- C152 H30 Cl2 F6 O4 -","- C608 H120 Cl8 F24 O16 -","4","1","","Xing, Zhou; Li, Shu-Hui; Xie, Fang-Fang; Xu, Piao-Yang; Deng, Lin-Long; Zhong, Xinxian; Xie, Su-Yuan","Mixed Fullerene Electron Transport Layers with Fluorocarbon Chains Assembling on the Surface: A Moisture-Resistant Coverage for Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10074","","x-ray","1.54184","CuKα","","0.0693","0.058","","","0.1526","0.1646","","","","","","1.023","","","","has coordinates","254622","2020-10-21","18:00:00",""
"4517878","12.9355","0.0009","32.461","0.002","10.3029","0.0007","90","","109.28","0.002","90","","4083.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 F6 Ir N4 O4 P -","- C46 H36 F6 Ir N4 O4 P -","- C184 H144 F24 Ir4 N16 O16 P4 -","4","1","","Gupta, Ajay; Prasad, Puja; Gupta, Shalini; Sasmal, Pijus K.","Simultaneous Ultrasensitive Detection and Elimination of Drug-Resistant Bacteria by Cyclometalated Iridium(III) Complexes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c11161","","","0.71073","MoKα","","0.0784","0.0468","","","0.0874","0.0984","","","","","","1.116","","","","has coordinates","254623","2020-10-21","18:00:00",""
"4517879","17.0512","0.0008","20.0506","0.0009","22.7296","0.001","90","","90","","90","","7770.9","0.6","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H109.5 Cl Cr2 N5.5 O5 -","- C74 H108 Cl Cr2 N5 O5 -","- C296 H432 Cl4 Cr8 N20 O20 -","4","1","","Lipinski, Bryce M.; Walker, Katherine L.; Clayman, Naomi E.; Morris, Lilliana S.; Jugovic, Timothy M. E.; Roessler, Allison G.; Getzler, Yutan D. Y. L.; MacMillan, Samantha N.; Zare, Richard N.; Zimmerman, Paul M.; Waymouth, Robert M.; Coates, Geoffrey W.","Mechanistic Study of Isotactic Poly(propylene oxide) Synthesis using a Tethered Bimetallic Chromium Salen Catalyst","ACS Catalysis","2020","","","8960","8967","10.1021/acscatal.0c02135","","","0.71073","MoKα","","0.0673","0.0511","","","0.0993","0.1047","","","","","","1.026","","","","has coordinates","257019","2020-10-21","18:00:00",""
"4517880","39.4522","0.0006","39.4522","0.0006","16.5041","0.0003","90","","90","","120","","22246.7","0.6","200","2","200","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C44.33 H22 Ni0.44 O17 Zr3 -","- C44 H22 Ni0.44 O17 Zr3 -","- C264 H132 Ni2.64 O102 Zr18 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.0543","0.0502","","","0.1483","0.152","","","","","","1.085","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517881","39.903","0.006","39.903","0.006","12.022","0.002","90","","90","","120","","16577","4","200","2","200.02","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C34 H16 Br2 Ni0.4 O17.3 Zr3 -","- C34 H16 Br2 Ni0.4 O17.3 Zr3 -","- C204 H96 Br12 Ni2.4 O103.8 Zr18 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","","1.54178","CuKα","","0.0607","0.0567","","","0.1802","0.1869","","","","","","1.09","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517882","28.2651","0.0007","28.2651","0.0007","28.2651","0.0007","90","","90","","90","","22581.4","1","200","2","199.98","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10 H7 Ni0.1 O4 Zr0.75 -","- C10 H7 Ni0.1 O4 Zr0.75 -","- C240 H168 Ni2.4 O96 Zr18 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.1675","0.1542","","","0.4908","0.5183","","","","","","2.538","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517883","40.4333","0.0011","40.4333","0.0011","11.4682","0.0005","90","","90","","120","","16236.9","0.9","200","2","200.02","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C34.8 H16 Br2 Hf3 Ni0.44 O16 -","- C34.8 H16 Br2 Hf3 Ni0.44 O16 -","- C208.8 H96 Br12 Hf18 Ni2.64 O96 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.0883","0.0865","","","0.2509","0.2529","","","","","","1.089","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517884","39.601","0.003","39.601","0.003","16.4314","0.0013","90","","90","","120","","22316","3","250","2","250","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C11 H6 Hf0.81 Ni0.16 O4 -","- C11 H6 Hf0.81 Ni0.16 O4 -","- C264 H144 Hf19.44 Ni3.84 O96 -","24","1","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.2239","0.2024","","","0.5301","0.5487","","","","","","2.441","","","","has coordinates","257036","2020-10-21","18:00:00",""
"4517885","11.8293","0.0013","27.142","0.003","21.819","0.002","90","","96.844","0.008","90","","6955.5","1.3","296","2","296.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H15 Cu N5 O6 -","- C18 H15 Cu N5 O6 -","- C144 H120 Cu8 N40 O48 -","8","1","","Das, Prasenjit; Mandal, Sanjay K.","Unprecedented High Temperature CO2 Selectivity and Effective Chemical Fixation by a Copper-Based Undulated Metal-Organic Framework.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09024","","","0.71073","MoKα","","0.1828","0.1179","","","0.3286","0.3721","","","","","","1.058","","","","has coordinates","255116","2020-10-21","18:00:00",""
"4517886","9.128","0.006","7.415","0.007","14.724","0.01","90","","100.939","0.014","90","","978.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N O -","- C5 H6 N O -","- C40 H48 N8 O8 -","8","4","","Ji, Wei; Xue, Bin; Bera, Santu; Guerin, Sarah; Liu, Yanqing; Yuan, Hui; Li, Qi; Yuan, Chengqian; Shimon, Linda J. W.; Ma, Qing; Kiely, Evan; Tofail, Syed A. M.; Si, Mingsu; Yan, Xuehai; Cao, Yi; Wang, Wei; Yang, Rusen; Thompson, Damien; Li, Junbai; Gazit, Ehud","Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation","ACS Nano","2020","","","","","10.1021/acsnano.0c05367","","","0.71073","MoKα","","0.0533","0.0341","","","0.0941","0.1077","","","","","","0.992","","","","has coordinates","255118","2020-10-21","18:00:00",""
"4517887","12.216","0.002","14.294","0.002","11.882","0.002","90","","90","","90","","2074.8","0.6","100","2","100","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","0.5","","Ji, Wei; Xue, Bin; Bera, Santu; Guerin, Sarah; Liu, Yanqing; Yuan, Hui; Li, Qi; Yuan, Chengqian; Shimon, Linda J. W.; Ma, Qing; Kiely, Evan; Tofail, Syed A. M.; Si, Mingsu; Yan, Xuehai; Cao, Yi; Wang, Wei; Yang, Rusen; Thompson, Damien; Li, Junbai; Gazit, Ehud","Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation","ACS Nano","2020","","","","","10.1021/acsnano.0c05367","","","0.71073","MoKα","","0.1051","0.0573","","","0.1","0.1145","","","","","","1.087","","","","has coordinates","255119","2020-10-21","18:00:00",""
"4517888","8.1746","0.0005","11.1625","0.0007","13.359","0.0009","106.939","0.003","98.293","0.003","96.435","0.003","1138.52","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H30 N12 O8 -","- C13 H30 N12 O8 -","- C26 H60 N24 O16 -","2","1","","Cai, He; Zhang, Xingwang; Lei, Lecheng; Xiao, Chengliang","Direct CO<sub>2</sub> Capture from Air via Crystallization with a Trichelating Iminoguanidine Ligand.","ACS omega","2020","5","32","20428","20437","10.1021/acsomega.0c02460","","","0.71073","MoKα","","0.1287","0.0662","","","0.1546","0.1852","","","","","","1.008","","","","has coordinates,has disorder","255859","2020-10-21","18:00:00",""
"4517889","16.2707","","8.4478","","8.1981","","90","","91.212","","90","","1126.59","","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 K2 N2 O12 -","- C20 H14 K2 N2 O12 -","- C40 H28 K4 N4 O24 -","2","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Switching of Electron and Ion Conductions by Reversible H2O Sorption in n-Type Organic Semiconductors","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c09501","","","1.54187","CuKα","","0.1777","0.1001","","","0.2504","0.3308","","","","","","0.934","","","","has coordinates","255208","2020-10-21","18:00:00",""
"4517890","7.6233","0.0004","7.8881","0.0004","13.5115","0.0007","90","","91.9018","0.0016","90","","812.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl2 N O -","- C18 H21 Cl2 N O -","- C36 H42 Cl4 N2 O2 -","2","1","","Rong, Zi-Qiang; Yu, Zhaoyuan; Weng, Cheng; Yang, Li-Cheng; Lu, Shenci; Lan, Yu; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols Assisted by Microwave: Stereoconvergent Access to Tetralin- and Indane-Derived Chiral Amines","ACS Catalysis","2020","","","9464","","10.1021/acscatal.0c02468","","","0.71073","MoKα","","0.0259","0.0247","","","0.0644","0.0652","","","","","","1.065","","","","has coordinates","255212","2020-10-21","18:00:00",""
"4517891","9.4887","0.0001","9.8639","0.0001","26.3497","0.0002","90","","90","","90","","2466.22","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N3 O7 -","- C27 H29 N3 O7 -","- C108 H116 N12 O28 -","4","1","","Ghosh, Moumita; Bera, Santu; Schiffmann, Sarah; Shimon, Linda J. W.; Adler-Abramovich, Lihi","Collagen-Inspired Helical Peptide Coassembly Forms a Rigid Hydrogel with Twisted Polyproline II Architecture","ACS Nano","2020","","","","","10.1021/acsnano.0c03085","","","1.54184","CuKα","","0.0313","0.0308","","","0.0769","0.0773","","","","","","1.043","","","","has coordinates","255213","2020-10-21","18:00:00",""
"4517892","10.7289","0.0005","11.1254","0.0005","25.2451","0.0012","90","","91.502","0.001","90","","3012.3","0.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Nariyangadu, Sesha Bamini; Choedak, Tenzin; Malar, Ezekiel Joy Padma; Chen, Junsheng; Thyrhaug, Erling; Kumar, Pushpendra; Zhou, Jinming; Yechuri, Vidyalakshmi; Pal, Suman Kalyan; Lidin, Sven; Thangadhorai, Kejalakshmy Namassivayane; Karki, Khadga J.; Pullerits, Tönu","New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate.","ACS omega","2020","5","33","20863","20873","10.1021/acsomega.0c02303","","x-ray","0.71073","MoKα","","0.1064","0.0537","","","0.1413","0.159","","","","2.4","2.4","1.92","","","","has coordinates","255862","2020-10-21","18:00:00",""
"4517893","28.996","0.002","13.7875","0.0008","15.47","0.0009","90","","112.995","0.004","90","","5693.2","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H49 Cl10 Fe2 N7 O7 -","- C48 H49 Cl10 Fe2 N7 O7 -","- C192 H196 Cl40 Fe8 N28 O28 -","4","0.5","","Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay","Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c08616","","","0.71073","MoKα","","0.0909","0.0498","","","0.1231","0.1461","","","","","","0.962","","","","has coordinates","255317","2020-10-21","18:00:00",""
"4517894","15.6929","0.0017","13.9942","0.0015","27.243","0.003","90","","98.547","0.008","90","","5916.4","1.1","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C46 H46 Br8 Cl2 Fe2 N8 O7 -","- C46 H46 Br8 Cl2 Fe2 N8 O7 -","- C184 H184 Br32 Cl8 Fe8 N32 O28 -","4","0.5","","Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay","Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c08616","","","0.71073","MoKα","","0.1348","0.0774","","","0.1544","0.1838","","","","","","1.083","","","","has coordinates","255318","2020-10-21","18:00:00",""
"4517895","8.3566","0.0004","11.5633","0.0006","21.3776","0.0011","85.813","0.002","86.27","0.002","69.084","0.002","1922.76","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H37 Cl Fe I4 N5 O5 -","- C28 H37 Cl Fe I4 N5 O5 -","- C56 H74 Cl2 Fe2 I8 N10 O10 -","2","1","","Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay","Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c08616","","","0.71073","MoKα","","0.0462","0.0389","","","0.1062","0.113","","","","","","1.048","","","","has coordinates","255319","2020-10-21","18:00:00",""
"4517896","7.9811","0.0003","10.8039","0.0004","11.8435","0.0004","68.2887","0.0018","81.0025","0.0019","65.8247","0.0016","865.56","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C40 H32 N8 O8 -","2","1","","Oka, Yoshimi","Cesium Cation Complexation by a Flavin Receptor via Self-Assembly and Deprotonation.","ACS omega","2020","5","33","21226","21230","10.1021/acsomega.0c03006","","","1.54187","CuKα","","","0.0471","","","","0.1325","","","","","","0.981","","","","has coordinates","255863","2020-10-21","18:00:00",""
"4517897","10.1941","0.0014","15.966","0.002","12.8443","0.0018","90","","103.751","0.006","90","","2030.6","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N6 Ni2 O10 -","- C42 H50 N6 Ni2 O10 -","- C84 H100 N12 Ni4 O20 -","2","0.5","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.1655","0.0609","","","0.1024","0.1359","","","","","","0.982","","","","has coordinates","257072","2020-10-21","18:00:00",""
"4517898","10.2641","0.0008","16.8498","0.0013","13.0024","0.001","90","","98.545","0.003","90","","2223.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 Ni O6 -","- C22 H29 N3 Ni O6 -","- C88 H116 N12 Ni4 O24 -","4","1","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.0292","0.0249","","","0.0618","0.0641","","","","","","1.048","","","","has coordinates","257072","2020-10-21","18:00:00",""
"4517899","12.813","0.004","5.8882","0.0014","6.7088","0.0013","90","","118.25","0.02","90","","445.9","0.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 O6 Zr -","- C2 H2 O6 Zr -","- C8 H8 O24 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","powder diffraction","x-ray","1.5418","CuKα","","0.0417","0.0417","","0.06","0.06","","","","4.45","","","","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517900","6.9269","0.0003","10.4427","0.0006","10.6447","0.0006","78.421","0.002","86.155","0.002","89.945","0.002","752.56","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","1","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0378","0.0282","","","0.0529","0.0566","","","","","","1.045","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517901","13.8646","0.0009","10.4241","0.0006","8.929","0.0005","90","","95.743","0.003","90","","1284","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Na2 O14 Zr -","- C6 H4 Na2 O14 Zr -","- C24 H16 Na8 O56 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0368","0.0286","","","0.0534","0.0572","","","","","","1.068","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517902","9.2166","0.0009","11.169","0.001","14.094","0.0015","90","","107.718","0.005","90","","1382","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 K O16 Zr -","- C6 H9 K O16 Zr -","- C24 H36 K4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0422","0.0291","","","0.0593","0.064","","","","","","1.06","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517903","9.3411","0.0007","11.1701","0.0008","14.2537","0.0009","90","","107.699","0.002","90","","1416.85","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O16 Zr -","- C6 H13 N O16 Zr -","- C24 H52 N4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.034","0.0248","","","0.0583","0.0624","","","","","","1.043","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517904","7.7027","0.0005","8.9788","0.0006","10.6518","0.0007","79.179","0.003","72.476","0.004","76.975","0.003","678.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 O15 Rb Zr -","- C6 H3 O15 Rb Zr -","- C12 H6 O30 Rb2 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0524","0.0367","","","0.09","0.0986","","","","","","1.026","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517905","7.7318","0.0004","9.1847","0.0005","10.6352","0.0005","78.861","0.002","72.333","0.002","77.713","0.002","696.41","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Cs O15 Zr -","- C6 H3 Cs O15 Zr -","- C12 H6 Cs2 O30 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0486","0.0377","","","0.0949","0.102","","","","","","0.973","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517906","7.63471","0.00012","7.63471","0.00012","7.63471","0.00012","90","","90","","90","","445.018","0.012","40","","40","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","7.6","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517907","7.63463","0.00011","7.63463","0.00011","7.63463","0.00011","90","","90","","90","","445.004","0.011","20","","20","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.39","7.64","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517908","7.63471","0.00012","7.63471","0.00012","7.63471","0.00012","90","","90","","90","","445.018","0.012","120","","120","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.29","7.66","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517909","7.63536","0.00013","7.63536","0.00013","7.63536","0.00013","90","","90","","90","","445.132","0.013","180","","180","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.24","7.75","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517910","7.63664","0.00011","7.63664","0.00011","7.63664","0.00011","90","","90","","90","","445.356","0.011","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.23","7.68","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517911","7.6351","0.00013","7.6351","0.00013","7.6351","0.00013","90","","90","","90","","445.086","0.013","160","","160","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.72","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517912","7.63496","0.00013","7.63496","0.00013","7.63496","0.00013","90","","90","","90","","445.062","0.013","140","","140","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.26","7.69","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517913","7.63603","0.00011","7.63603","0.00011","7.63603","0.00011","90","","90","","90","","445.249","0.011","220","","220","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.26","7.68","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517914","7.63458","0.00012","7.63458","0.00012","7.63458","0.00012","90","","90","","90","","444.995","0.012","60","","60","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.58","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517915","7.63706","0.00011","7.63706","0.00011","7.63706","0.00011","90","","90","","90","","445.429","0.011","260","","260","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.2","7.69","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517916","7.63467","0.00012","7.63467","0.00012","7.63467","0.00012","90","","90","","90","","445.011","0.012","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.25","7.62","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517917","7.63563","0.00013","7.63563","0.00013","7.63563","0.00013","90","","90","","90","","445.179","0.013","200","","200","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.73","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517918","7.63757","0.00012","7.63757","0.00012","7.63757","0.00012","90","","90","","90","","445.518","0.012","280","","280","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.23","7.7","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517919","7.63863","0.00012","7.63863","0.00012","7.63863","0.00012","90","","90","","90","","445.704","0.012","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","7.71","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517920","7.63456","0.00012","7.63456","0.00012","7.63456","0.00012","90","","90","","90","","444.992","0.012","80","","80","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.25","7.6","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517921","7.47281","0.00014","7.47281","0.00014","7.47281","0.00014","90","","90","","90","","417.303","0.014","120","","120","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517922","7.47607","0.00016","7.47607","0.00016","7.47607","0.00016","90","","90","","90","","417.85","0.015","300","","300","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.05","5.82","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517923","7.4745","0.00017","7.4745","0.00017","7.4745","0.00017","90","","90","","90","","417.586","0.016","240","","240","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.03","5.74","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517924","7.4726","0.00012","7.4726","0.00012","7.4726","0.00012","90","","90","","90","","417.268","0.012","20","","20","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.19","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517925","7.47266","0.00011","7.47266","0.00011","7.47266","0.00011","90","","90","","90","","417.278","0.011","5","","5","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.17","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517926","7.47268","0.00015","7.47268","0.00015","7.47268","0.00015","90","","90","","90","","417.282","0.015","100","","100","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.05","5.78","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517927","7.47262","0.00014","7.47262","0.00014","7.47262","0.00014","90","","90","","90","","417.271","0.014","80","","80","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517928","7.47305","0.00014","7.47305","0.00014","7.47305","0.00014","90","","90","","90","","417.344","0.014","160","","160","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.78","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517929","7.47296","0.00013","7.47296","0.00013","7.47296","0.00013","90","","90","","90","","417.328","0.013","140","","140","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.77","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517930","7.47497","0.00016","7.47497","0.00016","7.47497","0.00016","90","","90","","90","","417.665","0.015","260","","260","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.76","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517931","7.47257","0.00014","7.47257","0.00014","7.47257","0.00014","90","","90","","90","","417.263","0.014","60","","60","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.79","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517932","7.47552","0.00015","7.47552","0.00015","7.47552","0.00015","90","","90","","90","","417.757","0.015","280","","280","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517933","7.4727","0.00009","7.4727","0.00009","7.4727","0.00009","90","","90","","90","","417.285","0.009","40","","40","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","5.79","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517934","7.47339","0.00013","7.47339","0.00013","7.47339","0.00013","90","","90","","90","","417.4","0.013","180","","180","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.07","5.74","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517935","7.47412","0.00011","7.47412","0.00011","7.47412","0.00011","90","","90","","90","","417.523","0.011","220","","220","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.07","5.72","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517936","7.47373","0.00014","7.47373","0.00014","7.47373","0.00014","90","","90","","90","","417.457","0.014","200","","200","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.04","5.77","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517937","7.68474","0.00008","7.68474","0.00008","7.68474","0.00008","90","","90","","90","","453.824","0.008","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","7.17","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517938","7.68392","0.00008","7.68392","0.00008","7.68392","0.00008","90","","90","","90","","453.679","0.008","280","","280","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.58","7.22","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517939","7.68194","0.00008","7.68194","0.00008","7.68194","0.00008","90","","90","","90","","453.328","0.008","200","","200","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.59","7.19","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517940","7.68083","0.00007","7.68083","0.00007","7.68083","0.00007","90","","90","","90","","453.132","0.007","40","","40","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","7.3","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517941","7.68092","0.00008","7.68092","0.00008","7.68092","0.00008","90","","90","","90","","453.148","0.008","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.67","7.26","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517942","7.68085","0.00008","7.68085","0.00008","7.68085","0.00008","90","","90","","90","","453.135","0.008","20","","20","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.77","7.27","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517943","7.68132","0.00008","7.68132","0.00008","7.68132","0.00008","90","","90","","90","","453.218","0.008","160","","160","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.68","7.21","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517944","7.68233","0.00008","7.68233","0.00008","7.68233","0.00008","90","","90","","90","","453.397","0.008","220","","220","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.55","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517945","7.68087","0.00007","7.68087","0.00007","7.68087","0.00007","90","","90","","90","","453.139","0.007","60","","60","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.7","7.29","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517946","7.6812","0.00008","7.6812","0.00008","7.6812","0.00008","90","","90","","90","","453.197","0.008","140","","140","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.69","7.21","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517947","7.68106","0.00007","7.68106","0.00007","7.68106","0.00007","90","","90","","90","","453.172","0.007","120","","120","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.76","7.22","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517948","7.68084","0.00008","7.68084","0.00008","7.68084","0.00008","90","","90","","90","","453.133","0.008","5","","5","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.05","7.38","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517949","7.68336","0.00008","7.68336","0.00008","7.68336","0.00008","90","","90","","90","","453.58","0.008","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","7.16","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517950","7.68092","0.00008","7.68092","0.00008","7.68092","0.00008","90","","90","","90","","453.148","0.008","80","","80","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","7.26","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517951","7.68153","0.00008","7.68153","0.00008","7.68153","0.00008","90","","90","","90","","453.256","0.008","180","","180","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517952","7.68284","0.00008","7.68284","0.00008","7.68284","0.00008","90","","90","","90","","453.488","0.008","240","","240","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.56","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517953","16.1569","0.0003","16.4325","0.0003","12.6862","0.0003","90","","93.273","0.002","90","","3362.67","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H64 Au2 Cl8 N24 O26 -","- C36 H64 Au2 Cl8 N24 O26 -","- C72 H128 Au4 Cl16 N48 O52 -","2","0.25","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.0406","0.0334","","","0.087","0.0896","","","","","","1.051","","","","has coordinates,has disorder","255400","2020-10-21","18:00:00",""
"4517954","16.1427","0.0004","16.3995","0.0004","12.696","0.0003","90","","93.083","0.002","90","","3356.18","0.14","101","2","101","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H32 Au Cl4 N12 O13 -","- C18 H32 Au Cl4 N12 O13 -","- C72 H128 Au4 Cl16 N48 O52 -","4","0.5","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.0278","0.0244","","","0.0625","0.0634","","","","","","1.075","","","","has coordinates","255401","2020-10-21","18:00:00",""
"4517955","14.4358","0.0002","14.4358","0.0002","58.4604","0.0011","90","","90","","90","","12182.7","0.3","100","0.1","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C72 H74 Au2 Br8 N48 O25 -","- C72 H74 Au1.9998 Br7.9992 N48 O25 -","- C288 H296 Au7.9992 Br31.9968 N192 O100 -","4","0.25","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.1064","0.0901","","","0.2526","0.2663","","","","","","1.016","","","","has coordinates,has disorder","255402","2020-10-21","18:00:00",""
"4517956","14.3299","0.0014","14.3772","0.0011","15.9853","0.0012","66.228","0.007","88.468","0.007","89.781","0.007","3012.8","0.5","100.01","0.12","100.01","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Au Br4 K0.5 N24 O12.5 -","- C36 H36 Au Br4 K0.5 N24 O12.5 -","- C72 H72 Au2 Br8 K N48 O25 -","2","1","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.2244","0.1468","","","0.3994","0.4354","","","","","","1.41","","","","has coordinates,has disorder","255403","2020-10-21","18:00:00",""
"4517957","16.2232","0.0003","16.5456","0.0003","12.685","0.0002","90","","93.6","0.0016","90","","3398.22","0.1","100","0.1","100","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C36 H64 Au2 Br3.43 Cl4.57 N24 O26 -","- C36 H64 Au2 Br3.432 Cl4.568 N24 O26 -","- C72 H128 Au4 Br6.864 Cl9.136 N48 O52 -","2","0.25","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.046","0.0363","","","0.0855","0.0882","","","","","","1.08","","","","has coordinates,has disorder","255404","2020-10-21","18:00:00",""
"4517958","7.213","0.002","9.427","0.002","13.291","0.005","73.712","0.006","82.58","0.007","86.521","0.01","859.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F3 N O4 -","- C19 H16 F3 N O4 -","- C38 H32 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0821","0.0462","","","0.0893","0.102","","","","","","1.063","","","","has coordinates","255861","2020-10-21","18:00:00",""
"4517959","10.547","0.003","9.089","0.002","10.569","0.003","90","","117.789","0.008","90","","896.3","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O4 -","- C20 H18 F3 N O4 -","- C40 H36 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0816","0.0474","","","0.0793","0.0907","","","","","","0.987","","","","has coordinates","255861","2020-10-21","18:00:00",""
"4517960","7.6889","0.0007","9.7991","0.0011","11.4575","0.0012","98.579","0.009","100.505","0.008","112.749","0.009","759.44","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C40 H36 N4 -","2","1","","Kumar, Inder; Gupta, Shiv Shankar; Kumar, Rakesh; Kumar, Rohit; Agrawal, Prakhar; Sahal, Dinkar; Sharma, Upendra","Photocatalytic Unsymmetrical Coupling of 2-Substituted Quinolines: Synthesis and Evaluation of the Antiplasmodial Potential of β-Norbenzomorphan Frameworks","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03415","","x-ray","1.54184","CuKα","","0.0654","0.0486","","","0.1305","0.1495","","","","","","1.021","","","","has coordinates","255408","2020-10-21","18:00:00",""
"4517961","12.2976","0.001","15.1864","0.001","17.2929","0.0007","98.138","0.004","108.822","0.005","105.573","0.007","2850.9","0.4","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 Eu5 N2 O47.5 -","- C84 H64 Eu5 N2 O47.5 -","- C84 H64 Eu5 N2 O47.5 -","1","0.5","","Dong, Jie; Hou, Sheng-Li; Zhao, Bin","Bimetallic Lanthanide-Organic Framework Membranes as a Self-Calibrating Luminescent Sensor for Rapidly Detecting Antibiotics in Water.","ACS applied materials & interfaces","2020","12","34","38124","38131","10.1021/acsami.0c09940","","x-ray","0.71073","MoKα","","0.1102","0.0777","","","0.209","0.2426","","","","","","1.045","","","","has coordinates","255858","2020-10-21","18:00:00",""
"4517962","14.7578","0.0005","13.4002","0.0005","25.2603","0.0009","90","","90","","90","","4995.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Br2 N3 Pd -","- C25 H31 Br2 N3 Pd -","- C200 H248 Br16 N24 Pd8 -","8","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0551","0.03","","","0.0632","0.0748","","","","","","1.046","","","","has coordinates","255424","2020-10-21","18:00:00",""
"4517963","7.0473","0.0011","9.0925","0.0016","10.9446","0.0019","95.726","0.006","103.104","0.005","101.05","0.005","662.8","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0928","0.0576","","","0.1398","0.1603","","","","","","1.06","","","","has coordinates","255425","2020-10-21","18:00:00",""
"4517964","14.9361","0.0011","11.3341","0.0009","20.2385","0.0016","90","","100.857","0.002","90","","3364.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Br N2 O -","- C17 H21 Br N2 O -","- C136 H168 Br8 N16 O8 -","8","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0877","0.0562","","","0.1522","0.1706","","","","","","1.061","","","","has coordinates","255426","2020-10-21","18:00:00",""
"4517965","10.3429","0.0008","16.4241","0.0013","10.7998","0.0008","90","","104.481","0.002","90","","1776.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Br N2 -","- C20 H27 Br N2 -","- C80 H108 Br4 N8 -","4","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.1028","0.0492","","","0.0876","0.1046","","","","","","1.056","","","","has coordinates","255427","2020-10-21","18:00:00",""
"4517966","13.873","0.005","10.292","0.004","16.064","0.006","90","","96.63","0.011","90","","2278.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Br2 N3 Pd -","- C22 H23 Br2 N3 Pd -","- C88 H92 Br8 N12 Pd4 -","4","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.2969","0.1754","","","0.4189","0.5053","","","","","","1.058","","","","has coordinates","255428","2020-10-21","18:00:00",""
"4517967","14.485","0.003","16.26","0.004","17.548","0.004","84.689","0.003","89.852","0.003","71.719","0.003","3906","1.5","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 B2 Ir N O4 P2 -","- C36 H60 B2 Ir N O4 P2 -","- C144 H240 B8 Ir4 N4 O16 P8 -","4","2","","Foley, Bryan J.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Combined Experimental and Computational Studies of the Mechanism of Dehydrogenative Borylation of Terminal Alkynes Catalyzed by PNP Complexes of Iridium","ACS Catalysis","2020","","","9824","9836","10.1021/acscatal.0c02455","","","0.71073","MoKα","","0.0724","0.0444","","","0.1082","0.1153","","","","","","1.087","","","","has coordinates,has disorder","256986","2020-10-21","18:00:00",""
"4517968","11.1225","0.0001","15.3457","0.0002","28.5934","0.0003","90","","97.894","0.001","90","","4834.15","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl2 N3 O2 -","- C27 H23 Cl2 N3 O2 -","- C216 H184 Cl16 N24 O16 -","8","2","","Lai, Xiangfeng; Che, Chao","Synthesis of Chromeno[4,3-b]pyrrol-4(1H)-ones through a Multicomponent Reaction and Cyclization Strategy","ACS Omega","2020","5","34","21968","21977","10.1021/acsomega.0c03589","","x-ray","1.54184","CuKα","","0.0493","0.0437","","","0.1148","0.1213","","","","","","1.021","","","","has coordinates,has disorder","257073","2020-10-21","18:00:00",""
"4517969","7.4091","0.0007","28.528","0.003","7.5842","0.0008","90","","119.424","0.007","90","","1396.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C56 H24 F16 N8 S8 -","8","2","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.072","0.0446","","","0.1028","0.1131","","","","","","0.972","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517970","7.868","0.0008","7.3367","0.0005","16.4544","0.0017","90","","99","0.008","90","","938.14","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F2 N O Se -","- C9 H5 F2 N O Se -","- C36 H20 F8 N4 O4 Se4 -","4","1","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0519","0.0457","","","0.1209","0.1247","","","","","","1.152","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517971","7.3939","0.0014","14.805","0.003","6.9469","0.0012","90","","115.779","0.013","90","","684.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C28 H12 F8 N4 S4 -","4","0.5","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0439","0.0399","","","0.1106","0.113","","","","","","1.179","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517972","6.834","0.0013","7.0649","0.0012","8.086","0.0014","71.016","0.013","79.716","0.014","68.033","0.013","341.65","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C14 H6 F4 N2 S2 -","2","1","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0324","0.0303","","","0.084","0.0852","","","","","","1.109","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517973","12.2427","0.0009","13.5652","0.001","17.6056","0.0012","90","","90","","90","","2923.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0632","0.047","","","0.1032","0.1094","","","","","","1.035","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517974","26.8597","0.0003","26.8597","0.0003","14.4115","0.0002","90","","90","","120","","9004.14","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C342 H558 N18 O36 -","18","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0428","0.0366","","","0.0952","0.0985","","","","","","1.073","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517975","8.857","0.0012","9.1079","0.0012","13.0615","0.0017","77.457","0.002","89.145","0.002","63.858","0.002","919.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0564","0.0437","","","0.1132","0.1188","","","","","","1.046","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517976","8.6116","0.0007","10.8216","0.0009","11.6061","0.0009","75.729","0.002","88.021","0.002","68.159","0.002","971","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C44 H58 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0549","0.0445","","","0.1216","0.1271","","","","","","1.056","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517977","10.612","0.0005","17.6733","0.0009","11.5549","0.0006","90","","115.593","0.0009","90","","1954.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0495","0.0398","","","0.104","0.1092","","","","","","1.039","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517978","5.8795","0.0003","9.886","0.0005","17.5739","0.0009","103.003","0.002","90.612","0.002","101.395","0.002","974.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0558","0.0427","","","0.1164","0.1253","","","","","","1.026","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517979","8.8839","0.0005","9.2186","0.0005","12.9607","0.0008","77.527","0.001","89.442","0.001","63.762","0.001","925.14","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 F N O2 -","- C21 H26 F N O2 -","- C42 H52 F2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0578","0.0456","","","0.1244","0.1335","","","","","","1.033","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517980","8.9789","0.0004","9.004","0.0004","13.8615","0.0006","73.5058","0.0009","87.9508","0.0009","63.4794","0.0008","956.04","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl N O2 -","- C21 H26 Cl N O2 -","- C42 H52 Cl2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0348","0.0328","","","0.0927","0.0945","","","","","","1.03","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517981","8.374","0.002","16.994","0.003","14.253","0.003","90","","102.068","0.007","90","","1983.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br N O2 -","- C21 H26 Br N O2 -","- C84 H104 Br4 N4 O8 -","4","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0375","0.0299","","","0.0734","0.0762","","","","","","1.043","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517982","9.2088","0.0006","10.4986","0.0006","12.2461","0.0007","92.3307","0.0012","109.11","0.0012","115.18","0.0011","989.72","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 I N O2 -","- C21 H26 I N O2 -","- C42 H52 I2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0217","0.0203","","","0.0509","0.0516","","","","","","1.062","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517983","23","0.5","24.8","0.5","30.1","0.6","90","","90","","90","","17169","6","293","2","293","2","","","","","","","","4","C c m e","-C 2ac 2ac","64","","","","- Al6.38 Ca3 O33 Si9.62 -","- Al6.4 Ca3 O33 Si9.6 -","- Al102.4 Ca48 O528 Si153.6 -","16","1","","Mugnaioli, Enrico; Lanza, Arianna E.; Bortolozzi, Giorgio; Righi, Lara; Merlini, Marco; Cappello, Valentina; Marini, Lara; Athanassiou, Athanassia; Gemmi, Mauro","Electron Diffraction on Flash-Frozen Cowlesite Reveals the Structure of the First Two-Dimensional Natural Zeolite","ACS Central Science","2020","","","","","10.1021/acscentsci.9b01100","","","0.0335","electron","","0.4471","0.4423","","","0.7412","0.7424","","","","","","3.954","","","","has coordinates","255628","2020-10-21","18:00:00",""
"4517984","23","0.5","24.4","0.5","25.4","0.5","90","","90","","90","","14254","5","293","2","293","2","","","","","","","","4","C c m e","-C 2ac 2ac","64","","","","- Al6.38 Ca1.5 O32 Si9.62 -","- Al6.4 Ca1.5 O32 Si9.6 -","- Al102.4 Ca24 O512 Si153.6 -","16","1","","Mugnaioli, Enrico; Lanza, Arianna E.; Bortolozzi, Giorgio; Righi, Lara; Merlini, Marco; Cappello, Valentina; Marini, Lara; Athanassiou, Athanassia; Gemmi, Mauro","Electron Diffraction on Flash-Frozen Cowlesite Reveals the Structure of the First Two-Dimensional Natural Zeolite","ACS Central Science","2020","","","","","10.1021/acscentsci.9b01100","","","0.0335","electron","","0.4698","0.4637","","","0.7578","0.7651","","","","","","3.626","","","","has coordinates","255629","2020-10-21","18:00:00",""
"4517985","7.3175","0.001","11.8808","0.001","40.778","0.007","90","","90","","90","","3545.1","0.8","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","avobenzone_form_2","1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","d’Agostino, Simone; Azzali, Alessandra; Casali, Lucia; Taddei, Paola; Grepioni, Fabrizia","Environmentally Friendly Sunscreens: Mechanochemical Synthesis and Characterization of β-CD Inclusion Complexes of Avobenzone and Octinoxate with Improved Photostability","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c02735","","x-ray","0.71073","MoKα","","0.2632","0.0761","","","0.0928","0.1399","","","","","","0.96","","","","has coordinates,has disorder","255631","2020-10-21","18:00:00",""
"4517986","10.734","0.0003","10.815","0.0002","13.738","0.0004","67.142","0.001","85.858","0.001","73.156","0.002","1405.06","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Fe2 N4 O5 -","- C32 H28 Fe2 N4 O5 -","- C64 H56 Fe4 N8 O10 -","2","1","","Provis-Evans, Cei B.; Lau, Samantha; Krewald, Vera; Webster, Ruth L.","Regioselective Alkyne Cyclotrimerization with an In Situ-Generated [Fe(II)H(salen)]·Bpin Catalyst","ACS Catalysis","2020","","","10157","10168","10.1021/acscatal.0c03068","","","0.71073","MoKα","","0.0672","0.0404","","","0.0837","0.0933","","","","","","1.035","","","","has coordinates","257037","2020-10-21","18:00:00",""
"4517987","11.2862","0.0003","9.2093","0.0002","13.1111","0.0003","90","","109.258","0.003","90","","1286.49","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang","Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation","ACS Catalysis","2020","","","10149","10156","10.1021/acscatal.0c01841","","x-ray","1.54184","CuKα","","0.0581","0.0547","","","0.1418","0.1461","","","","","","1.054","","","","has coordinates","257054","2020-10-21","18:00:00",""
"4517988","8.31074","0.00018","13.9007","0.0003","8.8665","0.0002","90","","96.992","0.002","90","","1016.69","0.04","289.9","0.8","289.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang","Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation","ACS Catalysis","2020","","","10149","10156","10.1021/acscatal.0c01841","","x-ray","1.54184","CuKα","","0.0584","0.055","","","0.1432","0.1487","","","","","","1.037","","","","has coordinates","257054","2020-10-21","18:00:00",""
"4517989","23.7778","0.0005","23.7778","0.0005","15.0626","0.0004","90","","90","","120","","7375.2","0.3","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- C18 N12 -","- C18 N12 -","- C324 N216 -","18","0.5","","Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav","Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c12388","","","0.71073","MoKα","","0.0782","0.0622","","","0.1427","0.151","","","","","","1.181","","","","has coordinates","255715","2020-10-21","18:00:00",""
"4517990","13.049","0.0006","13.049","0.0006","39.4798","0.0018","90","","90","","90","","6722.5","0.5","165","2","165","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C11 H3 Ag F3 N7 O5 S -","- C11 H3 Ag F3 N7 O5 S -","- C176 H48 Ag16 F48 N112 O80 S16 -","16","1","","Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav","Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c12388","","","0.71073","MoKα","","0.033","0.0303","","","0.0751","0.0768","","","","","","1.058","","","","has coordinates,has disorder","255716","2020-10-21","18:00:00",""
"4517991","8.5597","0.0014","9.5439","0.0015","14.732","0.002","90","","105.399","0.016","90","","1160.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O -","- C14 H12 F N O -","- C56 H48 F4 N4 O4 -","4","1","","Su, Jianke; Ma, Xingxing; Ou, Zongliang; Song, Qiuling","Deconstructive Functionalizations of Unstrained Carbon‒Nitrogen Cleavage Enabled by Difluorocarbene","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00779","","x-ray","0.71073","MoKα","","0.0833","0.0499","","","0.1305","0.1509","","","","","","0.851","","","","has coordinates","255756","2020-10-21","18:00:00",""
"4517992","9.9709","0.0001","9.9709","0.0001","26.4892","0.0005","90","","90","","90","","2633.53","0.06","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H31 In N2 O16 -","- C24 H31 In N2 O16 -","- C96 H124 In4 N8 O64 -","4","0.25","","Gao, Hui; He, Yan-Bin; Hou, Juan-Juan; Zhai, Quan-Guo; Zhang, Xian-Ming","Enhanced Proton Conductivity by Aliovalent Substitution of Cadmium for Indium in Dimethylaminium-Templated Metal Anilicates.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13125","","","1.54184","CuKα","","0.0508","0.0491","","","0.1324","0.1338","","","","","","1.106","","","","has coordinates,has disorder","255825","2020-10-21","18:00:00",""
"4517993","9.3492","0.0001","9.3492","0.0001","28.4254","0.0006","90","","90","","90","","2484.59","0.06","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H32 Cd N2 O16 -","- C24 H32 Cd N2 O16 -","- C96 H128 Cd4 N8 O64 -","4","0.25","","Gao, Hui; He, Yan-Bin; Hou, Juan-Juan; Zhai, Quan-Guo; Zhang, Xian-Ming","Enhanced Proton Conductivity by Aliovalent Substitution of Cadmium for Indium in Dimethylaminium-Templated Metal Anilicates.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13125","","","1.54178","CuKα","","0.0383","0.0362","","","0.0917","0.0931","","","","","","1.166","","","","has coordinates,has disorder","255826","2020-10-21","18:00:00",""
"4517994","14.963","0.003","12.0779","0.0015","28.792","0.005","90","","105.06","","90","","5024.6","1.5","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Si2 -","- C27 H34 Si2 -","- C216 H272 Si16 -","8","1","","Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin","Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes","ACS Catalysis","2020","","","10516","","10.1021/acscatal.0c02522","","","0.71073","MoKα","","0.1276","0.0608","","","0.0973","0.1229","","","","","","0.923","","","","has coordinates","255827","2020-10-21","18:00:00",""
"4517995","11.0772","0.0016","15.556","0.002","14.641","0.002","90","","110.201","0.017","90","","2367.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O2 -","- C30 H28 O2 -","- C120 H112 O8 -","4","1","","Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin","Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes","ACS Catalysis","2020","","","10516","","10.1021/acscatal.0c02522","","","0.71073","MoKα","","0.1171","0.069","","","0.1233","0.143","","","","","","1.054","","","","has coordinates","255828","2020-10-21","18:00:00",""
"4517996","10.1184","0.0006","15.462","0.0008","21.5377","0.001","71.492","0.002","78.041","0.002","81.087","0.002","3111.5","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H99 B Fe Mo N11 O P Si3 -","- C52 H99 B Fe Mo N11 O P Si3 -","- C104 H198 B2 Fe2 Mo2 N22 O2 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1333","0.0749","","0.2009","0.1655","0.2009","","","","","","0.971","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517997","19.4151","0.0009","12.4197","0.0005","12.5653","0.0005","90","","90","","90","","3029.9","0.2","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H48 Mo N5 P Si4 -","- C18 H48 Mo N5 P Si4 -","- C72 H192 Mo4 N20 P4 Si16 -","4","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0349","0.0288","","0.0657","0.0626","0.0657","","","","","","0.9885","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517998","25.3056","0.0015","19.7149","0.0015","13.1491","0.0008","90","","106.942","0.004","90","","6275.3","0.7","173","2","173.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C49 H72 Mo N5 P4 Rh Si3 -","- C49 H72 Mo N5 P4 Rh Si3 -","- C196 H288 Mo4 N20 P16 Rh4 Si12 -","4","0.5","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0974","0.0618","","","0.1594","0.1944","","","","","","1.09","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517999","15.583","0.0006","15.7178","0.0007","20.182","0.0009","90.53","0.001","102.107","0.001","114.559","0.001","4370.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.937 H143.748 B Fe Mo N14 O0.563 P Si3 -","- C149.874 H287.496 B2 Fe2 Mo2 N28 O1.126 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1089","0.0712","","","0.1811","0.2153","","","","","","1.072","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518000","15.5835","0.0006","15.7173","0.0007","20.184","0.0009","90.529","0.001","102.106","0.001","114.564","0.001","4370.4","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.938 H143.752 B Fe Mo N14 O0.562 P Si3 -","- C149.876 H287.504 B2 Fe2 Mo2 N28 O1.124 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1095","0.0713","","","0.1808","0.216","","","","","","1.069","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518001","15.5829","0.0006","15.7156","0.0007","20.1841","0.0009","90.527","0.001","102.106","0.001","114.566","0.001","4369.7","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144.01 B Fe Mo N14 O0.5 P Si3 -","- C75.002 H144.008 B Fe Mo N14 O0.498 P Si3 -","- C150.004 H288.016 B2 Fe2 Mo2 N28 O0.996 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0979","0.0628","","","0.1754","0.199","","","","","","1.026","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518002","15.5851","0.0006","15.7181","0.0007","20.1884","0.0009","90.525","0.001","102.11","0.001","114.568","0.001","4371.8","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144 B Fe Mo N14 O0.5 P Si3 -","- C75.001 H144.004 B Fe Mo N14 O0.499 P Si3 -","- C150.002 H288.008 B2 Fe2 Mo2 N28 O0.998 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1108","0.0707","","","0.1961","0.2312","","","","","","1.077","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518003","15.5853","0.0006","15.718","0.0007","20.1871","0.0009","90.525","0.001","102.105","0.001","114.569","0.001","4371.6","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.99 H143.98 B Fe Mo N14 O0.51 P Si3 -","- C74.994 H143.976 B Fe Mo N14 O0.506 P Si3 -","- C149.988 H287.952 B2 Fe2 Mo2 N28 O1.012 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1118","0.0712","","","0.1974","0.2322","","","","","","1.078","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518004","15.5855","0.0006","15.7156","0.0007","20.2048","0.0009","90.537","0.001","102.134","0.001","114.548","0.001","4374.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.96 H143.82 B Fe Mo N14 O0.54 P Si3 -","- C74.957 H143.828 B Fe Mo N14 O0.543 P Si3 -","- C149.914 H287.656 B2 Fe2 Mo2 N28 O1.086 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1115","0.073","","","0.1876","0.2238","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518005","15.5883","0.0006","15.7107","0.0007","20.2311","0.0009","90.545","0.001","102.223","0.001","114.537","0.001","4378.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.03 H144.11 B Fe Mo N14 O0.47 P Si3 -","- C75.031 H144.124 B Fe Mo N14 O0.469 P Si3 -","- C150.062 H288.248 B2 Fe2 Mo2 N28 O0.938 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.115","0.0719","","","0.1964","0.2309","","","","","","1.066","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518006","15.5911","0.0006","15.7056","0.0007","20.2558","0.0009","90.557","0.001","102.29","0.001","114.548","0.001","4381.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.98 H143.92 B Fe Mo N14 O0.52 P Si3 -","- C74.981 H143.924 B Fe Mo N14 O0.519 P Si3 -","- C149.962 H287.848 B2 Fe2 Mo2 N28 O1.038 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1116","0.0721","","","0.186","0.2224","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518007","15.5964","0.0007","15.705","0.0007","20.2728","0.001","90.555","0.001","102.339","0.001","114.568","0.001","4384.6","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.17 B Fe Mo N14 O0.46 P Si3 -","- C75.045 H144.18 B Fe Mo N14 O0.455 P Si3 -","- C150.09 H288.36 B2 Fe2 Mo2 N28 O0.91 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1172","0.0733","","","0.1988","0.2361","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518008","15.5984","0.0007","15.7039","0.0007","20.2878","0.001","90.557","0.001","102.371","0.001","114.583","0.001","4386.8","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.15 B Fe Mo N14 O0.46 P Si3 -","- C75.037 H144.148 B Fe Mo N14 O0.463 P Si3 -","- C150.074 H288.296 B2 Fe2 Mo2 N28 O0.926 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1188","0.0739","","","0.1999","0.2369","","","","","","1.061","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518009","15.6007","0.0007","15.7039","0.0007","20.3019","0.001","90.554","0.001","102.407","0.001","114.596","0.001","4389.3","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.18 B Fe Mo N14 O0.45 P Si3 -","- C75.044 H144.176 B Fe Mo N14 O0.456 P Si3 -","- C150.088 H288.352 B2 Fe2 Mo2 N28 O0.912 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1211","0.0744","","","0.1997","0.2388","","","","","","1.04","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518010","15.6017","0.0011","15.7015","0.0012","20.3141","0.0016","90.572","0.002","102.466","0.002","114.617","0.002","4389.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.21 B Fe Mo N14 O0.45 P Si3 -","- C75.05 H144.2 B Fe Mo N14 O0.45 P Si3 -","- C150.1 H288.4 B2 Fe2 Mo2 N28 O0.9 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1278","0.0772","","","0.2077","0.2502","","","","","","1.023","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518011","19.771","0.009","13.978","0.006","16.975","0.008","90","","90.001","","90","","4691","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H72 N15 P3 -","- C39 H72 N15 P3 -","- C156 H288 N60 P12 -","4","1","","Wang, Lebin; Zhang, Jinbo; Zhao, Na; Ren, Chuanli; Liu, Shaofeng; Li, Zhibo","Synthesis of Tris-Phosphazene Bases with Triazine as Core and Their Applications for Efficient Ring-Opening Alternating Copolymerization of Epoxide and Anhydride: Notable Effect of Basicity and Molecular Size","ACS Macro Letters","2020","9","9","1398","1402","10.1021/acsmacrolett.0c00564","","","0.71073","MoKα","","0.139","0.074","","","0.1811","0.2069","","","","","","0.88","","","","has coordinates","257085","2020-10-21","18:00:00",""
"4518012","23.6761","0.0012","7.0053","0.0003","22.401","0.0012","90","","117.192","0.001","90","","3304.8","0.3","193","2","193","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H54 N15 P3 -","- C21 H54 N15 P3 -","- C84 H216 N60 P12 -","4","1","","Wang, Lebin; Zhang, Jinbo; Zhao, Na; Ren, Chuanli; Liu, Shaofeng; Li, Zhibo","Synthesis of Tris-Phosphazene Bases with Triazine as Core and Their Applications for Efficient Ring-Opening Alternating Copolymerization of Epoxide and Anhydride: Notable Effect of Basicity and Molecular Size","ACS Macro Letters","2020","9","9","1398","1402","10.1021/acsmacrolett.0c00564","","","0.71073","MoKα","","0.0638","0.0454","","","0.1043","0.1154","","","","","","1.052","","","","has coordinates","257085","2020-10-21","18:00:00",""
"4518013","7.301","0.005","20.365","0.015","24.831","0.018","90","","90","","90","","3692","5","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C96 H56 Co4 N48 O32 -","4","0.5","","Li, Yong-Zhi; Wang, Gang-Ding; Shi, Wen-Juan; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Efficient C<sub>2</sub>H<i> <sub>n</sub> </i> Hydrocarbons and VOC Adsorption and Separation in an MOF with Lewis Basic and Acidic Decorated Active Sites.","ACS applied materials & interfaces","2020","12","37","41785","41793","10.1021/acsami.0c12992","","","0.71073","MoKα","","0.1065","0.0574","","","0.1448","0.172","","","","","","1","","","","has coordinates","256980","2020-10-21","18:00:00",""
"4518014","17.1459","0.0006","19.6957","0.0008","21.0108","0.0008","93.42","0.003","112.713","0.003","112.979","0.003","5837.9","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H72 F12 N10 O2 P2 Ru2 -","- C110 H72 F12 N10 O2 P2 Ru2 -","- C220 H144 F24 N20 O4 P4 Ru4 -","2","1","","Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc","Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors","ACS Catalysis","2020","","","10614","","10.1021/acscatal.0c01577","","","0.71073","MoKα","","0.1143","0.0685","","","0.1511","0.1682","","","","","","0.977","","","","has coordinates,has disorder","255897","2020-10-21","18:00:00",""
"4518015","14.2194","0.0003","20.0432","0.0004","26.3213","0.0006","83.352","0.002","79.323","0.002","87.701","0.002","7320.9","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C70.5 H58 F12 N10 O3 P2 Ru2 -","- C70.5 H58 F12 N10 O3 P2 Ru2 -","- C282 H232 F48 N40 O12 P8 Ru8 -","4","2","","Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc","Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors","ACS Catalysis","2020","","","10614","","10.1021/acscatal.0c01577","","","0.71073","MoKα","","0.0637","0.0437","","","0.1028","0.1126","","","","","","1.012","","","","has coordinates,has disorder","255897","2020-10-21","18:00:00",""
"4518016","10.9602","0.0004","14.7542","0.0006","18.1626","0.0007","90","","94.857","0.001","90","","2926.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 S2 -","- C32 H32 N2 O4 S2 -","- C128 H128 N8 O16 S8 -","4","1","","Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin","Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives","ACS Catalysis","2020","","","10627","","10.1021/acscatal.0c02676","","","1.54178","CuKα","","0.0344","0.0328","","","0.0933","0.0998","","","","","","1.094","","","","has coordinates","255898","2020-10-21","18:00:00",""
"4518017","9.95","0.002","10.42","0.002","13.328","0.003","73.734","0.007","83.867","0.006","67.198","0.006","1222.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O4 S2 -","- C26 H28 N2 O4 S2 -","- C52 H56 N4 O8 S4 -","2","1","","Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin","Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives","ACS Catalysis","2020","","","10627","","10.1021/acscatal.0c02676","","","0.71073","MoKα","","0.0336","0.0308","","","0.0808","0.0828","","","","","","1.045","","","","has coordinates","255899","2020-10-21","18:00:00",""
"4518018","18.595","0.01","18.595","0.01","23.048","0.019","90","","90","","120","","6902","8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C66 H48 N12 Ni -","- C66 H48 N12 Ni -","- C198 H144 N36 Ni3 -","3","0.166667","","Dutta, Subhajit; Samanta, Partha; Joarder, Biplab; Let, Sumanta; Mahato, Debanjan; Babarao, Ravichandar; Ghosh, Sujit K.","A Water-Stable Cationic Metal-Organic Framework with Hydrophobic Pore Surfaces as an Efficient Scavenger of Oxo-Anion Pollutants from Water.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13563","","","0.71073","MoKα","","0.217","0.133","","","0.3093","0.3549","","","","","","1.213","","","","has coordinates","255929","2020-10-21","18:00:00",""
"4518019","18.5098","0.0003","17.0448","0.0003","25.1287","0.0005","90","","92.677","0.002","90","","7919.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Co2 N6 O18 S3 -","- C58 H48 Co2 N6 O18 S3 -","- C232 H192 Co8 N24 O72 S12 -","4","1","","Esrafili, Leili; Morsali, Ali; Dehghani Firuzabadi, Fahimeh; Retailleau, Pascal","Development of Porous Cobalt/Copper-doped Carbon Nanohybrids Derived from Functionalized MOF as Efficient Catalysts for the Ullmann Cross-coupling Reaction: Insights into the Active Centers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09912","","x-ray","0.71073","MoKα","","0.0965","0.0618","","","0.1372","0.1582","","","","","","1.072","","","","has coordinates","256255","2020-10-21","18:00:00",""
"4518020","9.6954","0.0002","10.1078","0.0004","22.4793","0.0008","97.438","0.003","97.121","0.002","90.238","0.002","2167.11","0.13","100","0.5","100","0.5","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 Br O2 -","- C27 H25 Br O2 -","- C108 H100 Br4 O8 -","4","4","","McLeod, David; Izzo, Joseph A.; Jørgensen, Danny K. B.; Lauridsen, Rune F.; Jørgensen, Karl Anker","Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition","ACS Catalysis","2020","","","10784","","10.1021/acscatal.0c03378","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1109","0.1128","","","","","","1.051","","","","has coordinates","256256","2020-10-21","18:00:00",""
"4518021","14.2489","0.0012","14.2542","0.0012","20.5358","0.0018","84.356","0.001","86.902","0.001","86.242","0.001","4137.1","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H82 B F24 Li Ni O7 P2 -","- C82 H82 B F24 Li Ni O7 P2 -","- C164 H164 B2 F48 Li2 Ni2 O14 P4 -","2","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.0809","0.0706","","","0.1979","0.2086","","","","","","1.03","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518022","13.151","0.003","13.356","0.003","24.585","0.006","86.239","0.002","81.17","0.003","87.895","0.003","4256.3","1.7","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C80.5 H85.6 B F24 K Ni O8 P2 -","- C80.5 H85.6 B F24 K Ni O8 P2 -","- C161 H171.2 B2 F48 K2 Ni2 O16 P4 -","2","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.1246","0.0926","","","0.2612","0.2941","","","","","","1.016","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518023","17.3656","0.0015","23.606","0.002","20.3261","0.0018","90","","103.682","0.001","90","","8095.9","1.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H68 B Cs F24 Ni O7 P2 -","- C76 H68 B Cs F24 Ni O7 P2 -","- C304 H272 B4 Cs4 F96 Ni4 O28 P8 -","4","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.1203","0.1011","","","0.2712","0.2907","","","","","","1.035","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518024","8.9756","0.0004","9.0718","0.0004","11.0372","0.0005","84.016","0.001","85.238","0.001","62.683","0.001","793.5","0.06","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N2 -","- C21 H18 N2 -","- C42 H36 N4 -","2","1","","Wang, Shengdong; Force, Guillaume; Guillot, Régis; Carpentier, Jean-François; Sarazin, Yann; Bour, Christophe; Gandon, Vincent; Lebœuf, David","Lewis Acid/Hexafluoroisopropanol: A Promoter System for Selective ortho-C-Alkylation of Anilines with Deactivated Styrene Derivatives and Unactivated Alkenes","ACS Catalysis","2020","","","10794","","10.1021/acscatal.0c02959","","x-ray","1.54178","CuKα","","0.0346","0.0329","","","0.0827","0.084","","","","","","1.067","","","","has coordinates","256258","2020-10-21","18:00:00",""
"4518025","11.8617","0.0007","14.6759","0.0008","11.3999","0.0007","90","","96.235","0.005","90","","1972.8","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 O6 P2 -","- C46 H46 O6 P2 -","- C92 H92 O12 P4 -","2","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1323","0.0608","","","0.1488","0.1905","","","","","","0.928","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518026","6.07681","0.00012","12.5823","0.0003","18.8446","0.0006","70.567","0.003","81.108","0.002","85.4235","0.0018","1341.83","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","1","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0946","0.0675","","","0.1785","0.1921","","","","","","1.077","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518027","11.0373","0.0003","20.9634","0.0004","24.3544","0.0005","76.4018","0.0017","81.4278","0.0017","80.7315","0.0019","5369.2","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl3 O3 P -","- C22 H20 Cl3 O3 P -","- C176 H160 Cl24 O24 P8 -","8","4","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1094","0.0657","","","0.2273","0.2632","","","","","","1.092","","","","has coordinates,has disorder","257063","2020-10-21","18:00:00",""
"4518028","11.6696","0.0003","12.2099","0.0003","16.0856","0.0004","78.793","0.002","71.385","0.002","77.94","0.002","2103.86","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 O6 P2 -","- C48 H50 O6 P2 -","- C96 H100 O12 P4 -","2","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0591","0.0478","","","0.1382","0.1466","","","","","","1.035","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518029","14.58208","0.00011","14.63153","0.00014","21.2423","0.0002","90","","96.8405","0.0008","90","","4499.96","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H54 O6 P2 -","- C53 H54 O6 P2 -","- C212 H216 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0568","0.0462","","","0.1172","0.1235","","","","","","1.038","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518030","23.019","0.005","9.024","0.0018","17.562","0.004","90","","95.31","0.03","90","","3632.4","1.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 O6 P2 -","- C44 H42 O6 P2 -","- C176 H168 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","","0.8","synchrotron","","0.0752","0.0656","","","0.1907","0.2064","","","","","","1.056","","","","has coordinates,has disorder","257063","2020-10-21","18:00:00",""
"4518031","19.383","0.004","20.236","0.004","19.392","0.004","90","","119.84","0.01","90","","6598","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 N2 O Pd S -","- C34 H38 Cl2 N2 O Pd S -","- C272 H304 Cl16 N16 O8 Pd8 S8 -","8","2","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0549","0.0397","","","0.0849","0.0952","","","","","","1.065","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518032","12.73","0.004","14.003","0.004","8.513","0.002","90","","106.232","0.01","90","","1457","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 N4 Ni -","- C32 H36 Cl2 N4 Ni -","- C64 H72 Cl4 N8 Ni2 -","2","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.1483","0.103","","","0.2373","0.2607","","","","","","1.061","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518033","24.275","0.005","24.275","0.005","18.364","0.006","90","","90","","90","","10821","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39.72 H58.29 Cl4 N4 Ni2 O3.43 -","- C39.716 H58.29 Cl4 N4 Ni2 O3.429 -","- C317.728 H466.32 Cl32 N32 Ni16 O27.432 -","8","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0793","0.053","","","0.1428","0.1747","","","","","","1.268","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518034","8.623","0.003","9.493","0.003","11.552","0.004","112.209","0.01","107.067","0.009","96.813","0.01","808.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0267","0.0223","","","0.0512","0.0543","","","","","","1.123","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518035","9.1117","0.0004","9.1126","0.0003","9.5279","0.0004","73.971","0.003","81.252","0.004","86.515","0.003","751.36","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","1","0.5","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","x-ray","0.71073","MoKα","","0.0855","0.065","","","0.1924","0.2076","","","","","","1.111","","","","has coordinates","257064","2020-10-21","18:00:00",""
"4518036","9.364","0.0004","12.4629","0.0004","12.6747","0.0003","105.516","0.002","102.852","0.003","102.045","0.003","1331.73","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","1","0.5","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","","1.54184","CuKα","","0.1021","0.0892","","","0.2384","0.2479","","","","","","1.093","","","","has coordinates","257064","2020-10-21","18:00:00",""
"4518037","16.6324","0.0008","12.5786","0.0005","23.5913","0.0012","90","","90.5504","0.0018","90","","4935.4","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O4 S -","- C29 H26 N2 O4 S -","- C232 H208 N16 O32 S8 -","8","2","","De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong","Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition","ACS Catalysis","2020","","","10905","","10.1021/acscatal.0c03014","","","0.71073","MoKα","","0.0579","0.0411","","","0.0952","0.107","","","","","","1.041","","","","has coordinates","256390","2020-10-21","18:00:00",""
"4518038","9.7732","0.0003","22.9861","0.0008","12.4889","0.0004","90","","107.777","0.0011","90","","2671.64","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O5 S -","- C30 H27 Cl N2 O5 S -","- C120 H108 Cl4 N8 O20 S4 -","4","1","","De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong","Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition","ACS Catalysis","2020","","","10905","","10.1021/acscatal.0c03014","","","0.71073","MoKα","","0.0545","0.0446","","","0.1047","0.1097","","","","","","1.061","","","","has coordinates","256391","2020-10-21","18:00:00",""
"4518039","7.25553","0.00003","7.4022","0.00004","47.0222","0.0002","90","","92.058","0.0004","90","","2523.79","0.02","170","0.13","170","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N4 O6 -","- C27 H26 N4 O6 -","- C108 H104 N16 O24 -","4","2","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0929","0.0935","","","","","","1.03","","","","has coordinates,has disorder","256408","2020-10-21","18:00:00",""
"4518040","6.4822","0.0001","15.0713","0.0002","16.8103","0.0002","90","","90","","90","","1642.29","0.04","110","0.1","110","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.74 H1.74 O0.35 -","- C1.73913 H1.73913 O0.347826 -","- C80 H80 O16 -","46","11.5","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0745","0.0768","","","","","","1.109","","","","has coordinates","256409","2020-10-21","18:00:00",""
"4518041","8.5976","0.0004","9.2734","0.0005","12.5694","0.0006","104.461","0.002","99.599","0.002","96.061","0.002","945.36","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 B N2 O3 S Si -","- C18 H22 B N2 O3 S Si -","- C36 H44 B2 N4 O6 S2 Si2 -","2","1","","Desrosiers, Vincent; Garcia, Cecilia Zavaleta; Fontaine, Frédéric-Georges","Boron Recycling in the Metal-Free Transfer C‒H Borylation of Terminal Alkynes and Heteroarenes","ACS Catalysis","2020","","","11046","","10.1021/acscatal.0c02682","","x-ray","1.54178","CuKα","","0.0485","0.0481","","","0.1336","0.1343","","","","","","1.032","","","","has coordinates,has disorder","256410","2020-10-21","18:00:00",""
"4518042","8.8921","0.0013","8.8921","0.0013","12.604","0.003","90","","90","","90","","996.6","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71359","X-ray","","0.1199","0.1091","","","0.126","0.1263","","","","7.55","7.55","7.05","","","","has coordinates","256982","2020-10-21","18:00:00",""
"4518043","8.8934","0.0013","8.8934","0.0013","12.671","0.003","90","","90","","90","","1002.2","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71073","MoKα","","0.0989","0.0904","","","0.1076","0.1084","","","","7.01","7.01","6.66","","","","has coordinates","256982","2020-10-21","18:00:00",""
"4518044","10.705","0.0003","11.4472","0.0004","13.9654","0.0005","97.31","0.003","112.09","0.002","95.568","0.002","1553.18","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Cl N4 O5 P -","- C34 H34 Cl N4 O5 P -","- C68 H68 Cl2 N8 O10 P2 -","2","1","","Garrido-González, José J.; Iglesias Aparicio, Ma Mercedes; García, Miguel Martínez; Simón, Luis; Sanz, Francisca; Morán, Joaquín R.; Fuentes de Arriba, Ángel L.","An Enzyme Model Which Mimics Chymotrypsin and N-Terminal Hydrolases","ACS Catalysis","2020","","","11162","","10.1021/acscatal.0c02121","","","1.54178","CuKα","","0.055","0.0418","","","0.1041","0.1129","","","","","","1.026","","","","has coordinates","256456","2020-10-21","18:00:00",""
"4518045","5.6074","0.0002","10.999","0.0004","11.5162","0.0004","70.359","0.003","87.896","0.003","80.916","0.003","660.45","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","1","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0345","0.0343","","","0.0943","0.0945","","","","","","1.029","","","","has coordinates","257074","2020-10-21","18:00:00",""
"4518046","16.6577","0.0003","9.0916","0.0002","11.5007","0.0002","90","","102.302","0.002","90","","1701.73","0.06","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H17 Cl3 N2 O6 -","- C13 H17 Cl3 N2 O6 -","- C52 H68 Cl12 N8 O24 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0388","0.0383","","","0.0992","0.0997","","","","","","1.014","","","","has coordinates,has disorder","257074","2020-10-21","18:00:00",""
"4518047","7.0716","0.0003","14.82","0.0004","15.8935","0.0006","90","","90","","90","","1665.66","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl2 N3 O5 -","- C13 H19 Cl2 N3 O5 -","- C52 H76 Cl8 N12 O20 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0609","0.0585","","","0.1546","0.1567","","","","","","1.02","","","","has coordinates","257074","2020-10-21","18:00:00",""
"4518048","10.4971","0.0003","16.3367","0.0005","19.0994","0.0005","84.845","0.001","76.776","0.001","86.857","0.001","3173.59","0.16","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","1","1","","Guo, Meng-Yue; Li, Peng; Yang, Shuai-Liang; Bu, Ran; Piao, Xian-Qing; Gao, En-Qing","Distinct and Selective Amine- and Anion-Responsive Behaviors of an Electron-Deficient and Anion-Exchangeable Metal-Organic Framework.","ACS applied materials & interfaces","2020","12","39","43958","43966","10.1021/acsami.0c14648","","","1.54178","CuKα","","0.0398","0.0377","","","0.0988","0.1006","","","","","","1.021","","","","has coordinates","256981","2020-10-21","18:00:00",""
"4518049","15.7093","0.0004","11.6599","0.0003","14.4112","0.0004","90","","111.737","0.003","90","","2451.98","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl8 N8 Pt2 S4 -","- C32 H56 Cl8 N8 Pt2 S4 -","- C64 H112 Cl16 N16 Pt4 S8 -","2","0.5","","Wang, Qi; Wang, Ning; Liu, Wenhui; Yan, Yan; Su, Hongmei; Wang, Min; Zhang, Guanju; Yang, Yanzhao","ESP‒ALIE Analysis as a Theoretical Tool for Identifying the Coordination Atoms of Possible Multisite Extractants: Validation and Prediction","ACS Sustainable Chemistry & Engineering","2020","8","38","14353","14364","10.1021/acssuschemeng.0c03934","","x-ray","1.54184","CuKα","","0.0539","0.0395","","","0.1286","0.1789","","","","","","1.197","","","","has coordinates","257095","2020-10-21","18:00:00",""
"4518050","6.95686","0.00016","4.79577","0.00013","28.14","0.0007","90","","94.683","0.002","90","","935.71","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NBTA","","","- C24 H14 N2 S2 -","- C24 H14 N2 S2 -","- C48 H28 N4 S4 -","2","0.5","","Wan, Yuejuan; Deng, Jian; Wu, Wanling; Zhou, Jiadong; Niu, Quan; Li, Haoyuan; Yu, Huakang; Gu, Cheng; Ma, Yuguang","Efficient Organic Light-Emitting Transistors Based on High-Quality Ambipolar Single Crystals.","ACS applied materials & interfaces","2020","12","39","43976","43983","10.1021/acsami.0c12842","","x-ray","1.54184","CuKα","","0.0411","0.0403","","","0.1158","0.1165","","","","","","1.078","","","","has coordinates","256983","2020-10-21","18:00:00",""
"4518051","9.8601","0.0003","5.6544","0.0002","44.1243","0.0015","90","","90","","90","","2460.06","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","2","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0624","0.0572","","","0.1283","0.1308","","","","","","1.094","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518052","9.2362","0.0003","10.9879","0.0003","23.7378","0.0007","90","","90","","90","","2409.06","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0744","0.059","","","0.1449","0.1549","","","","","","1.071","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518053","14.6389","0.0003","5.303","0.0001","13.1361","0.0003","90","","106.994","0.001","90","","975.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O -","- C12 H16 O -","- C48 H64 O4 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0385","0.0341","","","0.0837","0.0867","","","","","","1.049","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518054","9.1475","0.0002","19.6782","0.0005","7.9541","0.0002","90","","92.11","0.001","90","","1430.82","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 -","- C15 H28 O2 -","- C60 H112 O8 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0791","0.0729","","","0.1931","0.2031","","","","","","1.122","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518055","10.2481","0.0005","10.8413","0.0005","29.7499","0.0014","90","","94.192","0.002","90","","3296.5","0.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 F6 P2 Pt -","- C36 H24 Cl2 F6 P2 Pt -","- C144 H96 Cl8 F24 P8 Pt4 -","4","1","","Pham, Dianne; Deter, Carly J.; Reinard, Mariah C.; Gibson, Gregory A.; Kiselyov, Kirill; Yu, Wangjie; Sandulache, Vlad C.; St. Croix, Claudette M.; Koide, Kazunori","Using Ligand-Accelerated Catalysis to Repurpose Fluorogenic Reactions for Platinum or Copper","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00676","","","1.54178","CuKα","","0.0333","0.0246","","","0.066","0.0731","","","","","","0.779","","","","has coordinates","256532","2020-10-21","18:00:00",""
"4518056","13.1697","0.0001","8.5458","0.0001","33.8861","0.0003","90","","90","","90","","3813.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 S2 -","- C20 H24 O5 S2 -","- C160 H192 O40 S16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0307","","","0.0749","0.0767","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518057","27.5054","0.0002","7.159","0.0001","28.9864","0.0002","90","","91.009","0.001","90","","5706.86","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C128 H210 O13 -","- C128 H210 O13 -","- C256 H420 O26 -","2","0.5","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0354","0.0343","","","0.0922","0.0931","","","","","","1.036","","","","has coordinates,has disorder","256998","2020-10-21","18:00:00",""
"4518058","6.46515","0.00012","7.56208","0.00015","26.4823","0.0006","90","","93.8866","0.0018","90","","1291.74","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0438","0.0392","","","0.0938","0.0963","","","","","","1.064","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518059","13.4325","0.0004","9.9472","0.0003","15.5089","0.0005","90","","101.16","0.003","90","","2033.05","0.11","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B N O4 -","- C20 H30 B N O4 -","- C80 H120 B4 N4 O16 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","0.71073","MoKα","","0.069","0.0578","","","0.1043","0.1092","","","","","","1.057","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518060","11.66361","0.00012","15.02503","0.00019","11.25687","0.00012","90","","97.1362","0.001","90","","1957.44","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O4 S2 -","- C20 H22 F2 O4 S2 -","- C80 H88 F8 O16 S8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0333","0.0311","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518061","14.75517","0.0001","11.9167","0.00008","18.31913","0.00011","90","","93.7103","0.0006","90","","3214.35","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 O3 S -","- C37 H56 O3 S -","- C148 H224 O12 S4 -","4","2","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0323","","","0.0849","0.0859","","","","","","1.05","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518062","23.988","0.0003","6.72515","0.00007","18.4587","0.0002","90","","109.443","0.0012","90","","2808","0.06","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C128 H208 O16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0371","0.0345","","","0.0864","0.0883","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518063","9.7284","0.0006","10.1848","0.0006","21.6633","0.0013","90","","95.2937","0.0009","90","","2137.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Br2 N3 O4 -","- C19 H23 Br2 N3 O4 -","- C76 H92 Br8 N12 O16 -","4","0.5","","Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias","Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts","ACS Omega","2020","5","38","24954","24963","10.1021/acsomega.0c03883","","","0.71073","MoKα","","0.0255","0.022","","","0.0521","0.0535","","","","","","1.084","","","","has coordinates,has disorder","257075","2020-10-21","18:00:00",""
"4518064","14.8299","0.0005","7.4261","0.0003","11.4598","0.0004","90","","109.078","0.0009","90","","1192.73","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0611","0.0427","","","0.1086","0.1212","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518065","12.3333","0.0004","11.1772","0.0004","19.7023","0.0006","90","","101.316","0.001","90","","2663.2","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C144 H96 O24 -","8","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0802","0.0501","","","0.1143","0.1334","","","","","","1.017","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518066","11.0065","0.0003","13.6364","0.0003","7.4223","0.0002","90","","101.195","0.001","90","","1092.81","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F3 O3 -","- C13 H7 F3 O3 -","- C52 H28 F12 O12 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0647","0.0461","","","0.1334","0.1489","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518067","15.1068","0.0014","15.5306","0.0014","23.406","0.002","81.311","0.003","86.361","0.003","61.117","0.003","4752.9","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C91 H140 Cl2 N8 Nd2 O6 -","- C91 H140 Cl2 N8 Nd2 O6 -","- C182 H280 Cl4 N16 Nd4 O12 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0799","0.052","","","0.0922","0.1013","","","","","","1.036","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518068","11.4186","0.0004","19.3718","0.0008","28.121","0.001","90","","94.83","0.002","90","","6198.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.75 H72.75 Cl11.25 Dy N4 O3 -","- C48.75 H72.75 Cl11.25 Dy N4 O3 -","- C195 H291 Cl45 Dy4 N16 O12 -","4","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.1298","0.0647","","","0.1392","0.1652","","","","","","1.029","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518069","37.0064","0.0018","16.7595","0.0008","7.0881","0.0003","90","","90","","90","","4396.1","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H66 N4 Nd O3 -","- C45 H66 N4 Nd O3 -","- C180 H264 N16 Nd4 O12 -","4","0.5","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0767","0.0689","","","0.1562","0.1597","","","","","","1.199","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518070","9.3851","0.0019","11.778","0.003","14.503","0.003","102.267","0.007","92.88","0.007","94.271","0.006","1558.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Br3 N -","- C39 H30 Br3 N -","- C78 H60 Br6 N2 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0558","0.0374","","","0.0911","0.0997","","","","","","1.035","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518071","24.47","0.002","7.2574","0.0007","24.738","0.002","90","","96.321","0.005","90","","4366.5","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H72 N4 O3 -","- C45 H72 N4 O3 -","- C180 H288 N16 O12 -","4","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0812","0.0623","","","0.1706","0.1847","","","","","","1.032","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518072","8.7367","0.0003","10.4571","0.0003","15.233","0.0005","73.626","0.002","80.35","0.002","76.316","0.002","1289.72","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br3 F9 N -","- C24 H15 Br3 F9 N -","- C48 H30 Br6 F18 N2 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0435","0.0381","","","0.1011","0.1043","","","","","","1.043","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518073","13.7629","0.0016","13.7728","0.0017","15.5782","0.0018","66.403","0.006","77.303","0.006","75.695","0.006","2597.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H69 N7 O3 -","- C57 H69 N7 O3 -","- C114 H138 N14 O6 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0495","0.0403","","","0.1119","0.1194","","","","","","1.049","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518074","14.5635","0.0017","14.5635","0.0017","12.1646","0.0014","90","","90","","120","","2234.4","0.4","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 Dy F9 N4 O4 -","- C40.0002 H49.9998 Dy F9 N4 O4 -","- C80.0004 H99.9996 Dy2 F18 N8 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0397","0.0342","","","0.0885","0.0915","","","","","","1.076","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4518075","15.494","0.0017","15.494","0.0017","54.709","0.006","90","","90","","120","","11374","2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H45 F9 N4 O3 -","- C36 H45 F9 N4 O3 -","- C432 H540 F108 N48 O36 -","12","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0634","0.0554","","","0.1486","0.1548","","","","","","1.079","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518076","9.8699","0.0008","14.7597","0.0012","22.1202","0.0018","103.709","0.003","100.401","0.003","105.739","0.003","2908.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C63.25 H82 N4 Nd O5.75 -","- C63.25 H82 N4 Nd O5.75 -","- C126.5 H164 N8 Nd2 O11.5 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0436","0.0355","","","0.084","0.0914","","","","","","1.117","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518077","14.5759","0.0013","14.5759","0.0013","12.1484","0.0011","90","","90","","120","","2235.2","0.3","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 F9 N4 Nd O4 -","- C39.9996 H49.9992 F9 N4 Nd O4 -","- C79.9992 H99.9984 F18 N8 Nd2 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.023","0.0196","","","0.0474","0.0486","","","","","","1.055","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518078","8.594","0.009","14.579","0.014","11.552","0.014","90","","90.36","0.04","90","","1447","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cd I2 N3 O -","- C9 H11 Cd I2 N3 O -","- C36 H44 Cd4 I8 N12 O4 -","4","1","","Roy, Krittish; Jana, Srikanta; Ghosh, Sujoy Kumar; Mahanty, Biswajit; Mallick, Zinnia; Sarkar, Subrata; Sinha, Chittaranjan; Mandal, Dipankar","3D MOF Assisted Self-Polarized Ferroelectret: An Effective Auto-Powered Remote Healthcare Monitoring Approach.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c01749","","","0.71073","MoKα","","0.1245","0.1167","","","0.3312","0.3379","","","","","","1.585","","","","has coordinates","256631","2020-10-21","18:00:00",""
"4518079","26.828","0.014","26.828","0.014","26.828","0.014","90","","90","","90","","19309","17","298","2","298","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C14.5 H8 Cl0 Fe2 N0 O10 -","- C12 H8 Fe2 O10 -","- C288 H192 Fe48 O240 -","24","0.125","","Li, Yun-Wu; Zhang, Wen-Jie; Li, Jing; Ma, Hui-Yan; Du, Hong-Mei; Li, Da-Cheng; Wang, Su-Na; Zhao, Jin-Sheng; Dou, Jian-Min; Xu, Liqiang","Fe-MOF-Derived Efficient ORR/OER Bifunctional Electrocatalyst for Rechargeable Zinc-Air Batteries.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c11945","","","0.71073","MoKα","","0.1461","0.1189","","","0.3334","0.3602","","","","","","1.053","","","","has coordinates","256672","2020-10-21","18:00:00",""
"4518080","13.8385","0.0016","29.32","0.003","30.758","0.004","90","","90","","90","","12480","3","100","2","100","","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C44 H22 In O8 -","- C44 H22 In O8 -","- C352 H176 In8 O64 -","8","0.5","","Chen, Yongwei; Zhang, Xuan; Chen, Haoyuan; Drout, Riki J.; Chen, Zhijie; Mian, Mohammad Rasel; Maldonado, Rodrigo R.; Ma, Kaikai; Wang, Xingjie; Xia, Qibin; Li, Zhong; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Tuning the Atrazine Binding Sites in an Indium-Based Flexible Metal-Organic Framework.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13022","","x-ray","1.54178","CuKα","","0.0894","0.083","","","0.2502","0.2591","","","","","","1.095","","","","has coordinates,has disorder","256731","2020-10-21","18:00:00",""
"4518081","8.2522","0.0003","10.6947","0.0005","11.645","0.0005","88.833","0.001","86.13","0.001","88.885","0.001","1025","0.07","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27.38 Ir N O2.69 -","- C23 H27.382 Ir N O2.691 -","- C46 H54.764 Ir2 N2 O5.382 -","2","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.018","0.0179","","","0.0435","0.0436","","","","","","1.088","","","","has coordinates,has disorder","256733","2020-10-21","18:00:00",""
"4518082","11.2966","0.0003","17.3143","0.0004","23.2024","0.0005","101.869","0.0009","102.938","0.001","99.047","0.0008","4228.98","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N4 O Si -","- C30 H36 N4 O Si -","- C180 H216 N24 O6 Si6 -","6","3","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0824","0.0571","","","0.1521","0.1745","","","","","","1.043","","","","has coordinates","256734","2020-10-21","18:00:00",""
"4518083","11.3222","0.0003","18.4507","0.0005","14.6046","0.0004","90","","103.017","0.001","90","","2972.54","0.14","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Ir N Si -","- C32 H44 Ir N Si -","- C128 H176 Ir4 N4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0172","0.0165","","","0.0378","0.0382","","","","","","1.101","","","","has coordinates,has disorder","256735","2020-10-21","18:00:00",""
"4518084","20.944","0.001","8.1654","0.0004","12.3532","0.0006","90","","97.35","0.002","90","","2095.24","0.18","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F N O Si -","- C22 H28 F N O Si -","- C88 H112 F4 N4 O4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0477","0.0441","","","0.1188","0.1218","","","","","","1.059","","","","has coordinates","256736","2020-10-21","18:00:00",""
"4518085","7.4568","0.0002","20.0275","0.0005","27.8489","0.0007","88.958","0.001","84.338","0.001","80.073","0.001","4076.73","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H55.66 Cl2 N2 O2.83 Si2 -","- C39 H55.66 Cl2 N2 O2.83 Si2 -","- C156 H222.64 Cl8 N8 O11.32 Si8 -","4","2","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0713","0.0592","","","0.151","0.1624","","","","","","1.016","","","","has coordinates,has disorder","256737","2020-10-21","18:00:00",""
"4518086","24.9365","0.0009","11.3131","0.0004","8.3785","0.0003","90","","90","","90","","2363.65","0.15","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H31 N O Si -","- C26 H31 N O Si -","- C104 H124 N4 O4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0274","0.0274","","","0.0758","0.0758","","","","","","1.0695","","","","has coordinates,has disorder","256738","2020-10-21","18:00:00",""
"4518087","8.0636","0.0002","13.035","0.0004","15.6853","0.0005","90","","96.548","0.001","90","","1637.91","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 F N Si2 -","- C33 H48 F N Si2 -","- C66 H96 F2 N2 Si4 -","2","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0501","0.0465","","","0.1237","0.1312","","","","","","1.082","","","","has coordinates,has disorder","256739","2020-10-21","18:00:00",""
"4518088","6.3541","0.0003","11.5712","0.0003","32.2251","0.0004","90","","90","","90","","2369.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C104 H144 O16 S4 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.045","0.0406","","","0.1073","0.1114","","","","","","0.994","","","","has coordinates,has disorder","256740","2020-10-21","18:00:00",""
"4518089","12.22","0.004","12.6","0.005","12.894","0.004","90","","90","","90","","1985.3","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.0398","0.0355","","","0.0946","0.0987","","","","","","1.016","","","","has coordinates","256741","2020-10-21","18:00:00",""
"4518090","21.088","0.003","8.619","0.0013","17.432","0.003","90","","126.527","0.002","90","","2546","0.7","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Núñez Alonso, David; Pérez-Torralba, Marta; Claramunt, Rosa M.; Torralba, M. Carmen; Delgado-Martínez, Patricia; Alkorta, Ibon; Elguero, José; Roussel, Christian","Regiospecific Synthesis and Structural Studies of 3,5-Dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-ones and Comparison with 1,3-Dihydro-2H-benzo[b][1,4]diazepin-2-ones","ACS Omega","2020","","","","","10.1021/acsomega.0c03843","","","0.71073","MoKα","","0.091","0.0526","","","0.1378","0.1559","","","","","","1.072","","","","has coordinates","256765","2020-10-21","18:00:00",""
"4518091","12.8335","0.0002","14.5079","0.0002","25.395","0.0003","90","","90","","90","","4728.22","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Br2 O4 Si -","- C21 H34 Br2 O4 Si -","- C168 H272 Br16 O32 Si8 -","8","1","","Schäfers, Felix; Quach, Linda; Schwarz, J. Luca; Saladrigas, Mar; Daniliuc, Constantin G.; Glorius, Frank","Direct Access to Monoprotected Homoallylic 1,2-Diols via Dual Chromium/Photoredox Catalysis","ACS Catalysis","2020","","","11841","11847","10.1021/acscatal.0c03697","","","1.54178","CuKα","","0.0282","0.0272","","","0.0669","0.0675","","","","","","1.076","","","","has coordinates,has disorder","256806","2020-10-21","18:00:00",""
"4518092","10.8133","0.0011","18.3449","0.0019","22.899","0.002","90","","90","","90","","4542.4","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1211","0.0852","","","0.2218","0.2484","","","","","","1.049","","","","has coordinates","256828","2020-10-21","18:00:00",""
"4518093","18.048","0.008","18.048","0.008","18.684","0.008","90","","90","","90","","6086","5","153","2","153","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C212 H304 Cl8 F24 Mn4 N16 O36 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.0562","0.0512","","","0.1407","0.1469","","","","","","1.067","","","","has coordinates","256829","2020-10-21","18:00:00",""
"4518094","15.2678","0.0016","15.2678","0.0016","17.167","0.002","90","","90","","90","","4001.7","0.8","298","2","298","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 F6 Mn N4 O8 S2 -","- C36 H40 F6 Mn N4 O8 S2 -","- C144 H160 F24 Mn4 N16 O32 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1302","0.0491","","","0.0815","0.0989","","","","","","1.004","","","","has coordinates","256830","2020-10-21","18:00:00",""
"4518095","10.8038","0.0008","18.2978","0.0014","22.8902","0.0017","90","","90","","90","","4525.1","0.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1308","0.085","","","0.2314","0.2675","","","","","","1.086","","","","has coordinates","256831","2020-10-21","18:00:00",""
"4518096","34.9242","0.0003","34.9242","0.0003","24.1417","0.0002","90","","90","","120","","25500.7","0.4","99.98","0.13","99.98","0.13","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W.","Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters","ACS Central Science","2020","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.0624","0.0481","","","0.1217","0.1288","","","","","","0.953","","","","has coordinates,has disorder","256866","2020-10-21","18:00:00",""
"4518097","34.8668","0.0013","34.8668","0.0013","24.0968","0.0006","90","","90","","120","","25369.6","1.5","100","0.1","100","0.1","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W.","Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters","ACS Central Science","2020","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.1286","0.0793","","","0.192","0.2287","","","","","","0.929","","","","has coordinates","256867","2020-10-21","18:00:00",""
"4518098","20.838","0.005","9.193","0.002","8.4373","0.0019","90","","95.134","0.005","90","","1609.8","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-di-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecin-18-yldiazene","","- C32 H46 N2 O12 -","- C32 H46 N2 O12 -","- C64 H92 N4 O24 -","2","0.5","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1231","0.0885","","","0.2106","0.224","","","","","","1.037","","","","has coordinates,has disorder","256868","2020-10-21","18:00:00",""
"4518099","16.5989","0.0006","8.1632","0.0003","28.6162","0.0011","90","","92.816","0.004","90","","3872.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2-bromoethylammonium bromide","","- C48 H102 Br16 N10 O12 -","- C48 H102 Br16 N10 O12 -","- C96 H204 Br32 N20 O24 -","2","0.5","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1358","0.0823","","","0.1842","0.2111","","","","","","1.039","","","","has coordinates,has disorder","256869","2020-10-21","18:00:00",""
"4518100","12.5838","0.0003","16.0616","0.0004","17.8292","0.0005","71.082","0.001","79.353","0.001","80.748","0.001","3330.45","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2,7-bis(3-ammoniopropyl)benzo[lmn][3,8]phenanthrolinediium tetraperchlorate, acetonitrile and benzene solvate","","- C57 H78 Cl4 N7 O28 -","- C57 H78 Cl4 N7 O28 -","- C114 H156 Cl8 N14 O56 -","2","1","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1906","0.1119","","","0.3279","0.3653","","","","","","1.139","","","","has coordinates,has disorder","256871","2020-10-21","18:00:00",""
"4518101","7.5432","0.0001","17.2692","0.0003","18.1411","0.0003","90","","90","","90","","2363.15","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O2 S2 -","- C24 H38 O2 S2 -","- C96 H152 O8 S8 -","4","1","","Santalla, Hugo; Gándara, Zoila; Gómez-Bouzó, Uxía; Gómez, Generosa; Fall, Yagamare","Easy Access to Polyfunctionalized Chiral Decalins","ACS Omega","2020","","","","","10.1021/acsomega.0c03504","","","1.54178","CuKα","","0.0307","0.0299","","","0.0814","0.0823","","","","","","1.054","","","","has coordinates","256872","2020-10-21","18:00:00",""
"4518102","7.3051","0.0014","9.8993","0.0019","19.553","0.004","90","","90","","90","","1414","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","","Centko, Ryan M.; Carlile, Graeme W.; Barne, Isabel; Patrick, Brian O.; Blagojevic, Polina; Thomas, David Y.; Andersen, Raymond J.","Combination of Selective PARP3 and PARP16 Inhibitory Analogues of Latonduine A Corrects F508del-CFTR Trafficking","ACS Omega","2020","","","","","10.1021/acsomega.0c02467","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.064","0.0679","","","","","","1.027","","","","has coordinates","256873","2020-10-21","18:00:00",""
"4518103","11.568","0.0003","14.8438","0.0004","12.2105","0.0003","90","","94.94","0.007","90","","2088.91","0.1","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro","Dual-Functional Enone-Directing Group/Electrophile for Sequential C‒C Bond Formation with α-Diazomalonates: A Short Synthesis of Chiral 3,4-Fused Tricyclic Indoles","ACS Catalysis","2020","","","11971","11979","10.1021/acscatal.0c03940","","","1.54187","CuKα","","0.0535","0.0425","","","0.0958","0.1001","","","","","","1.071","","","","has coordinates","256888","2020-10-21","18:00:00",""
"4518104","13.8479","0.0006","13.8479","0.0006","22.9802","0.001","90","","90","","120","","3816.4","0.3","112.1","0.4","112.1","0.4","","","","","","","","4","P 61","P 61","169","","","","- C25 H33 N3 O5 -","- C25 H33 N3 O5 -","- C150 H198 N18 O30 -","6","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.1417","0.1121","","","0.2865","0.3197","","","","","","1.128","","","","has coordinates","258703","2020-11-04","01:18:01",""
"4518105","9.7164","0.0004","12.392","0.0004","7.6809","0.0003","90","","105.389","0.004","90","","891.67","0.06","293","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NRD_50","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0853","0.0805","","","0.2538","0.262","","","","","","1.0341","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518106","11.5951","0.0002","15.3645","0.0003","18.9752","0.0005","90","","90","","90","","3380.49","0.13","296.54","0.18","296.54","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C1.97 H2.67 N0.25 O0.44 -","- C1.96825 H2.66667 N0.253968 O0.444444 -","- C124 H168 N16 O28 -","63","15.75","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0811","0.0683","","","0.2023","0.2176","","","","","","1.057","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518107","26.555","0.01","6.0271","0.0013","28.976","0.013","90","","115.99","0.05","90","","4169","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N3 O6 -","- C18 H25 N3 O6 -","- C144 H200 N24 O48 -","8","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","0.71073","MoKα","","0.1017","0.0617","","","0.1543","0.1731","","","","","","1.001","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518108","6.4796","0.0002","10.8112","0.0004","17.4816","0.0006","90","","90","","90","","1224.63","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Br N -","- C14 H18 Br N -","- C56 H72 Br4 N4 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","Enantioselective Cyanoborylation of Allenes by N-Heterocyclic Carbene-Copper Catalysts","ACS Catalysis","2020","","","11685","11692","10.1021/acscatal.0c03018","","","0.71073","MoKα","","0.0258","0.0235","","","0.0557","0.0567","","","","","","1.045","","","","has coordinates","256945","2020-10-21","18:00:00",""
"4518109","10.9416","0.0017","5.8946","0.0009","8.9783","0.0013","90","","112.366","0.006","90","","535.51","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 F N O -","- C5 H8 F N O -","- C20 H32 F4 N4 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","0.71073","MoKα","","0.04","0.0383","","","0.0924","0.0934","","","","","","1.074","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518110","6.8234","0.0008","7.0364","0.0007","11.2928","0.0013","90","","93.296","0.005","90","","541.29","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 F N O -","- C5 H8 F N O -","- C20 H32 F4 N4 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0435","0.0362","","","0.084","0.0891","","","","","","1.121","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518111","16.6845","0.0004","6.2599","0.0002","21.2252","0.0005","90","","90","","90","","2216.83","0.1","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H13 F4 N -","- C12 H13 F4 N -","- C96 H104 F32 N8 -","8","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0487","0.0414","","","0.1105","0.1157","","","","","","1.029","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518112","12.8484","0.0003","8.4676","0.0002","11.8938","0.0003","90","","95.519","0.001","90","","1287.99","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F4 N2 O -","- C13 H14 F4 N2 O -","- C52 H56 F16 N8 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0387","0.0334","","","0.0856","0.0892","","","","","","1.042","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518113","11.8985","0.0002","7.4145","0.0002","15.3304","0.0003","90","","101.584","0.001","90","","1324.92","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 F N2 O2 -","- C13 H19 F N2 O2 -","- C52 H76 F4 N8 O8 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0579","0.0486","","","0.1262","0.1338","","","","","","1.059","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518114","4.7931","0.0002","12.9627","0.0005","12.803","0.0005","90","","97.469","0.001","90","","788.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F N2 O -","- C7 H11 F N2 O -","- C28 H44 F4 N8 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","0.71073","MoKα","","0.0417","0.0374","","","0.0899","0.093","","","","","","1.09","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518115","6.6025","0.0002","7.3672","0.0002","7.036","0.0002","90","","90.746","0.002","90","","342.216","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl F N -","- C5 H11 Cl F N -","- C10 H22 Cl2 F2 N2 -","2","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0341","0.033","","","0.086","0.0866","","","","","","1.172","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518116","11.6007","0.0008","5.3802","0.0003","20.9518","0.0016","90","","105.418","0.008","90","","1260.63","0.16","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the Solubility and Bioavailability of Pemafibrate via a New Polymorph Form II.","ACS omega","2020","5","40","26245","26252","10.1021/acsomega.0c04005","","x-ray","0.71073","MoKα","","0.0949","0.0657","","","0.1509","0.1707","","","","","","1.059","","","","has coordinates","258704","2020-11-04","01:18:12",""
"4518117","16.4435","0.0008","25.9075","0.0014","14.3563","0.0007","90","","90","","90","","6115.9","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H26 Mn N5 O6 -","- C30 H26 Mn N5 O6 -","- C240 H208 Mn8 N40 O48 -","8","1","","Gogia, Alisha; Das, Prasenjit; Mandal, Sanjay K.","Tunable Strategies Involving Flexibility and Angularity of Dual Linkers for a 3D Metal-Organic Framework Capable of Multimedia Iodine Capture.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13094","","","0.71073","MoKα","","0.0775","0.0495","","","0.1291","0.1516","","","","","","1.087","","","","has coordinates","258176","2020-10-21","18:00:00",""
"4518118","12.526","0.005","14.871","0.005","16.95","0.006","104.52","0.008","100.667","0.008","99.634","0.008","2926.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H58 Mn2 N10 O12 -","- C63 H58 Mn2 N10 O12 -","- C126 H116 Mn4 N20 O24 -","2","1","","Gogia, Alisha; Das, Prasenjit; Mandal, Sanjay K.","Tunable Strategies Involving Flexibility and Angularity of Dual Linkers for a 3D Metal-Organic Framework Capable of Multimedia Iodine Capture.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13094","","","0.71073","MoKα","","0.0475","0.0351","","","0.0914","0.1027","","","","","","1.066","","","","has coordinates","258177","2020-10-21","18:00:00",""
"4518119","15.4262","0.0003","17.0323","0.0003","19.6403","0.0004","90","","111.781","0.003","90","","4791.96","0.19","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C188 H204 Al4 Cl16 N20 O16 P8 Rh4 -","4","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.0667","0.0494","","","0.1201","0.1278","","","","","","1.107","","","","has coordinates","258696","2020-11-04","01:15:24",""
"4518120","16.4861","0.0002","17.1218","0.0002","18.1159","0.0002","102.604","0.001","96.8135","0.001","92.8749","0.0009","4939.85","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C176 H136 Cl28 Ga8 N16 P8 Rh4 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.109","0.0988","","","0.2187","0.2224","","","","","","1.231","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518121","12.4389","0.0001","13.5826","0.0003","15.0995","0.0003","83.4699","0.0017","80.9723","0.0015","86.2699","0.0013","2500.25","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C94 H90 Cl14 In4 N6 O4 P4 Rh2 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0285","0.0255","","","0.0612","0.0624","","","","","","1.079","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518122","37.4179","0.0001","14.6854","0.0001","22.6886","0.0001","90","","90.5378","0.0003","90","","12466.8","0.11","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C504 H440 Cl48 Ga16 N24 O12 P24 Rh8 -","4","0.5","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0334","0.0324","","","0.0893","0.09","","","","","","1.065","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518123","12.2209","0.0008","14.4974","0.0009","14.8694","0.001","111.642","0.001","103.266","0.001","101.58","0.001","2261.7","0.3","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 Cu2 N30 O46 Si W12 -","- C48 H60 Cu2 N30 O46 Si W12 -","- C48 H60 Cu2 N30 O46 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71073","MoKα","","0.085","0.0688","","","0.1488","0.1569","","","","","","1.118","","","","has coordinates","258184","2020-10-21","18:00:00",""
"4518124","12.2804","0.0011","12.5014","0.0011","14.7202","0.0014","67.243","0.002","66.628","0.002","87.759","0.002","1895.4","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Cu2 N20 O52 Si W12 -","- C34 H60 Cu2 N20 O52 Si W12 -","- C34 H60 Cu2 N20 O52 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71073","MoKα","K-L~3~","0.0745","0.0592","","","0.1265","0.134","","","","","","1.161","","","","has coordinates,has disorder","258184","2020-10-21","18:00:00",""
"4518125","12.358","0.005","13.96","0.005","15.641","0.005","110.467","0.005","104.354","0.005","96.738","0.005","2386.4","1.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H72 Cu2 N30 O46 Si W12 -","- C54 H60 Cu2 N30 O46 Si W12 -","- C54 H60 Cu2 N30 O46 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71069","MoKα","","0.0776","0.0527","","","0.1262","0.1408","","","","","","1.021","","","","has coordinates,has disorder","258184","2020-10-21","18:00:00",""
"4518126","18.4812","0.0013","20.0663","0.0014","16.503","0.0012","90","","97.1637","0.001","90","","6072.4","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O16 S2 -","- C55 H64 Cu2 F6 N8 O16 S2 -","- C220 H256 Cu8 F24 N32 O64 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1245","0.0742","","","0.1855","0.2203","","","","","","1.026","","","","has coordinates,has disorder","258697","2020-11-04","01:16:12",""
"4518127","10.2103","0.0006","17.798","0.0011","17.8614","0.0011","66.3506","0.0012","86.0444","0.0013","80.6582","0.0013","2933.8","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H67 Cu2 F6 N8 O14 S2 -","- C54 H59 Cu2 F6 N8 O14 S2 -","- C108 H118 Cu4 F12 N16 O28 S4 -","2","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.0808","0.0653","","","0.2011","0.2169","","","","","","1.056","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518128","18.6107","0.0018","20.1138","0.0019","16.3528","0.0016","90","","96.202","0.001","90","","6085.5","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O14 S2 -","- C55 H66 Cu2 F6 N8 O14 S2 -","- C220 H264 Cu8 F24 N32 O56 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1155","0.0792","","","0.227","0.2597","","","","","","1.057","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518129","9.9434","0.0008","20.0627","0.0015","11.3209","0.001","90","","107.969","0.003","90","","2148.3","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B2 Cl2 F4 N4 -","- C38 H32 B2 Cl2 F4 N4 -","- C76 H64 B4 Cl4 F8 N8 -","2","0.5","","Wu, Qinghua; Zhu, Yucheng; Fang, Xingbao; Hao, Xiangyu; Jiao, Lijuan; Hao, Erhong; Zhang, Weian","Conjugated BODIPY Oligomers with Controllable Near-Infrared Absorptions as Promising Phototheranostic Agents through Excited-State Intramolecular Rotations.","ACS applied materials & interfaces","2020","12","42","47208","47219","10.1021/acsami.0c11701","","","0.71073","MoKα","","0.08","0.0601","","","0.1663","0.185","","","","","","1.069","","","","has coordinates","258695","2020-11-04","01:14:47",""
"4518130","7.1106","0.0003","8.8828","0.0003","9.8984","0.0003","77.175","0.001","89.3","0.001","74.07","0.001","585.4","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C22 H24 F6 N2 O4 S2 -","2","1","","Ge, Hangming; Wu, Botao; Liu, Yafei; Wang, Haoyang; Shen, Qilong","Synergistic Lewis Acid and Photoredox-Catalyzed Trifluoromethylative Difunctionalization of Alkenes with Selenium Ylide-Based Trifluoromethylating Reagent","ACS Catalysis","2020","","","12414","12424","10.1021/acscatal.0c03776","","","0.71073","MoKα","","0.0379","0.0356","","","0.0931","0.0955","","","","","","1.04","","","","has coordinates","258268","2020-10-21","18:00:00",""
"4518131","9.9179","0.0003","11.9722","0.0003","13.8685","0.0004","93.109","0.001","92.712","0.001","91.78","0.001","1641.53","0.08","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H32 N2 Pt S2 -","- C42 H32 N2 Pt S2 -","- C84 H64 N4 Pt2 S4 -","2","2","","Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M.","Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties.","ACS omega","2020","5","41","26855","26863","10.1021/acsomega.0c03993","","","0.71073","MoKα","","0.0366","0.0322","","","0.0733","0.076","","","","","","1.035","","","","has coordinates","258698","2020-11-04","01:16:22",""
"4518132","5.1496","0.0009","13.045","0.002","7.1182","0.0012","90","","110.335","0.004","90","","448.37","0.13","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 Li5 O8 S2 V -","- F4 Li5 O8 S2 V -","- F8 Li10 O16 S4 V2 -","2","0.5","","Vincent, Rebecca C.; Vishnoi, Pratap; Preefer, Molleigh B.; Shen, Jimmy-Xuan; Seeler, Fabian; Persson, Kristin A.; Seshadri, Ram","Li<sub>5</sub>VF<sub>4</sub>(SO<sub>4</sub>)<sub>2</sub>: A Prototype High-Voltage Li-Ion Cathode.","ACS applied materials & interfaces","2020","12","43","48662","48668","10.1021/acsami.0c14781","","","0.71073","MoKα","","0.0716","0.0508","","","0.1256","0.1384","","","","","","1.061","","","","has coordinates","258694","2020-11-04","01:14:37",""
"4518133","12.236","0.0001","21.4326","0.0001","20.1723","0.0001","90","","103.841","0.001","90","","5136.56","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H37 Al Cl10 N2 O2 -","- C57 H37 Al Cl10 N2 O2 -","- C228 H148 Al4 Cl40 N8 O8 -","4","1","","Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W.","Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone","ACS Catalysis","2020","","","12537","12543","10.1021/acscatal.0c03492","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0953","0.0962","","","","","","1.029","","","","has coordinates,has disorder","258342","2020-10-21","18:00:00",""
"4518134","14.16596","0.00004","24.26807","0.00008","21.69468","0.00007","90","","95.347","0.0003","90","","7425.75","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C96 H86 Al B N2 O7 -","- C96 H86 Al B N2 O7 -","- C384 H344 Al4 B4 N8 O28 -","4","2","","Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W.","Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone","ACS Catalysis","2020","","","12537","12543","10.1021/acscatal.0c03492","","x-ray","1.54184","CuKα","","0.0404","0.0393","","","0.1056","0.1066","","","","","","1.03","","","","has coordinates","258343","2020-10-21","18:00:00",""
"4518135","20.829","0.0005","6.8342","0.0002","10.208","0.0003","90","","112.556","0.002","90","","1341.95","0.07","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C72 H56 N4 O4 -","2","0.5","","Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid","Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound.","ACS omega","2020","5","42","27227","27234","10.1021/acsomega.0c03376","","","1.54178","","","0.0263","0.0259","","","0.0701","0.0706","","","","","","1.047","","","","has coordinates","258701","2020-11-04","01:17:07",""
"4518136","12.8882","0.0012","16.8832","0.0015","7.8668","0.0007","90","","106.261","0.003","90","","1643.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 O2 S -","- C18 H15 N5 O2 S -","- C72 H60 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0579","0.0425","","","0.1032","0.112","","","","","","1.029","","","","has coordinates","258702","2020-11-04","01:17:18",""
"4518137","13.888","0.002","4.7349","0.0008","23.274","0.004","90","","91.509","0.006","90","","1529.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N5 O2 S -","- C16 H13 N5 O2 S -","- C64 H52 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0754","0.0578","","","0.1422","0.1604","","","","","","1.058","","","","has coordinates","258702","2020-11-04","01:17:26",""
"4518138","10.8529","0.0007","10.9058","0.0006","19.7841","0.0011","91.038","0.002","97.961","0.002","104.293","0.003","2243.9","0.2","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H13 Cl2 N4 O8 S2 Zn2 -","- C30 H13 Cl2 N4 O8 S2 Zn2 -","- C60 H26 Cl4 N8 O16 S4 Zn4 -","2","1","","Liu, Ting; Cui, Hui; Zhang, Xin; Zhang, Zhi-Yin; Lin, Rui-Biao; Liang, Bin; Zhang, Jian; Li, Dan; Chen, Banglin","Doubly Interpenetrated Metal-Organic Framework of pcu Topology for Selective Separation of Propylene from Propane.","ACS applied materials & interfaces","2020","12","43","48712","48717","10.1021/acsami.0c15517","","","0.7288","MoKa","","0.096","0.0632","","","0.1855","0.2186","","","","","","0.738","","","","has coordinates,has disorder","258693","2020-11-04","01:14:29",""
"4518139","11.8747","0.0017","11.8747","0.0017","43.884","0.009","90","","90","","120","","5359","1.5","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C42.67 H28.17 Cl4 N2.83 O4.83 -","- C42.652 H28.188 Cl4 N2.884 O4.884 -","- C255.912 H169.128 Cl24 N17.304 O29.304 -","6","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.66002","synchrotron","","0.0844","0.0688","","","0.1682","0.1817","","","","","","0.994","","","","has coordinates","258383","2020-10-21","18:00:00",""
"4518140","11.835","0.0017","11.835","0.0017","43.729","0.009","90","","90","","120","","5304.4","1.5","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C42.5 H27.83 Cl4 N2.83 O4.83 -","- C42.5365 H27.9185 Cl4 N2.8455 O4.8455 -","- C255.219 H167.511 Cl24 N17.073 O29.073 -","6","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.7","synchrotron","","0.0956","0.0861","","","0.2344","0.2443","","","","","","1.044","","","","has coordinates","258384","2020-10-21","18:00:00",""
"4518141","11.486","0.002","30.043","0.006","11.821","0.002","90","","118.92","0.03","90","","3570.4","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H23 Cl6.75 N2 O4 -","- C40.9475 H22.9475 Cl6.8425 N2 O4 -","- C163.79 H91.79 Cl27.37 N8 O16 -","4","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.66002","synchrotron","","0.0452","0.0433","","","0.1136","0.1152","","","","","","1.065","","","","has coordinates","258385","2020-10-21","18:00:00",""
"4518142","11.706","0.006","30.339","0.015","12.025","0.006","90","","118.785","0.014","90","","3743","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H23 Cl6.75 N2 O4 -","- C40.886 H22.886 Cl6.658 N2 O4 -","- C163.544 H91.544 Cl26.632 N8 O16 -","4","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.71073","MoKα","","0.118","0.0685","","","0.1735","0.2029","","","","","","1.014","","","","has coordinates","258386","2020-10-21","18:00:00",""
"4518143","12.058","0.003","9.432","0.002","14.999","0.004","90","","104.566","0.007","90","","1651","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.1217","0.0644","","","0.1388","0.1707","","","","","","1.047","","","","has coordinates","258426","2020-10-21","18:00:00",""
"4518144","11.248","0.0004","13.4191","0.0005","9.9224","0.0003","90","","96.859","0.001","90","","1486.95","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.0534","0.0414","","","0.1054","0.1159","","","","","","1.026","","","","has coordinates","258427","2020-10-21","18:00:00",""
"4518145","8.425","0.002","13.085","0.003","16.325","0.004","90","","104.597","0.007","90","","1741.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C80 H76 Cl4 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.109","0.0621","","","0.1531","0.1859","","","","","","1.036","","","","has coordinates","258428","2020-10-21","18:00:00",""
"4518146","8.567","0.0007","14.5739","0.001","15.62","0.0011","90","","97.596","0.002","90","","1933.1","0.2","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 Co N4 -","- C20 H16 Br2 Co N4 -","- C80 H64 Br8 Co4 N16 -","4","1","","Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne","Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight","ACS Catalysis","2020","","","12819","12827","10.1021/acscatal.0c03903","","","0.71069","MoKα","","0.064","0.0369","","","0.0693","0.0776","","","","","","1.002","","","","has coordinates","258494","2020-10-21","18:00:00",""
"4518147","13.2935","0.0005","13.2935","0.0005","40.9","0.0016","90","","90","","120","","6259.4","0.4","150","","150.15","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H96 Br9 Co4 Mn2 N24 -","- C120 H96 Br9 Co4 Mn2 N24 -","- C240 H192 Br18 Co8 Mn4 N48 -","2","0.166667","","Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne","Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight","ACS Catalysis","2020","","","12819","12827","10.1021/acscatal.0c03903","","","0.71073","MoKα","","0.0443","0.0343","","","0.0796","0.0829","","","","","","1.022","","","","has coordinates","258494","2020-10-21","18:00:00",""
"4518148","8.9164","0.0003","49.9492","0.0016","25.1934","0.0009","90","","90","","90","","11220.3","0.7","220","0.1","220","0.1","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C42 H28 Br2 F12 N6 Os P2 -","- C42 H28 Br2 F12 N6 Os P2 -","- C336 H224 Br16 F96 N48 Os8 P16 -","8","0.25","","Ravetz, Benjamin D.; Tay, Nicholas E. S.; Joe, Candice L.; Sezen-Edmonds, Melda; Schmidt, Michael A.; Tan, Yichen; Janey, Jacob M.; Eastgate, Martin D.; Rovis, Tomislav","Development of a Platform for Near-Infrared Photoredox Catalysis","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00948","","x-ray","0.71073","MoKα","","0.0664","0.0552","","","0.1087","0.1119","","","","","","1.296","","","","has coordinates,has disorder","258495","2020-10-21","18:00:00",""
"4518149","10.9772","0.0006","46.096","0.003","10.9795","0.0006","90","","93.001","0.001","90","","5548.1","0.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C192 H216 Cl16 F48 N4 O8 P8 Rh4 S4 Sb8 -","2","1","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0464","0.0426","","","0.099","0.1018","","","","","","1.033","","","","has coordinates","258700","2020-11-04","01:16:57",""
"4518150","10.976","0.0018","46","0.008","10.984","0.0018","90","","93.038","0.003","90","","5538","1.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C95 H110 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C95 H106 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C190 H212 Cl12 F48 Ir4 N4 O12 P8 S4 Sb8 -","2","1","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0606","0.0488","","","0.1042","0.1106","","","","","","0.987","","","","has coordinates","258700","2020-11-04","01:16:58",""
"4518151","12.3643","0.0015","11.0325","0.0016","7.2946","0.001","90","","90","","90","","995.1","0.2","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15444","","","0.71073","MoKα","","0.054","0.0438","","","0.0886","0.0916","","","","","","1.098","","","","has coordinates","258538","2020-10-22","21:15:20",""
"4518152","12.5591","0.0014","11.0137","0.0009","7.2753","0.0008","90","","90","","90","","1006.34","0.18","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15444","","","0.71073","MoKα","","0.0358","0.0297","","","0.0643","0.0856","","","","","","1.196","","","","has coordinates","258539","2020-10-22","21:15:44",""
"4518153","10.569","0.005","11.536","0.006","18.59","0.009","86.397","0.012","74.393","0.011","87.892","0.012","2178.2","1.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H94 F12 Fe N6 O16 P2 -","- C86 H94 F12 Fe N6 O16 P2 -","- C86 H94 F12 Fe N6 O16 P2 -","1","0.5","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1669","0.1031","","","0.2599","0.2901","","","","","","1.062","","","","has coordinates","258540","2020-10-22","21:16:05",""
"4518154","10.244","0.002","11.33","0.002","21.749","0.005","78.997","0.005","78.512","0.005","87.801","0.005","2428.2","0.9","200","2","200","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H56.89 F6 Fe N3 O9 P -","- C49 H56.89 F6 Fe N3 O9 P -","- C98 H113.78 F12 Fe2 N6 O18 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.2041","0.153","","","0.3159","0.3392","","","","","","1.162","","","","has coordinates,has disorder","258541","2020-10-22","21:16:47",""
"4518155","10.1238","0.001","11.4618","0.0012","21.607","0.002","78.972","0.003","78.823","0.003","87.279","0.003","2414.1","0.4","200","2","199.99","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H59 F6 Fe N3 O8.5 P -","- C49 H59 F6 Fe N3 O8.5 P -","- C98 H118 F12 Fe2 N6 O17 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1437","0.0733","","","0.1094","0.1305","","","","","","1.059","","","","has coordinates,has disorder","258542","2020-10-22","21:17:22",""
"4518156","12.199","0.002","10.166","0.0016","50.127","0.008","90","","96.831","0.004","90","","6172.4","1.7","200","2","199.91","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 F6 Fe N3 O8 P -","- C50 H60 F6 Fe N3 O8 P -","- C200 H240 F24 Fe4 N12 O32 P4 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1621","0.1111","","","0.2582","0.2854","","","","","","1.09","","","","has coordinates,has disorder","258543","2020-10-22","21:18:00",""
"4518157","10.1921","0.0015","11.4742","0.0014","21.692","0.003","86.353","0.011","85.801","0.011","86.926","0.009","2521.8","0.6","200","2","199.94","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H54 F6 Fe N O8 P -","- C48 H52.24 F6 Fe N3 O8 P -","- C96 H104.48 F12 Fe2 N6 O16 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.2873","0.1214","","","0.2682","0.3537","","","","","","0.964","","","","has coordinates,has disorder","258544","2020-10-22","21:18:33",""
"4518158","12.1045","0.0003","11.838","0.0004","39.6515","0.0016","90","","92.478","0.003","90","","5676.5","0.3","90","2","90","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 Br4 F6 Fe N3 O9 P -","- C52 H53 Br4 F6 Fe N3 O9 P -","- C208 H212 Br16 F24 Fe4 N12 O36 P4 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","x-ray","1.54184","CuKα","","0.127","0.0926","","","0.2691","0.2965","","","","","","1.06","","","","has coordinates","258545","2020-10-22","21:19:02",""
"4518159","10.3843","0.0007","11.6552","0.0008","20.2841","0.0014","98.403","0.002","103.009","0.002","93.923","0.002","2353.2","0.3","200","2","199.99","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H106 F12 Fe N6 O18 P2 -","- C88 H106 F12 Fe N6 O18 P2 -","- C88 H106 F12 Fe N6 O18 P2 -","1","0.5","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1555","0.07","","","0.1575","0.2009","","","","","","1.001","","","","has coordinates","258546","2020-10-22","21:19:42",""
"4518160","21.034","0.006","10.206","0.003","23.539","0.006","90","","103.477","0.01","90","","4914","2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H58 As F6 Fe N3 O8 -","- C49 H58 As F6 Fe N3 O8 -","- C196 H232 As4 F24 Fe4 N12 O32 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1215","0.0623","","","0.15","0.1867","","","","","","1.083","","","","has coordinates,has disorder","258547","2020-10-22","21:20:08",""
"4518161","16.8405","0.0002","16.9294","0.0002","41.4502","0.0004","90","","94.715","0.001","90","","11777.4","0.2","90","","90","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C106 H128 Br8 F12 Fe2 N6 O18 P2 -","- C106 H128 Br8 F12 Fe2 N6 O18 P2 -","- C424 H512 Br32 F48 Fe8 N24 O72 P8 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","x-ray","1.54184","CuKα","","0.0608","0.0591","","","0.1644","0.1661","","","","","","1.038","","","","has coordinates,has disorder","258548","2020-10-22","21:20:35",""
"4518162","10.1929","0.0004","11.6834","0.0005","21.6043","0.0008","87.155","0.003","85.445","0.003","87.005","0.003","2558.5","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 F6 Fe N3 O10 P -","- C52 H66 F6 Fe N3 O10 P -","- C104 H132 F12 Fe2 N6 O20 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1159","0.0713","","","0.1773","0.2063","","","","","","1.034","","","","has coordinates","258549","2020-10-22","21:21:06",""
"4518163","9.618","","14.2124","0.0001","14.4586","0.0001","90","","90","","90","","1976.42","0.019","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B Fe N -","- C22 H30 B Fe N -","- C88 H120 B4 Fe4 N4 -","4","1","","Dong, Wu-Wei; Li, Yi-Nan; Chang, Xin; Shen, Chong; Wang, Chun-Jiang","Chiral Ugi-Type Amines: Practical Synthesis, Ligand Development, and Asymmetric Catalysis","ACS Catalysis","2020","","","12954","12959","10.1021/acscatal.0c04077","","x-ray","1.54178","CuKα","","0.0173","0.0171","","","0.0456","0.0457","","","","","","1.034","","","","has coordinates","258550","2020-10-22","21:30:36",""
"4518164","13.9717","0.0003","22.3087","0.0006","15.064","0.0003","90","","90.591","0.002","90","","4695.06","0.19","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C216 H216 N8 O40 -","8","2","","Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko","Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals","ACS Catalysis","2020","","","12770","12782","10.1021/acscatal.0c03986","","","0.71073","MoKα","","0.0938","0.0541","","","0.1053","0.1196","","","","","","1.005","","","","has coordinates","258551","2020-10-22","21:31:04",""
"4518165","13.7004","0.0002","20.3764","0.0003","29.3278","0.0005","90","","90","","90","","8187.3","0.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C96 H82 B2 F8 O6 P4 Pd2 -","- C96 H82 B2 F8 O6 P4 Pd2 -","- C384 H328 B8 F32 O24 P16 Pd8 -","4","1","","Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko","Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals","ACS Catalysis","2020","","","12770","12782","10.1021/acscatal.0c03986","","","0.71073","MoKα","","0.0762","0.0492","","","0.091","0.0994","","","","","","1.038","","","","has coordinates,has disorder","258552","2020-10-22","21:31:37",""
"4518166","5.6564","0.0003","10.7717","0.0006","11.2333","0.0006","67.751","0.002","80.44","0.002","83.967","0.002","624.01","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N3 O6 S -","- C9 H15 N3 O6 S -","- C18 H30 N6 O12 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0626","0.0354","","","0.0985","0.1116","","","","1.2","1.2","1.12","","","","has coordinates","258699","2020-11-04","01:16:40",""
"4518167","6.2307","0.0003","9.0432","0.0004","11.7429","0.0005","97.642","0.002","93.975","0.002","103.694","0.002","633.64","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 N Na O7 P S -","- C9 H9 N Na O7 P S -","- C18 H18 N2 Na2 O14 P2 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0462","0.0427","","","0.1057","0.1077","","","","1.2","1.2","1.19","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518168","6.2294","0.0008","9.8153","0.0016","17.133","0.003","90","","92.88","0.005","90","","1046.2","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O11 S2 -","- C18 H16 N2 O11 S2 -","- C36 H32 N4 O22 S4 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71069","MoKα","","0.0425","0.0388","","","0.0749","0.0766","","","","1.08","1.08","1.09","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518169","14.784","0.0009","6.8291","0.0004","16.075","0.0008","90","","106.46","0.002","90","","1556.44","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O6 S -","- C14 H16 N2 O6 S -","- C56 H64 N8 O24 S4 -","4","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0586","0.0415","","","0.1213","0.1316","","","","1.2","1.2","1.14","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518170","27.412","0.002","8.353","0.0006","20.7456","0.0014","90","","98.4684","0.0011","90","","4698.4","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mequitazine-succinate_hydrate_incorrect","","","- C24 H32 N2 O6 S -","- C24 H30.8 N2 O5.4 S -","- C192 H246.4 N16 O43.2 S8 -","8","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","New Salt and Cocrystal of Mequitazine: Impact of Coformer Flexibility and Hydrogen Bond Donors on Polymorphism","Crystal Growth & Design","2020","","","","","10.1021/acs.cgd.0c00896","powder diffraction","","1.54186","CuKα","","","","","","","","","","0.5232","","","","","","","has coordinates","258558","2020-10-22","22:22:09",""
"4518171","8.146","0.0004","9.3045","0.0006","16.1985","0.0012","80.954","0.002","77.629","0.003","64.4671","0.0019","1079.19","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","mequitazine-fumarate_anhydrate_formII_powder","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C48 H52 N4 O8 S2 -","2","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","New Salt and Cocrystal of Mequitazine: Impact of Coformer Flexibility and Hydrogen Bond Donors on Polymorphism","Crystal Growth & Design","2020","","","","","10.1021/acs.cgd.0c00896","powder diffraction","","1.54186","CuKα","","","","","","","","","","1.1949","","","","","","","has coordinates","258559","2020-10-22","22:22:35",""
"4518172","11.637","0.009","12.282","0.004","17.835","0.003","76.419","0.003","87.152","0.004","76.88","0.005","2413","2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Charles54b (Nansi)","","","- C26 H22 F6 N O2 P -","- C26 H22 F6 N O2 P -","- C104 H88 F24 N4 O8 P4 -","4","2","","Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.","Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14132","","","0.71073","MoKα","","0.2117","0.0857","","","0.1629","0.2108","","","","","","0.926","","","","has coordinates,has disorder","258580","2020-10-23","21:14:29",""
"4518173","8.9254","0.0014","17.366","0.003","15.62","0.002","90","","103.842","0.004","90","","2350.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Charles56b (Nansi)","","","- C24 H16 Br2 F6 N P -","- C24 H16 Br2 F6 N P -","- C96 H64 Br8 F24 N4 P4 -","4","1","","Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.","Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14132","","","0.71073","MoKα","","0.1136","0.0553","","","0.12","0.1396","","","","","","1.025","","","","has coordinates","258581","2020-10-23","21:14:55",""
"4518174","12.351","0.0004","17.281","0.0011","19.134","0.0013","90","","90","","90","","4083.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Charles32 (Nansi)","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C192 H144 Br8 N8 O24 -","8","1","","Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.","Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14132","","","0.71073","MoKα","","0.1118","0.054","","","0.1175","0.1366","","","","","","1.051","","","","has coordinates,has disorder","258582","2020-10-23","21:15:19",""
"4518175","7.9554","0.0009","13.3409","0.0014","13.583","0.0014","108.591","0.004","95.505","0.005","94.138","0.004","1352","0.3","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H42 Cl Ir N O6 P -","- C24 H42 Cl Ir N O6 P -","- C48 H84 Cl2 Ir2 N2 O12 P2 -","2","1","","Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.","Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability","ACS Catalysis","2020","","","13019","13030","10.1021/acscatal.0c03784","","","1.5418","CuKα","","0.0205","0.0197","","0.0495","0.0491","0.0495","","","","","","1.0692","","","","has coordinates,has disorder","258583","2020-10-23","21:24:41",""
"4518176","12.8158","0.0002","12.8715","0.0002","17.2525","0.0003","80.155","0.001","89.504","0.001","66.413","0.001","2564.14","0.08","150","","150","","","","","","","","","9","P 1","P 1","1","","","","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","1","1","","Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.","Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability","ACS Catalysis","2020","","","13019","13030","10.1021/acscatal.0c03784","","","1.5418","CuKα","","0.0869","0.0865","","0.2306","0.2298","0.2306","","","","","","1.1545","","","","has coordinates,has disorder","258584","2020-10-23","21:25:04",""
"4518177","9.6402","0.0005","21.1318","0.0012","14.7796","0.0008","90","","96.737","0.005","90","","2990","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N6 -","- C40 H28 N6 -","- C160 H112 N24 -","4","1","","Lee, Jiun-Haw; Chen, Chia-Hsun; Lin, Bo-Yen; Lan, Yi-Hsin; Huang, Yi-Mei; Chen, Nai-Jing; Huang, Jau-Jiun; Volyniuk, Dmytro; Keruckiene, Rasa; Grazulevicius, Juozas Vidas; Wu, Yuh-Renn; Leung, Man-Kit; Chiu, Tien-Lung","Bistriazoles with a Biphenyl Core Derivative as an Electron-Favorable Bipolar Host of Efficient Blue Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13705","","","1.54178","CuKα","","0.0997","0.055","","","0.1159","0.1407","","","","","","0.984","","","","has coordinates","258594","2020-10-24","21:14:20",""
"4518178","8.7262","0.0002","8.7262","0.0002","20.1821","0.0005","90","","90","","90","","1536.8","0.06","150","","150","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C6 H5.25 Ce N7 O5.62 -","- C6 H5.25 Ce N7 O5.625 -","- C24 H21 Ce4 N28 O22.5 -","4","0.5","","Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam","A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15395","","x-ray","1.34139","GaKα","","0.0238","0.0238","","","0.0625","0.0625","","","","","","1.247","","","","has coordinates,has disorder","258599","2020-10-26","22:14:22",""
"4518179","8.7522","0.0002","8.7522","0.0002","20.2393","0.0005","90","","90","","90","","1550.35","0.06","150","","150","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C6 H4.75 La N7 O5.38 -","- C6 H4.7496 La N7 O5.3748 -","- C24 H18.9984 La4 N28 O21.4992 -","4","0.5","","Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam","A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15395","","x-ray","1.34139","GaKα","","0.0294","0.0289","","","0.0736","0.0739","","","","","","1.205","","","","has coordinates,has disorder","258600","2020-10-26","22:15:03",""
"4518180","8.6806","0.0003","8.6806","0.0003","20.1518","0.0006","90","","90","","90","","1518.49","0.09","150","","150","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C6 H4.6 N7 O5.3 Pr -","- C6 H4.6 N7 O5.3 Pr -","- C24 H18.4 N28 O21.2 Pr4 -","4","0.5","","Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam","A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15395","","x-ray","1.34139","GaKα","","0.0171","0.0171","","","0.0495","0.0495","","","","","","1.215","","","","has coordinates,has disorder","258601","2020-10-26","22:15:30",""
"4518181","5.24","0.0001","6.2805","0.0001","23.9605","0.0006","90","","90","","90","","788.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl O -","- C7 H13 Cl O -","- C28 H52 Cl4 O4 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0507","0.0393","","","0.0698","0.0744","","","","","","1.064","","","","has coordinates","258602","2020-10-26","22:25:49",""
"4518182","6.2973","0.0002","5.2861","0.0002","12.6948","0.0005","90","","93.567","0.003","90","","421.77","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 Cl O -","- C8 H15 Cl O -","- C16 H30 Cl2 O2 -","2","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0432","0.035","","","0.0675","0.0716","","","","","","1.044","","","","has coordinates","258602","2020-10-26","22:25:58",""
"4518183","7.2887","0.0001","9.0165","0.0002","15.2516","0.0003","90","","90","","90","","1002.31","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cl O2 -","- C9 H15 Cl O2 -","- C36 H60 Cl4 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0314","0.0295","","","0.0755","0.0767","","","","","","1.053","","","","has coordinates","258602","2020-10-26","22:26:00",""
"4518184","6.1266","0.0001","8.4858","0.0002","18.3913","0.0004","90","","90","","90","","956.15","0.03","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0516","0.045","","","0.1119","0.115","","","","","","1.13","","","","has coordinates","258602","2020-10-26","22:26:01",""
"4518185","13.3478","0.0009","14.062","0.0009","17.8249","0.0012","90.177","0.002","93.026","0.002","114.592","0.002","3036.8","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 Cl2 Cu2 F8 O2 P4 -","- C68 H56 Cl2 Cu2 F8 O2 P4 -","- C136 H112 Cl4 Cu4 F16 O4 P8 -","2","1","","Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.","Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds","ACS Catalysis","2020","","","13075","13083","10.1021/acscatal.0c03622","","","0.71073","MoKα","","0.0951","0.056","","","0.109","0.1236","","","","","","1.018","","","","has coordinates","258612","2020-10-27","22:23:25",""
"4518186","16.4338","0.0008","16.5229","0.0008","17.2231","0.0008","69.906","0.001","77.081","0.001","64.824","0.001","3958.2","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cl2 Cu2 F24 O3 P4 -","- C80 H64 Cl2 Cu2 F24 O3 P4 -","- C160 H128 Cl4 Cu4 F48 O6 P8 -","2","1","","Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.","Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds","ACS Catalysis","2020","","","13075","13083","10.1021/acscatal.0c03622","","x-ray","0.71073","MoKα","","0.0751","0.0497","","","0.1228","0.1425","","","","","","1.028","","","","has coordinates,has disorder","258613","2020-10-27","22:23:53",""
"4518187","10.8827","0.0004","25.7626","0.0009","13.4803","0.0005","90","","98.617","0.001","90","","3736.8","0.2","180","2","179.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 N4 -","- C46 H28 N4 -","- C184 H112 N16 -","4","1","","Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan","Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions","ACS Omega","2020","","","","","10.1021/acsomega.0c03565","","","0.71073","MoKα","","0.0926","0.0496","","","0.1171","0.1327","","","","","","1.038","","","","has coordinates","258623","2020-10-29","22:34:21",""
"4518188","11.3781","0.0004","11.4044","0.0004","28.9791","0.0011","90","","96.823","0.001","90","","3733.7","0.2","180","2","179.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N4 S2 -","- C46 H28 N4 S2 -","- C184 H112 N16 S8 -","4","1","","Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan","Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions","ACS Omega","2020","","","","","10.1021/acsomega.0c03565","","","0.71073","MoKα","","0.0955","0.0504","","","0.1233","0.1403","","","","","","1.043","","","","has coordinates","258624","2020-10-29","22:34:56",""
"4518189","6.5484","0.0006","7.2693","0.0006","21.261","0.002","85.041","0.003","84.946","0.003","89.943","0.003","1004.34","0.16","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H24 F16 -","- C56 H24 F16 -","- C56 H24 F16 -","1","1","","Huang, Yinjuan; Gong, Qiuyu; Ge, Jing; Tang, Pengpeng; Yu, Fei; Xiao, Lian; Wang, Zongrui; Sun, Handong; Yu, Jing; Li, Dong-Sheng; Xiong, Qihua; Zhang, Qichun","Green Grinding-Coassembly Engineering toward Intrinsically Luminescent Tetracene in Cocrystals.","ACS nano","2020","","","","","10.1021/acsnano.0c07416","","","0.71073","MoKα","","0.152","0.0704","","","0.1345","0.1754","","","","","","1.025","","","","has coordinates","258626","2020-10-29","22:50:56",""
"4518190","24.13","0.002","14.8945","0.0012","19.8961","0.0016","90","","127.18","0.009","90","","5697.3","1.1","339.98","0.1","339.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Co2 O18.5 -","- C23 H23 Co2 O18.5 -","- C184 H184 Co16 O148 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.1092","0.091","","","0.2644","0.2789","","","","","","1.061","","","","has coordinates","258645","2020-10-30","22:10:59",""
"4518191","24.1793","0.0005","14.7682","0.0003","19.8874","0.0004","90","","127.327","0.002","90","","5647","0.2","106","5","106","5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H9 Co2 D17 O20 -","- C23 H9 Co2 D17 O20 -","- C184 H72 Co16 D136 O160 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.0462","0.0434","","","0.1112","0.1127","","","","","","1.124","","","","has coordinates","258646","2020-10-30","22:11:44",""
"4518192","24.2658","0.0005","14.8227","0.0002","19.8121","0.0003","90","","127.678","0.002","90","","5640","0.2","293.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Ni2 O20 -","- C23 H26 Ni2 O20 -","- C184 H208 Ni16 O160 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.0424","0.0361","","","0.0909","0.0936","","","","","","1.117","","","","has coordinates","258647","2020-10-30","22:12:15",""
"4518193","24.264","0.0007","14.8592","0.0003","19.8821","0.0006","90","","127.529","0.003","90","","5684.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Co2 O20 -","- C23 H26 Co2 O20 -","- C184 H208 Co16 O160 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.0357","0.0335","","","0.0883","0.0895","","","","","","1.123","","","","has coordinates","258648","2020-10-30","22:12:42",""
"4518194","9.3985","0.0011","12.781","0.0015","25.714","0.003","90","","90","","90","","3088.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br2 N2 Pt S -","- C14 H14 Br2 N2 Pt S -","- C112 H112 Br16 N16 Pt8 S8 -","8","1","","Bavi, Marzieh; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Niknam, Fatemeh; Hamidizadeh, Peyman; Hoseini, S. Jafar; Raoof, Fatemeh; Abu-Omar, Mahdi M.","Ligand-Mediated C‒Br Oxidative Addition to Cycloplatinated(II) Complexes and Benzyl-Me C‒C Bond Reductive Elimination from a Cycloplatinated(IV) Complex","ACS Omega","2020","","","","","10.1021/acsomega.0c03573","","","0.71073","MoKα","","0.074","0.0421","","","0.0777","0.0876","","","","","","0.987","","","","has coordinates","258649","2020-10-30","22:37:31",""
"4518195","11.3768","0.0002","13.3425","0.0002","24.5874","0.0005","90","","90","","90","","3732.24","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C160 H152 Br8 N16 O24 -","8","2","","Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro","Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction","ACS Catalysis","2020","10","22","13296","13304","10.1021/acscatal.0c04057","","","1.54187","CuKα","","0.0673","0.0462","","","0.0758","0.0817","","","","","","1.023","","","","has coordinates","259501","2020-12-04","02:11:54",""
"4518196","16.3426","0.0004","32.7061","0.0008","10.0263","0.0002","90","","90","","90","","5359.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","2","","Aratikatla, Eswar K.; Kalamuddin, Md; Malhotra, Pawan; Mohmmed, Asif; Bhattacharya, Asish K.","Enantioselective Synthesis of γ-Phenyl-γ-amino Vinyl Phosphonates and Sulfones and Their Application to the Synthesis of Novel Highly Potent Antimalarials.","ACS omega","2020","5","45","29025","29037","10.1021/acsomega.0c03470","","","1.54178","CuKα","","0.032","0.0308","","","0.0811","0.0825","","","","","","1.034","","","","has coordinates","259512","2020-12-04","02:15:07",""
"4518197","19.3699","0.0003","19.3699","0.0003","17.2897","0.0002","90","","90","","120","","5617.89","0.14","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C18 H10 N5 O9 Zn2 -","- C18 H9 N5 O9 Zn2 -","- C108 H54 N30 O54 Zn12 -","6","0.25","","Yin, Jia-Cheng; Chang, Ze; Li, Na; He, Jie; Fu, Zi-Xuan; Bu, Xian-He","Efficient Regulation of Energy Transfer in a Multicomponent Dye-Loaded MOF for White-Light Emission Tuning","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c12867","","x-ray","1.54184","CuKα","","0.0834","0.0742","","","0.2142","0.2274","","","","","","1.094","","","","has coordinates,has disorder","258686","2020-11-03","22:14:04",""
"4518198","14.0181","0.0011","8.46","0.0007","16.4369","0.0013","90","","102.753","0.001","90","","1901.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I N2 Rh -","- C20 H24 I N2 Rh -","- C80 H96 I4 N8 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0397","0.0251","","","0.0483","0.0522","","","","","","1.018","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518199","17.652","0.0018","12.0217","0.0012","14.0368","0.0014","90","","113.194","0.001","90","","2738","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl3 I N3 Rh -","- C26 H28 Cl3 I N3 Rh -","- C104 H112 Cl12 I4 N12 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0887","0.0554","","","0.101","0.111","","","","","","1.065","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518200","12.9396","0.0011","12.9396","0.0011","35.996","0.004","90","","90","","90","","6026.9","1","125","2","125","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Ti(NtBu)ind2py2","","","- C30 H31 N5 Ti -","- C30 H31 N5 Ti -","- C240 H248 N40 Ti8 -","8","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0266","0.0237","","","0.0599","0.0617","","","","","","1.071","","","","has coordinates","259500","2020-12-04","02:11:41",""
"4518201","9.4737","0.0004","36.2928","0.0016","19.9562","0.001","90","","95.112","0.002","90","","6834.2","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(NtBu)carb2py2","","","- C82.52 H77.04 N10 Ti2 -","- C82.522 H77.044 N10 Ti2 -","- C330.088 H308.176 N40 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0698","0.0503","","","0.1068","0.1152","","","","","","1.065","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518202","24.117","0.003","15.0952","0.0014","20.943","0.002","90","","114.01","0.004","90","","6964.6","1.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ti(NtBu)(O^P)3Ti(NtBu)Cl","","","- C80 H78 Cl N2 O3 P3 Ti2 -","- C80 H78 Cl N2 O3 P3 Ti2 -","- C320 H312 Cl4 N8 O12 P12 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0911","0.0747","","","0.1468","0.1525","","","","","","1.227","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518203","9.8644","0.0009","12.5071","0.0011","12.5128","0.001","116.587","0.002","93.947","0.003","112.994","0.003","1213.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ti(NTol)Cl2bipy*","","","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","1","0.5","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0793","0.0506","","","0.1208","0.139","","","","","","1.058","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518204","8.8241","0.0002","15.4498","0.0003","20.9753","0.0005","90","","93.185","0.002","90","","2855.16","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N6 O9.26 -","- C28 H32 N6 O9.256 -","- C112 H128 N24 O37.024 -","4","1","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0502","0.0321","","","0.0795","0.0827","","","","","","0.976","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518205","15.6616","0.0005","16.0618","0.0004","20.4891","0.0006","102.644","0.002","104.632","0.002","98.413","0.002","4753.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H134 Cl4 N14 O16 -","- C89 H134 Cl4 N14 O16 -","- C178 H268 Cl8 N28 O32 -","2","1","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0549","0.0335","","","0.0854","0.0895","","","","","","1.026","","","","has coordinates","259511","2020-12-04","02:14:59",""
"4518206","8.5352","0.0003","20.3585","0.0007","15.2562","0.0005","90","","90.899","0.003","90","","2650.65","0.16","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65 N12 O17 -","- C50 H65 N12 O17 -","- C100 H130 N24 O34 -","2","0.5","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0513","0.0306","","","0.0657","0.068","","","","","","0.903","","","","has coordinates","259511","2020-12-04","02:14:59",""
"4518207","13.5574","0.0003","17.7049","0.0003","29.5129","0.0005","90","","90","","90","","7084.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","1","0.25","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0553","0.0404","","","0.1055","0.111","","","","","","0.989","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518208","8.464","0.0006","14.0128","0.001","12.6748","0.0008","90","","99.102","0.002","90","","1484.36","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br4 Hg N2 -","- C10 H10 Br4 Hg N2 -","- C40 H40 Br16 Hg4 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0238","0.0228","","","0.0545","0.055","","","","","","1.063","","","","has coordinates","259510","2020-12-04","02:14:43",""
"4518209","8.991","0.003","19.04","0.008","9.004","0.003","90","","93.322","0.013","90","","1538.8","1","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C24 H18 Hg I4 N4 -","- C24 H18 Hg I4 N4 -","- C48 H36 Hg2 I8 N8 -","2","0.5","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0487","0.0419","","","0.0983","0.1032","","","","","","1.132","","","","has coordinates,has disorder","259510","2020-12-04","02:14:46",""
"4518210","7.8704","0.0004","15.6908","0.0007","13.8093","0.0007","90","","90.282","0.002","90","","1705.33","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg I4 N2 -","- C10 H10 Hg I4 N2 -","- C40 H40 Hg4 I16 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.039","0.0279","","","0.0584","0.0659","","","","","","1.254","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518211","7.4413","0.0003","21.6102","0.0012","15.4817","0.0008","90","","94.962","0.002","90","","2480.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl6 Hg2 N4 -","- C20 H18 Cl6 Hg2 N4 -","- C80 H72 Cl24 Hg8 N16 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.034","0.0224","","","0.0437","0.0503","","","","","","1.066","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518212","16.3186","0.0006","10.696","0.0004","14.6085","0.0005","90","","107.856","0.001","90","","2427","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl4 Hg N4 O -","- C24 H20 Cl4 Hg N4 O -","- C96 H80 Cl16 Hg4 N16 O4 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0241","0.0223","","","0.054","0.0547","","","","","","1.059","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518213","7.816","0.0007","9.0601","0.0008","18.787","0.0017","86.438","0.003","86.462","0.003","66.489","0.003","1216.59","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Br4 Hg N4 -","- C24 H18 Br4 Hg N4 -","- C48 H36 Br8 Hg2 N8 -","2","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0398","0.0389","","","0.0986","0.0992","","","","","","1.104","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518214","11.7514","0.0004","13.3298","0.0005","9.6736","0.0003","90","","95.87","0.004","90","","1507.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 Cl2 N S -","- C16 H13 Cl2 N S -","- C64 H52 Cl8 N4 S4 -","4","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.044","0.0433","","","0.1113","0.1118","","","","","","1.092","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518215","7.9208","0.0001","5.9641","0.0001","13.9611","0.0002","90","","95.677","0.002","90","","656.294","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H11 Cl2 N S -","- C14 H11 Cl2 N S -","- C28 H22 Cl4 N2 S2 -","2","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.028","0.0263","","","0.0635","0.0642","","","","","","1.054","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518216","12.1646","0.0017","21.938","0.002","16.962","0.002","90","","102.835","0.004","90","","4413.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H90 Br5 N13 Ni4 O3 -","- C81 H90 Br5 N13 Ni4 O3 -","- C162 H180 Br10 N26 Ni8 O6 -","2","1","","Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong","Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines","ACS Catalysis","2020","10","22","13641","13649","10.1021/acscatal.0c03428","","","0.71073","MoKα","","0.0756","0.0511","","","0.1247","0.1352","","","","","","0.992","","","","has coordinates","259504","2020-12-04","02:12:20",""
"4518217","9.9064","0.0002","10.7737","0.0002","13.562","0.0002","90","","103.821","0.002","90","","1405.54","0.05","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 Cl2 P4 Pd2 -","- C18 H46 Cl2 P4 Pd2 -","- C36 H92 Cl4 P8 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0137","0.0136","","","0.0349","0.035","","","","","","1.183","","","","has coordinates","259505","2020-12-04","02:13:24",""
"4518218","6.9572","0.0001","11.9501","0.0002","13.6334","0.0002","90","","98.412","0.002","90","","1121.28","0.03","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N12 P2 Pd2 -","- C12 H30 N12 P2 Pd2 -","- C24 H60 N24 P4 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0223","0.0217","","","0.0593","0.0596","","","","","","1.044","","","","has coordinates","259505","2020-12-04","02:13:33",""
"4518219","7.7922","0.0001","11.736","0.0002","12.1887","0.0002","90","","105.424","0.002","90","","1074.5","0.03","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 P2 Pd2 -","- C16 H22 Cl4 P2 Pd2 -","- C32 H44 Cl8 P4 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0143","0.0141","","","0.0361","0.0363","","","","","","1.178","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518220","9.5404","0.0002","11.4408","0.0002","21.1667","0.0003","90","","90","","90","","2310.34","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Cl O P3 Pd -","- C20 H32 Cl O P3 Pd -","- C80 H128 Cl4 O4 P12 Pd4 -","4","1","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.015","0.0148","","","0.0381","0.0381","","","","","","1.088","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518221","23.5646","0.0002","13.3084","0.0001","38.4626","0.0003","90","","90","","90","","12062.2","0.17","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H60 N24 P4 Pd4 -","- C46 H60 N24 P4 Pd4 -","- C368 H480 N192 P32 Pd32 -","8","2","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0365","0.0362","","","0.0971","0.0973","","","","","","1.17","","","","has coordinates,has disorder","259505","2020-12-04","02:13:35",""
"4518222","9.986","0.0002","11.4915","0.0002","17.4719","0.0003","78.881","0.002","86.644","0.002","71.922","0.002","1870.22","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H62 Cl2 P4 Pd2 -","- C30 H62 Cl2 P4 Pd2 -","- C60 H124 Cl4 P8 Pd4 -","2","1","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0168","0.0157","","","0.043","0.0434","","","","","","1.033","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518223","8.2958","0.0013","11.681","0.003","12.753","0.003","88.841","0.006","89.295","0.006","71.562","0.006","1172.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2,4-dimethylphenyl)-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C26 H23 N3 O3 S -","- C26 H23 N3 O3 S -","- C52 H46 N6 O6 S2 -","2","1","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.0765","0.0506","","","0.1349","0.1519","","","","","","1.018","","","","has coordinates","259506","2020-12-04","02:13:46",""
"4518224","17.8975","0.0013","11.9162","0.0008","41.526","0.003","90","","90","","90","","8856.3","1.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2E)-N-cyclohexyl-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C24 H25 N3 O3 S -","- C23.115 H23.3775 N3 O3 S -","- C369.84 H374.04 N48 O48 S16 -","16","2","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.1318","0.064","","","0.1427","0.1747","","","","","","1.023","","","","has coordinates,has disorder","259506","2020-12-04","02:13:46",""
"4518225","17.9642","0.0007","18.9843","0.0007","17.5158","0.0007","90","","90","","90","","5973.5","0.4","120","2","120","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C51 H35 N5 O9 S8 Zn2 -","- C51 H35 N5 O9 S8 Zn2 -","- C204 H140 N20 O36 S32 Zn8 -","4","1","","Weng, Yi-Gang; Yin, Wen-Yu; Jiang, Miao; Hou, Jin-Le; Shao, Jie; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-Based Metal-Organic Framework as a High-Performance Anode for Lithium-Ion Batteries.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14510","","","0.71073","MoKα","","0.0947","0.0637","","","0.1667","0.192","","","","","","1.099","","","","has coordinates","259090","2020-11-11","22:14:17",""
"4518226","10.951","0.002","10.931","0.002","21.238","0.004","90","","99.78","0.03","90","","2505.4","0.8","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H9 N O4 S2 Zn -","- C16 H9 N O4 S2 Zn -","- C64 H36 N4 O16 S8 Zn4 -","4","1","","Weng, Yi-Gang; Yin, Wen-Yu; Jiang, Miao; Hou, Jin-Le; Shao, Jie; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-Based Metal-Organic Framework as a High-Performance Anode for Lithium-Ion Batteries.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14510","","","0.71073","MoKα","","0.0586","0.0442","","","0.1047","0.1119","","","","","","1.118","","","","has coordinates,has disorder","259091","2020-11-11","22:14:47",""
"4518227","7.0293","0.0003","29.2917","0.0007","12.7862","0.0004","90","","99.495","0.003","90","","2596.61","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Ca2 O36 -","- C46 H54 Ca2 O36 -","- C92 H108 Ca4 O72 -","2","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0872","0.0791","","","0.1913","0.1969","","","","","","1.098","","","","has coordinates","259508","2020-12-04","02:14:09",""
"4518228","31.90641","0.00018","6.99799","0.00005","22.92769","0.00014","90","","95.6148","0.0006","90","","5094.75","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H53.62 O35 Zn2 -","- C46 H53.62 O35 Zn2 -","- C184 H214.48 O140 Zn8 -","4","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","","1.54184","CuKα","","0.0327","0.0304","","","0.0782","0.0797","","","","","","1.046","","","","has coordinates,has disorder","259508","2020-12-04","02:14:10",""
"4518229","7.3421","0.0001","10.3741","0.0001","16.8517","0.0002","100.899","0.001","98.916","0.001","93.556","0.001","1239.64","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","Cromolyn-Mg metal complex","","- C23 H26 Mg O17 -","- C23 H26 Mg O17 -","- C46 H52 Mg2 O34 -","2","1","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0482","0.0455","","","0.1224","0.1246","","","","","","1.039","","","","has coordinates","259508","2020-12-04","02:14:10",""
"4518230","18.3661","0.0016","16.0719","0.0014","27.117","0.003","90","","108.602","0.01","90","","7586.2","1.3","298","2","298","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","0.5","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0524","0.0387","","","0.0935","0.1047","","","","","","1.028","","","","has coordinates,has disorder","259507","2020-12-04","02:13:57",""
"4518231","10.7747","0.0008","15.4475","0.001","19.6421","0.0012","109.743","0.006","99.759","0.005","103.575","0.006","2878.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cu I N4 P -","- C29 H31 Cu I N4 P -","- C116 H124 Cu4 I4 N16 P4 -","4","2","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0786","0.0521","","","0.127","0.1555","","","","","","1.103","","","","has coordinates","259507","2020-12-04","02:13:57",""
"4518232","14.7868","0.0007","14.861","0.0006","18.1967","0.0009","75.909","0.004","71.454","0.004","87.961","0.004","3673.1","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H78 Ag2 Cl2 N7 O6 -","- C83 H78 Ag2 Cl2 N7 O6 -","- C166 H156 Ag4 Cl4 N14 O12 -","2","1","","Ghosh, Sanjib; Hossain, Munshi Sahid; Chatterjee, Sheelbhadra; Rahaman, Sk. Atiur; Bandyopadhyay, Subhajit","Light-Gated Modulation of Electronic Mobility of a Dihydropyrene-Based Photochromic Coordination Polymer","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c17513","","x-ray","0.71073","MoKα","","0.0804","0.0684","","","0.1769","0.1846","","","","","","1.067","","","","has coordinates","259129","2020-11-13","22:13:53",""
"4518233","6.3632","0.0005","13.9288","0.0009","17.529","0.0016","98.437","0.006","91.106","0.007","90.596","0.006","1536.4","0.2","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C40 H39 N2 -","- C40 H38 N2 -","- C80 H76 N4 -","2","1","","Ghosh, Sanjib; Hossain, Munshi Sahid; Chatterjee, Sheelbhadra; Rahaman, Sk. Atiur; Bandyopadhyay, Subhajit","Light-Gated Modulation of Electronic Mobility of a Dihydropyrene-Based Photochromic Coordination Polymer","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c17513","","x-ray","1.54184","CuKα","","0.1478","0.1327","","","0.3157","0.3348","","","","","","1.287","","","","has coordinates","259130","2020-11-13","22:14:20",""
"4518234","13.872","0.006","18.09","0.008","20.222","0.008","88.162","0.012","85.843","0.001","88.603","0.008","5057","4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C100 H208 F66 N32 O36 P6 Pd4 Pt8 Rh4 -","2","1","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1735","0.0925","","","0.1452","0.1771","","","","","","1.094","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518235","30.731","0.013","11.615","0.004","22.369","0.01","90","","128.996","0.005","90","","6205","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C144 H336 F72 N32 O32 P12 Pd4 Pt8 -","4","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1027","0.0699","","","0.1533","0.1729","","","","","","1.133","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518236","13.336","0.003","14.243","0.003","14.118","0.003","90","","97.164","0.003","90","","2660.7","1","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C56 H128 F24 N16 O24 P4 Pd2 Pt4 Rh4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.083","0.0544","","","0.1035","0.1191","","","","","","1.086","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518237","11.331","0.002","22.019","0.005","12.253","0.003","90","","95.145","0.003","90","","3044.8","1.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C72 H176 F24 N16 O20 P4 Pd2 Pt4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.044","0.0364","","","0.0955","0.1036","","","","","","1.123","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518238","11.2943","0.0004","19.0183","0.0006","18.5286","0.0008","90","","101.816","0.003","90","","3895.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H32 Cl6 -","- C50 H32 Cl6 -","- C200 H128 Cl24 -","4","1","","Haags, Anja; Reichmann, Alexander; Fan, Qitang; Egger, Larissa; Kirschner, Hans; Naumann, Tim; Werner, Simon; Vollgraff, Tobias; Sundermeyer, Jörg; Eschmann, Lukas; Yang, Xiaosheng; Brandstetter, Dominik; Bocquet, François C.; Koller, Georg; Gottwald, Alexander; Richter, Mathias; Ramsey, Michael G.; Rohlfing, Michael; Puschnig, Peter; Gottfried, J. Michael; Soubatch, Serguei; Tautz, F. Stefan","Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization","ACS Nano","2020","","","","","10.1021/acsnano.0c06798","","","1.54178","CuKα","","0.0674","0.0535","","","0.1462","0.158","","","","","","1.019","","","","has coordinates","259145","2020-11-14","22:47:47",""
"4518239","11.6913","0.0003","21.5989","0.0005","26.9587","0.001","90","","93.36","0.003","90","","6795.9","0.3","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Mo5 N8 Ni2 O34 P2 -","- C46 H56 Mo5 N8 Ni2 O34 P2 -","- C184 H224 Mo20 N32 Ni8 O136 P8 -","4","1","","Zheng, Yang; Xu, Xinxin","Surface Atom Regulation on Polyoxometalate Electrocatalyst for Simultaneous Low-Voltage H<sub>2</sub> Production and Phenol Degradation.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14431","","x-ray","0.71073","MoKα","","0.0562","0.0408","","","0.0752","0.0813","","","","","","1.084","","","","has coordinates","259169","2020-11-18","22:14:23",""
"4518240","7.7262","0.001","17.898","0.002","6.8819","0.0007","90","","90","","90","","951.65","0.19","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H8 Br3 Cd N S -","- C3 H10 Br3 Cd N S -","- C12 H40 Br12 Cd4 N4 S4 -","4","0.5","","He, Lei; Liu, Yuting; Shi, Pingping; Cai, Hongling; Fu, Dawei; Ye, Qiong","Energy Harvesting and Pd(II) Sorption Based on Organic-Inorganic Hybrid Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16180","","","0.71073","MoKα","","0.0626","0.0548","","","0.1362","0.139","","","","","","1.015","","","","has coordinates","259170","2020-11-18","22:14:53",""
"4518241","7.7434","0.0004","17.9097","0.0014","6.8556","0.0003","90","","90","","90","","950.75","0.1","213","","213","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H8 Br3 Cd N S -","- C3 H8 Br3 Cd N S -","- C12 H32 Br12 Cd4 N4 S4 -","4","0.5","","He, Lei; Liu, Yuting; Shi, Pingping; Cai, Hongling; Fu, Dawei; Ye, Qiong","Energy Harvesting and Pd(II) Sorption Based on Organic-Inorganic Hybrid Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16180","","","0.71073","MoKα","","0.1006","0.0946","","","0.2662","0.276","","","","","","1.05","","","","has coordinates","259171","2020-11-18","22:15:16",""
"4518242","16.6287","0.001","9.5046","0.0005","14.4444","0.0008","90","","109.835","0.008","90","","2147.5","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F N O5 S -","- C25 H20 F N O5 S -","- C100 H80 F4 N4 O20 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","0.1369","0.0689","","","0.099","0.115","","","","","","1.037","","","","has coordinates,has disorder","259188","2020-11-19","22:26:27",""
"4518243","8.0552","0.0005","11.7776","0.0005","12.3272","0.0006","105.882","0.007","95.33","0.007","93.032","0.007","1116.24","0.11","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F N O5 S -","- C26 H22 F N O5 S -","- C52 H44 F2 N2 O10 S2 -","2","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0615","","","","0.1388","","","","","","1.02","","","","has coordinates","259189","2020-11-19","22:26:53",""
"4518244","20.9621","0.0004","13.2147","0.0002","17.096","0.0003","90","","90","","90","","4735.73","0.14","173","","173","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H22 F3 N O4 S -","- C26 H22 F3 N O4 S -","- C208 H176 F24 N8 O32 S8 -","8","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0401","","","","0.1151","","","","","","1.033","","","","has coordinates","259190","2020-11-19","22:27:15",""
"4518245","11.9745","0.0006","8.5948","0.0005","25.5692","0.0012","90","","103.368","0.007","90","","2560.2","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H28 F2 N O6.5 S -","- C27.5 H28 F2 N O6.5 S -","- C110 H112 F8 N4 O26 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0645","","","","0.1371","","","","","","1.054","","","","has coordinates","259191","2020-11-19","22:27:37",""
"4518246","20.8044","0.0007","9.0158","0.0003","10.0248","0.0003","90","","90","","90","","1880.33","0.11","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 F N O4 S -","- C20 H20 F N O4 S -","- C80 H80 F4 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0371","","","","0.0749","","","","","","0.92","","","","has coordinates","259192","2020-11-19","22:28:01",""
"4518247","18.2175","0.0007","7.7392","0.0003","16.7579","0.0008","90","","102.923","0.007","90","","2302.83","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 F2 N O4 S -","- C26 H25 F2 N O4 S -","- C104 H100 F8 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","0.1248","0.0721","","","0.137","0.1525","","","","","","1.051","","","","has coordinates,has disorder","259193","2020-11-19","22:28:30",""
"4518248","8.91","0.0003","10.057","0.0003","20.0309","0.0006","90","","102.026","0.008","90","","1755.53","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0432","","","","0.1027","","","","","","1.147","","","","has coordinates","259194","2020-11-19","22:28:59",""
"4518249","9.9672","0.0004","13.3088","0.0005","17.6941","0.0007","90","","97.059","0.007","90","","2329.36","0.16","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 F2 N O5 S -","- C26 H23 F2 N O5 S -","- C104 H92 F8 N4 O20 S4 -","4","2","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0557","","","","0.1002","","","","","","1.013","","","","has coordinates","259195","2020-11-19","22:29:22",""
"4518250","8.8969","0.0004","10.1294","0.0005","20.1617","0.0008","90","","101.962","0.008","90","","1777.52","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F2 N O4 S -","- C19 H17 F2 N O4 S -","- C76 H68 F8 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0583","","","","0.1203","","","","","","1.029","","","","has coordinates","259196","2020-11-19","22:29:44",""
"4518251","9.7433","0.0003","7.3884","0.0003","15.0351","0.0005","90","","97.095","0.007","90","","1074.05","0.07","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N O4 S -","- C25 H20 F3 N O4 S -","- C50 H40 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0341","","","","0.0859","","","","","","1.043","","","","has coordinates","259197","2020-11-19","22:30:06",""
"4518252","14.061","0.019","4.73","0.006","19.56","0.03","90","","106.578","0.017","90","","1247","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0762","0.0505","","","0.1471","0.1652","","","","","","0.987","","","","has coordinates","259201","2020-11-20","22:27:06",""
"4518253","5.082","0.0016","12.179","0.004","38.766","0.012","90","","105.1","0.005","90","","2316.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C112 H88 N8 O8 S8 -","8","2","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0642","0.0545","","","0.1472","0.1543","","","","","","1.09","","","","has coordinates","259202","2020-11-20","22:27:33",""
"4518254","13.162","0.004","7.262","0.002","13.191","0.004","90","","109.17","0.004","90","","1190.9","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 S -","- C14 H12 N2 S -","- C56 H48 N8 S4 -","4","1","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0465","0.0374","","","0.1106","0.1165","","","","","","1.079","","","","has coordinates","259203","2020-11-20","22:27:59",""
"4518255","13.152","0.004","6.687","0.002","15.824","0.005","90","","95.99","0.008","90","","1384.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H19 Cl3 N4 O2 S -","- C27 H19 Cl3 N4 O2 S -","- C54 H38 Cl6 N8 O4 S2 -","2","0.5","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.1411","0.0935","","","0.2316","0.263","","","","","","1.091","","","","has coordinates,has disorder","259204","2020-11-20","22:28:35",""
"4518256","7.2703","0.0014","23.841","0.005","7.9637","0.0015","90","","102.852","0.002","90","","1345.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0452","0.0407","","","0.1126","0.116","","","","","","1.038","","","","has coordinates","259205","2020-11-20","22:28:58",""
"4518257","9.1412","0.0002","9.1412","0.0002","18.5205","0.0006","90","","90","","90","","1547.6","0.07","98","2","98","2","","","","","","","","3","P 41","P 4w","76","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","0.71073","MoKα","","0.0458","0.0446","","","0.0976","0.099","","","","","","1.068","","","","has coordinates","259207","2020-11-20","22:55:46",""
"4518258","9.18072","0.00012","9.24659","0.00012","26.9361","0.0003","90","","90","","90","","2286.62","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O4 S -","- C26 H33 N O4 S -","- C104 H132 N4 O16 S4 -","4","1","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","1.54184","CuKα","","0.0346","0.0338","","","0.0839","0.0844","","","","","","1.026","","","","has coordinates","259208","2020-11-20","22:56:10",""
"4518259","7.6756","0.0002","20.7238","0.0005","9.8982","0.0003","90","","100.184","0.002","90","","1549.68","0.07","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","2","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","0.71073","MoKα","","0.0464","0.0457","","","0.1024","0.1028","","","","","","1.064","","","","has coordinates,has disorder","259209","2020-11-20","22:56:31",""
"4518260","16.6732","0.0007","7.8057","0.0003","16.9323","0.0007","90","","103.9","0.001","90","","2139.14","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 F3 N O2 S -","- C24 H24 F3 N O2 S -","- C96 H96 F12 N4 O8 S4 -","4","1","","Apolinar, Omar; Tran, Van T.; Kim, Nana; Schmidt, Michael A.; Derosa, Joseph; Engle, Keary M.","Sulfonamide Directivity Enables Ni-Catalyzed 1,2-Diarylation of Diverse Alkenyl Amines","ACS Catalysis","2020","","","14234","14239","10.1021/acscatal.0c03857","","x-ray","0.71073","MoKα","","0.0494","0.0363","","","0.0842","0.0903","","","","","","1.027","","","","has coordinates","259215","2020-11-21","22:30:37",""
"4518261","10.7674","0.0003","9.7908","0.0002","16.6353","0.0004","90","","100.786","0.001","90","","1722.73","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C80 H72 N16 O12 -","4","1","","Pham, Thanh Chung; Lee, Seongman; Kim, Dongwon; Jung, Ok-Sang; Lee, Myung Won; Lee, Songyi","Visual Simultaneous Detection and Real-Time Monitoring of Cadmium Ions Based on Conjugated Polydiacetylenes","ACS Omega","2020","","","","","10.1021/acsomega.0c04636","","","0.71073","MoKα","","0.0545","0.0446","","","0.1102","0.1198","","","","","","1.022","","","","has coordinates","259235","2020-11-24","22:35:03",""
"4518262","9.6559","0.0003","10.0445","0.0003","14.3756","0.0005","103.534","0.001","93.348","0.001","107.223","0.001","1282.47","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 O2 -","- C34 H26 N2 O2 -","- C68 H52 N4 O4 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","","0.71076","MoKα","","0.0582","0.0441","","","0.1026","0.1138","","","","","","1.03","","","","has coordinates","259236","2020-11-24","22:35:38",""
"4518263","9.2551","0.0004","9.7521","0.0004","9.964","0.0005","79.683","0.001","62.752","0.001","75.392","0.001","771.56","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F N O2 -","- C19 H14 F N O2 -","- C38 H28 F2 N2 O4 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","","0.71076","MoKα","","0.0599","0.0454","","","0.1121","0.1215","","","","","","1.056","","","","has coordinates","259237","2020-11-24","22:36:15",""
"4518264","8.4462","0.0004","8.9559","0.0004","9.0736","0.0004","91.876","0.004","92.266","0.004","110.478","0.004","641.69","0.05","299.26","0.1","299.26","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","x-ray","0.71073","MoKα","","0.0897","0.0606","","","0.1617","0.1803","","","","","","1.129","","","","has coordinates","259238","2020-11-24","22:36:42",""
"4518265","48.202","0.003","48.202","","13.401","0.0009","90","","90","","120","","26965","2","296","","296.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29 H9 Ca N O13.5 Zn -","- C29 H9 Ca N O13.5 Zn -","- C522 H162 Ca18 N18 O243 Zn18 -","18","0.5","","Chen, Hongtai; Fan, Liming; Zhang, Xiutang","Highly Robust 3s-3d {CaZn}-Organic Framework for Excellent Catalytic Performance on Chemical Fixation of CO<sub>2</sub> and Knoevenagel Condensation Reaction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c18267","","","0.71073","MoKα","","0.1268","0.0744","","","0.198","0.2221","","","","","","1.013","","","","has coordinates","259250","2020-11-25","22:14:19",""
"4518266","8.3518","0.0007","9.1518","0.0008","9.0312","0.0009","90","","112.947","0.003","90","","635.67","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C24 H30 N2 O12 -","2","1","","Niederer, Kyle A.; Gilmartin, Philip H.; Kozlowski, Marisa C.","Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Nonenzymatic, Catalytic Method for Coupling Tyrosine","ACS Catalysis","2020","","","14615","14623","10.1021/acscatal.0c04515","","","0.71073","MoKα","","0.0311","0.0295","","","0.0685","0.0692","","","","","","1.103","","","","has coordinates","259259","2020-11-26","22:29:24",""
"4518267","15.6719","0.0016","17.744","0.0015","20.2811","0.0019","75.588","0.003","83.904","0.003","69.178","0.003","5104.6","0.8","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H112 N10 Zn -","- C132 H112 N10 Zn -","- C264 H224 N20 Zn2 -","2","1","","Lu, Chenwei; Wang, Chunlai; Jimenez, Jayvic C.; Rheingold, Arnold L.; Sauvé, Genevieve","Large Non-planar Conjugated Molecule with Strong Intermolecular Interactions Achieved with Homoleptic Zn(II) Complex of Di(5-quinolylethynyl)-tetraphenylazadipyrromethene","ACS Omega","2020","","","","","10.1021/acsomega.0c05169","","","0.71073","MoKα","","0.1047","0.0708","","","0.2054","0.2327","","","","","","1.065","","","","has coordinates","259261","2020-11-26","22:41:03",""
"4518268","34.6467","0.0011","5.3942","0.0002","43.381","0.0013","90","","90","","90","","8107.5","0.5","220","2","220","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H40 S11 -","- C40 H40 S11 -","- C320 H320 S88 -","8","2","","Lin, Chia-Chi; Afraj, Shakil N.; Velusamy, Arulmozhi; Yu, Po-Chun; Cho, Chang-Hui; Chen, Jianhua; Li, Yi-Hsien; Lee, Gene-Hsiang; Tung, Shih-Huang; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio","A Solution Processable Dithioalkyl Dithienothiophene (DSDTT) Based Small Molecule and Its Blends for High Performance Organic Field Effect Transistors.","ACS nano","2020","","","","","10.1021/acsnano.0c07003","","","1.54178","CuKα","","0.0715","0.0602","","","0.1421","0.1483","","","","","","1.071","","","","has coordinates,has disorder","259416","2020-12-01","22:49:56",""
"4518269","10.5142","0.0006","13.9784","0.0008","19.3527","0.0011","90","","100.698","0.002","90","","2794.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ZXK_L9","","- C38 H28 P2 -","- C38 H28 P2 -","- C152 H112 P8 -","4","1","","Chen, Xiao-Yang; Zhou, Xukai; Wang, Jianchun; Dong, Guangbin","FMPhos: Expanding the Catalytic Capacity of Small-Bite-Angle Bisphosphine Ligands in Regioselective Alkene Hydrofunctionalizations","ACS Catalysis","2020","","","14349","14358","10.1021/acscatal.0c04199","","","0.71073","MoKα","","0.0669","0.0423","","","0.0905","0.0999","","","","","","1.028","","","","has coordinates","259484","2020-12-03","19:41:09",""
"4518270","11.4984","0.0006","18.3575","0.001","12.3063","0.0007","90","","115.676","0.003","90","","2341.1","0.2","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","6","","","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C86 H90 Cl4 F12 Fe2 Mo2 N6 O12 S4 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0528","0.0352","","","0.0544","0.0576","","","","","","1.041","","","","has coordinates","259485","2020-12-03","22:23:19",""
"4518271","12.9087","0.0007","16.1499","0.0009","20.173","0.0011","101.303","0.002","101.414","0.003","103.356","0.002","3879.9","0.4","135","2","135","2","","","","","","","","7","P -1","-P 1","2","3","","","- C77 H61 B F33 Mo N3 O -","- C77 H61 B F33 Mo N3 O -","- C154 H122 B2 F66 Mo2 N6 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0672","0.0431","","","0.1062","0.115","","","","","","1.042","","","","has coordinates,has disorder","259486","2020-12-03","22:23:42",""
"4518272","12.8175","0.0006","15.5311","0.0008","20.3008","0.001","104.613","0.003","96.591","0.003","92.48","0.002","3873.7","0.3","135","2","135","2","","","","","","","","7","P -1","-P 1","2","4","","","- C75 H59 B F33 Mo N3 O -","- C75 H59 B F33 Mo N3 O -","- C150 H118 B2 F66 Mo2 N6 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0836","0.0672","","","0.1649","0.1709","","","","","","1.043","","","","has coordinates,has disorder","259487","2020-12-03","22:24:07",""
"4518273","12.8554","0.0004","16.2503","0.0006","19.8326","0.0007","105.02","0.002","96.524","0.002","96.704","0.003","3929.2","0.2","135","2","135","2","","","","","","","","8","P -1","-P 1","2","2","","","- C77 H58 B Cl2 F33 Mo N4 O -","- C77 H58 B Cl2 F33 Mo N4 O -","- C154 H116 B2 Cl4 F66 Mo2 N8 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.1153","0.0629","","","0.1413","0.157","","","","","","1.042","","","","has coordinates,has disorder","259488","2020-12-03","22:24:31",""
"4518274","12.871","0.0008","15.3569","0.001","39.432","0.002","83.163","0.003","86.32","0.003","89.432","0.004","7722.7","0.8","135","2","135","2","","","","","","","","7","P -1","-P 1","2","1","","","- C76 H58.5 B F33 Mo N3.5 O -","- C76 H58.5 B F33 Mo N3.5 O -","- C304 H234 B4 F132 Mo4 N14 O4 -","4","2","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.1025","0.0578","","","0.1247","0.1368","","","","","","1.05","","","","has coordinates,has disorder","259489","2020-12-03","22:25:01",""
"4518275","12.4112","0.0006","10.6334","0.0006","23.3549","0.0012","90","","103.504","0.002","90","","2997","0.3","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5","","","- C26 H21 F18 Mo N O2 -","- C26 H21 F18 Mo N O2 -","- C104 H84 F72 Mo4 N4 O8 -","4","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0484","0.0326","","","0.0766","0.0828","","","","","","1.024","","","","has coordinates,has disorder","259490","2020-12-03","22:25:26",""
"4518276","6.1585","0.0004","4.6786","0.0002","26.8306","0.0016","90","","96.26","0.002","90","","768.46","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.0558","0.0393","","","0.082","0.0904","","","","","","1.04","","","","has coordinates","259491","2020-12-03","22:26:08",""
"4518277","14.8957","0.0007","12.8359","0.0006","8.415","0.0003","90","","111.928","0.0017","90","","1492.55","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.0639","0.0482","","","0.1199","0.1393","","","","","","1.071","","","","has coordinates","259491","2020-12-03","22:26:10",""
"4518278","16.8594","0.0011","16.8594","0.0011","8.3896","0.0007","90","","90","","120","","2065.2","0.3","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C13 H19 N O -","- C13 H19 N O -","- C78 H114 N6 O6 -","6","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.114","0.0605","","","0.1324","0.1591","","","","","","1.022","","","","has coordinates","259491","2020-12-03","22:26:19",""
"4518279","13.2511","0.0019","13.2511","0.0019","23.039","0.005","90","","90","","120","","3503.5","1","373","2","373","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag9.02 O118.9 Si54 -","- Ag9.906 O118.8 Si54 -","- Ag9.906 O118.8 Si54 -","1","0.0277778","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0856","0.0778","","","0.2329","0.2395","","","","","","1.129","","","","has coordinates","260415","2021-01-04","03:06:23",""
"4518280","12.912","0.003","12.912","0.003","23.67","0.005","90","0.03","90","0.03","120","0.03","3417.6","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.75 O108 Si54 -","- Ag9.714 O108 Si54 -","- Ag9.714 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1102","0.0874","","","0.2285","0.2522","","","","","","1.127","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518281","12.9559","0.0018","12.9559","0.0018","23.611","0.005","90","","90","","120","","3432.3","1","498","2","498","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag9.54 O108.74 Si54 -","- Ag9.495 O108 Si54 -","- Ag9.495 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1254","0.0645","","","0.1685","0.1967","","","","","","0.908","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518282","13.2131","0.0003","13.2131","0.0003","23.2393","0.001","90","","90","","120","","3513.69","0.19","398","2","398","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag13.82 O121.24 Si54 -","- Ag14.886 O127.62 Si54 -","- Ag14.886 O127.62 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.085","0.0723","","","0.2013","0.2143","","","","","","1.113","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518283","13.3661","0.0004","13.3661","0.0004","22.6328","0.0008","90","","90","","120","","3501.7","0.19","323","2","323","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag3.41 O46.34 Si18 -","- Ag3.606 O46.368 Si18 -","- Ag10.818 O139.104 Si54 -","3","0.0833333","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.066","0.0597","","","0.1742","0.1805","","","","","","1.033","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518284","12.943","0.003","12.943","0.003","23.641","0.005","90","0.03","90","0.03","120","0.03","3429.8","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.8 O108 Si54 -","- Ag7.728 O108 Si54 -","- Ag7.728 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1092","0.0812","","","0.224","0.2508","","","","","","1.101","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518285","12.955","0.003","12.955","0.003","23.623","0.005","90","0.03","90","0.03","120","0.03","3433.5","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.98 O108 Si54 -","- Ag8.511 O108 Si54 -","- Ag8.511 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1198","0.0758","","","0.2118","0.2416","","","","","","1.092","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518286","13.115","0.0004","13.115","0.0004","23.4675","0.0013","90","","90","","120","","3495.7","0.2","423","2","423","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag11.41 O112.23 Si54 -","- Ag11.484 O112.77 Si54 -","- Ag11.484 O112.77 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0946","0.0862","","","0.2407","0.2491","","","","","","1.126","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518287","14.5145","0.0006","8.2297","0.0003","4.6059","0.0002","82.122","0.003","93.736","0.004","94.11","0.003","542.73","0.04","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C26 H32 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0815","0.0569","","","0.1555","0.1752","","","","","","1.149","","","","has coordinates","259547","2020-12-05","00:39:24",""
"4518288","8.186","0.0004","7.2626","0.0005","15.1791","0.0008","90","","101.81","0.005","90","","883.32","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C44 H48 O8 -","2","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0914","0.0819","","","0.2133","0.2335","","","","","","1.064","","","","has coordinates","259548","2020-12-05","00:39:44",""
"4518289","21.8747","0.0011","8.1797","0.0003","4.6063","0.0001","81.057","0.003","92.57","0.004","86.488","0.004","811.41","0.05","94.9","0.2","94.9","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H56 O4 -","- C38 H56 O4 -","- C38 H56 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.155","0.1491","","","0.3545","0.3565","","","","","","1.155","","","","has coordinates","259549","2020-12-05","00:40:00",""
"4518290","16.9493","0.0006","8.1949","0.0004","4.6048","0.0002","81.744","0.004","93.137","0.003","90.74","0.003","632.01","0.05","94.9","0.2","94.9","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H40 O4 -","- C30 H40 O4 -","- C30 H40 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0607","0.0506","","","0.1403","0.1608","","","","","","1.113","","","","has coordinates","259550","2020-12-05","00:40:15",""
"4518291","19.4039","0.0008","8.1902","0.0003","4.6058","0.0002","81.289","0.003","92.907","0.004","88.36","0.003","722.1","0.05","94.95","0.18","94.95","0.18","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C34 H48 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0573","0.0463","","","0.1211","0.135","","","","","","1.046","","","","has coordinates","259551","2020-12-05","00:40:29",""
"4518292","8.053","0.003","12.738","0.005","21.031","0.008","103.346","0.005","91.678","0.004","100.766","0.006","2056.2","1.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 N O2 S2 -","- C26 H17 N O2 S2 -","- C104 H68 N4 O8 S8 -","4","2","","Taki, Masayasu; Kajiwara, Keiji; Yamaguchi, Eriko; Sato, Yoshikatsu; Yamaguchi, Shigehiro","Fused Thiophene-S,S-dioxide-Based Super-Photostable Fluorescent Marker for Lipid Droplets","ACS Materials Letters","2020","","","42","49","10.1021/acsmaterialslett.0c00451","","","0.71075","MoKα","","0.1168","0.0587","","","0.1002","0.1332","","","","","","1.066","","","","has coordinates","259569","2020-12-05","22:46:50",""
"4518293","18.5988","0.0004","13.7054","0.0003","26.5064","0.0004","90","","104.133","0.0016","90","","6552.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H45.5 Br2 F6 I2 O10 -","- C79 H45.5 Br2 F6 I2 O10 -","- C316 H182 Br8 F24 I8 O40 -","4","2","","Lai, Junshan; Fianchini, Mauro; Pericàs, Miquel A.","Development of Immobilized SPINOL-Derived Chiral Phosphoric Acids for Catalytic Continuous Flow Processes. Use in the Catalytic Desymmetrization of 3,3-Disubstituted Oxetanes","ACS Catalysis","2020","","","14971","14983","10.1021/acscatal.0c04497","","","0.71075","MoKα","","0.0993","0.0676","","","0.1666","0.1756","","","","","","1.151","","","","has coordinates,has disorder","259633","2020-12-06","22:22:23",""
"4518294","10.5561","0.0008","23.972","0.002","13.3418","0.0011","90","","92.033","0.002","90","","3374","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H32 Br2 Cl2 N4 O Pd -","- C32 H30 Br2 Cl2 N4 O Pd -","- C128 H120 Br8 Cl8 N16 O4 Pd4 -","4","1","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.1308","0.0716","","","0.1905","0.2298","","","","","","1.112","","","","has coordinates,has disorder","260413","2021-01-04","03:05:42",""
"4518295","16.2158","0.0006","18.1879","0.0007","9.2992","0.0004","90","","90","","90","","2742.63","0.19","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H35 Br2 N5 O Pd -","- C26 H31 Br2 N5 O Pd -","- C104 H124 Br8 N20 O4 Pd4 -","4","0.5","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.0473","0.0342","","","0.108","0.1299","","","","","","0.989","","","","has coordinates","260413","2021-01-04","03:05:43",""
"4518296","6.568","0.0003","11.6282","0.0005","23.0177","0.0009","75.5708","0.0013","83.3292","0.0016","78.5791","0.0015","1664.65","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0763","0.0408","","","0.096","0.112","","","","","","1.015","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518297","6.5588","0.0005","11.5965","0.0009","22.9328","0.0019","75.503","0.002","83.173","0.004","78.623","0.003","1651.1","0.2","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0729","0.0468","","","0.1207","0.1351","","","","","","1.056","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518298","6.5414","0.0003","11.5478","0.0004","22.833","0.0008","75.2496","0.0011","82.6125","0.0013","78.6305","0.0013","1629.61","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0535","0.035","","","0.0825","0.0914","","","","","","1.047","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518299","6.5356","0.0003","11.5341","0.0004","22.7933","0.0008","75.1696","0.001","82.3422","0.0013","78.4758","0.0012","1621.36","0.11","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0448","0.0332","","","0.0802","0.0865","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518300","6.5315","0.0003","11.5254","0.0004","22.771","0.0008","75.117","0.0011","82.1363","0.0013","78.3126","0.0013","1615.78","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0423","0.0331","","","0.0822","0.0878","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518301","6.5139","0.0005","11.5037","0.0008","22.7147","0.0015","75.0113","0.0018","81.627","0.002","77.828","0.002","1599.7","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0637","0.037","","","0.0686","0.0762","","","","","","1.053","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518302","6.6304","0.0002","21.0748","0.0007","23.9202","0.0007","90","","90.003","0.0013","90","","3342.47","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1429","0.0537","","","0.1049","0.1326","","","","","","1.031","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518303","6.6058","0.0003","21.0338","0.0009","23.8461","0.001","90","","90.0345","0.0019","90","","3313.3","0.2","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1535","0.0587","","","0.1067","0.1347","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518304","6.5928","0.0004","21.0139","0.0011","23.8126","0.0012","90","","90.045","0.002","90","","3299","0.3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1544","0.0611","","","0.1089","0.1361","","","","","","1.03","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518305","6.5696","0.0004","20.9644","0.0011","23.7521","0.0013","90","","90.06","0.002","90","","3271.3","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1438","0.0621","","","0.1216","0.1494","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518306","6.5457","0.0006","15.7693","0.0012","16.544","0.0013","80.615","0.003","78.588","0.003","78.062","0.003","1624.4","0.2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1361","0.0786","","","0.2228","0.2574","","","","","","1.045","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518307","6.5348","0.0006","15.7451","0.0013","16.5205","0.0013","80.633","0.003","78.662","0.003","78.214","0.004","1618.1","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1366","0.0865","","","0.2461","0.2808","","","","","","1.06","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518308","6.5234","0.0006","15.7418","0.0013","16.5027","0.0013","80.546","0.003","78.61","0.003","78.031","0.003","1611.7","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1253","0.0795","","","0.2308","0.2611","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518309","6.519","0.0006","15.7324","0.0013","16.4956","0.0013","80.55","0.003","78.591","0.003","78.079","0.003","1609.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1256","0.0816","","","0.2297","0.2571","","","","","","1.055","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518310","6.5067","0.0005","15.7132","0.0011","16.4758","0.0012","80.514","0.003","78.597","0.003","78.097","0.003","1602.2","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1181","0.0789","","","0.1999","0.2226","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518311","6.4984","0.0005","15.701","0.0011","16.4654","0.0012","80.51","0.003","78.607","0.003","78.086","0.003","1597.9","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1177","0.0816","","","0.2193","0.2425","","","","","","1.035","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518312","6.4946","0.0005","15.6923","0.0011","16.4564","0.0011","80.465","0.003","78.618","0.003","78.041","0.003","1594.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1063","0.0799","","","0.2238","0.2456","","","","","","1.062","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518313","6.6281","0.0002","21.0702","0.0006","23.9189","0.0007","90","","90.0073","0.0013","90","","3340.4","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1455","0.0529","","","0.104","0.1346","","","","","","1.014","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518314","36.195","0.002","22.3462","0.0015","23.7378","0.0013","90","","90","","90","","19200","2","100","2","100","2","","","","","","","","8","P b a n :2","-P 2ab 2b","50","","","","- C304 H296 Ag8 Au10 Cl2 N8 O8 P8 -","- C304 H296 Ag8 Au10 N8 P8 -","- C608 H592 Ag16 Au20 N16 P16 -","2","0.25","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.1024","0.0612","","","0.178","0.2086","","","","","","1.03","","","","has coordinates","260408","2021-01-04","03:03:01",""
"4518315","51.903","0.005","12.622","0.0014","40.038","0.003","90","","100.445","0.003","90","","25795","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H220 Ag4 Au6 N10 -","- C192 H188 Ag4 Au6 N8 -","- C768 H752 Ag16 Au24 N32 -","4","0.5","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.1709","0.0896","","","0.2331","0.2668","","","","","","1.078","","","","has coordinates","260408","2021-01-04","03:03:02",""
"4518316","40.5381","0.0012","40.5381","0.0012","24.2982","0.0006","90","","90","","90","","39930.1","1.9","100","2","100","2","","","","","","","","8","P 4 2 2","P 4 2","89","","","","- C336 H304 Ag8 Au10 Cl2 N8 O8 P8 -","- C336 H304 Ag8 Au10 N8 P8 -","- C1344 H1216 Ag32 Au40 N32 P32 -","4","0.5","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.0708","0.0529","","","0.1464","0.1572","","","","","","1.061","","","","has coordinates","260408","2021-01-04","03:03:02",""
"4518317","5.7103","0.0001","14.1241","0.0004","21.931","0.0006","90","","90","","90","","1768.8","0.08","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-10r","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0436","0.0377","","","0.116","0.1223","","","","","","0.958","","","","has coordinates","260414","2021-01-04","03:05:51",""
"4518318","22.1472","0.0019","6.7744","0.0006","11.9744","0.001","90","","113.721","0.003","90","","1644.8","0.2","125","2","125","2","","","","","","","","5","C 1 2 1","C 2y","5","(+)-3e","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0514","0.037","","","0.0794","0.0857","","","","","","1.03","","","","has coordinates","260414","2021-01-04","03:05:51",""
"4518319","16.6433","0.0002","16.6433","0.0002","23.8476","0.0004","90","","90","","90","","6605.77","0.16","150","0.1","150","0.1","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C14 H8 O6 Ti -","- C14 H8 O6 Ti -","- C224 H128 O96 Ti16 -","16","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.54184","CuKα","","0.04","0.0384","","","0.1072","0.1089","","","","","","1.084","","","","has coordinates","259875","2020-12-14","22:45:23",""
"4518320","18.7537","0.0003","18.7537","0.0003","21.8194","0.0005","90","","90","","90","","7673.9","0.2","99.9","0.6","99.9","0.6","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C14 H8 O7 S Ti -","- C14 H8 O7 S Ti -","- C224 H128 O112 S16 Ti16 -","16","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.3405","GaKα","","0.058","0.0529","","","0.1621","0.1669","","","","","","1.104","","","","has coordinates","259875","2020-12-14","22:45:34",""
"4518321","10.3196","0.0003","22.1225","0.0005","11.2683","0.0003","90","","113.551","0.004","90","","2358.22","0.13","110.88","0.11","110.88","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O9 S2 Ti -","- C19 H28 O9 S2 Ti -","- C76 H112 O36 S8 Ti4 -","4","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.3405","GaKα","","0.0345","0.0298","","","0.0742","0.0762","","","","","","1.026","","","","has coordinates","259875","2020-12-14","22:45:35",""
"4518322","7.3824","0.0011","15.126","0.003","16.343","0.002","67.449","0.002","88.762","0.002","75.874","0.001","1629.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 I N4 O2 -","- C35 H35 I N4 O2 -","- C70 H70 I2 N8 O4 -","2","1","","Zhang, Cheng; Li, Hua; Lin, Shixin; Su, Yanna; Zhang, Qijian; Li, Yang; Wang, Kuaibing; Lu, Jianmei","Fabrication of One-Dimensional Organic Nanofiber Networks <i>via</i> Electrophoretic Deposition for a Nonvolatile Memory Device.","ACS applied materials & interfaces","2020","12","51","57254","57263","10.1021/acsami.0c09763","","","0.71073","MoKα","","0.0617","0.0472","","","0.1126","0.1218","","","","","","1.211","","","","has coordinates","260407","2021-01-04","03:02:35",""
"4518323","38.8146","0.0015","38.8146","0.0015","11.1146","0.0004","90","","90","","120","","14501.6","0.9","273","2","273","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C414 H204 O232 Tb30 -","- C414 H162 O232.5 Tb30 -","- C414 H162 O232.5 Tb30 -","1","0.111111","","Chai, Hong-mei; Zhang, Gang-qiang; Jiao, Chun-xia; Ren, Yi-xia; Gao, Lou-jun","A Multifunctional Tb-MOF Detector for H2O2, Fe3+, Cr2O72‒, and TPA Explosive Featuring Coexistence of Binuclear and Tetranuclear Clusters","ACS Omega","2020","5","51","33039","33046","10.1021/acsomega.0c04526","","","0.71073","MoKα","","0.0351","0.034","","","0.1143","0.1153","","","","","","1.032","","","","has coordinates","260410","2021-01-04","03:04:12",""
"4518324","11.414","0.0014","10.9106","0.0009","9.0833","0.0011","90","","100.36","0.012","90","","1112.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 O4 -","- C11 H8 N4 O4 -","- C44 H32 N16 O16 -","4","1","","Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Piksin, Sergey E.; Sosnovskikh, Vyacheslav Y.","2,6-Dicyano-4-pyrone as a Novel and Multifarious Building Block for the Synthesis of 2,6-Bis(hetaryl)-4-pyrones and 2,6-Bis(hetaryl)-4-pyridinols","ACS Omega","2020","5","51","33406","33420","10.1021/acsomega.0c05357","","x-ray","0.71073","MoKα","","0.1361","0.0704","","","0.1705","0.2384","","","","","","1.047","","","","has coordinates","260411","2021-01-04","03:04:25",""
"4518325","24.9856","0.001","7.5306","0.0003","24.9215","0.001","90","","166.242","0.0007","90","","1115.21","0.1","150","","150","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","1","","Zhang, Dongwei; Yokomori, So; Kameyama, Ryohei; Zhao, Changbin; Ueda, Akira; Zhang, Lei; Kumai, Reiji; Murakami, Youichi; Meng, Hong; Mori, Hatsumi","Effect of Alkyl Chain Length on Charge Transport Property of Anthracene-Based Organic Semiconductors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16144","","","0.99516","synchrotron","","0.0624","0.053","","","0.138","0.1429","","","","","","0.962","","","","has coordinates","259951","2020-12-18","22:08:46",""
"4518326","20.74","0.002","7.541","0.0008","6.0844","0.0006","90","","95.32","0.01","90","","947.5","0.17","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","0.5","","Zhang, Dongwei; Yokomori, So; Kameyama, Ryohei; Zhao, Changbin; Ueda, Akira; Zhang, Lei; Kumai, Reiji; Murakami, Youichi; Meng, Hong; Mori, Hatsumi","Effect of Alkyl Chain Length on Charge Transport Property of Anthracene-Based Organic Semiconductors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16144","","","0.71073","MoKα","","0.1582","0.0717","","","0.1837","0.2441","","","","","","1.058","","","","has coordinates","259952","2020-12-18","22:09:08",""
"4518327","10.0807","0.0004","11.1859","0.0005","12.2258","0.0005","74.6461","0.0009","84.2332","0.0009","88.2173","0.0009","1322.66","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Rajender052820_1","","","- C28 H33 B Br N O4 -","- C28 H33 B Br N O4 -","- C56 H66 B2 Br2 N2 O8 -","2","1","","Nallagonda, Rajender; Karimov, Rashad R.","Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters","ACS Catalysis","2020","","","248","254","10.1021/acscatal.0c04474","","","1.54184","CuKα","","0.0351","0.0351","","","0.0868","0.0868","","","","","","1.099","","","","has coordinates","259953","2020-12-18","22:15:21",""
"4518328","9.2929","0.0004","11.4055","0.0005","12.1564","0.0005","104.13","0.001","93.917","0.001","90.897","0.001","1245.86","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 B0 N2 O4 S -","- C26 H32 B N O4 S -","- C52 H64 B2 N2 O8 S2 -","2","1","","Nallagonda, Rajender; Karimov, Rashad R.","Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters","ACS Catalysis","2020","","","248","254","10.1021/acscatal.0c04474","","","1.54178","CuKα","","0.0361","0.036","","","0.0934","0.0935","","","","","","1.045","","","","has coordinates","259954","2020-12-18","22:15:51",""
"4518329","22.834","0.002","14.4584","0.0012","6.9109","0.0007","90","","95.391","0.004","90","","2271.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N64 O8 -","- C72 H64 Cu4 N56 O8 -","- C72 H64 Cu4 N56 O8 -","1","0.125","","Zhu, Ke; Fan, Ruiqing; Wu, Jingkun; Wang, Bowen; Lu, Haoyang; Zheng, Xubin; Sun, Tiancheng; Gai, Shuang; Zhou, Xuesong; Yang, Yulin","MOF-on-MOF Membrane with Cascading Functionality for Capturing Dichromate Ions and <i>p</i>-Arsanilic Acid Turn-On Sensing.","ACS applied materials & interfaces","2020","12","52","58239","58251","10.1021/acsami.0c17875","","","0.71073","MoKα","","0.0999","0.0695","","","0.1879","0.207","","","","","","1.221","","","","has coordinates","260409","2021-01-04","03:03:16",""
"4518330","5.9005","0.0009","11.2726","0.0017","19.109","0.003","81.591","0.004","83.727","0.004","89.962","0.004","1249.7","0.3","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C20 H32 Cd Cl4 N2 -","- C20 H32 Cd Cl4 N2 -","- C40 H64 Cd2 Cl8 N4 -","2","2","","Li, Lin-Sui; Tan, Yu-Hui; Wei, Wen-Juan; Gao, Hong-Qiang; Tang, Yun-Zhi; Han, Xiao-Bo","Chiral Switchable Low-Dimensional Perovskite Ferroelectrics","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c19507","","","0.71073","MoKα","","0.0708","0.0563","","","0.1327","0.1467","","","","","","1.052","","","","has coordinates","260061","2020-12-21","22:13:01",""
"4518331","37.8061","0.0011","5.5428","0.0002","11.8831","0.0004","90","","98.825","0.003","90","","2460.64","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H32 Cd Cl4 N2 -","- C20 H32 Cd Cl4 N2 -","- C80 H128 Cd4 Cl16 N8 -","4","1","","Li, Lin-Sui; Tan, Yu-Hui; Wei, Wen-Juan; Gao, Hong-Qiang; Tang, Yun-Zhi; Han, Xiao-Bo","Chiral Switchable Low-Dimensional Perovskite Ferroelectrics","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c19507","","","0.71073","MoKα","","0.0549","0.0497","","","0.1308","0.1375","","","","","","1.048","","","","has coordinates","260062","2020-12-21","22:13:21",""
"4518332","13.793","0.002","18.478","0.003","20.113","0.003","90","","90","","90","","5126.1","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C248 H232 N8 O16 S8 -","8","1","","Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng","Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization","ACS Catalysis","2020","","","383","389","10.1021/acscatal.0c03853","","","0.71073","MoKα","","0.0563","0.0388","","","0.0964","0.1075","","","","","","1.032","","","","has coordinates","260063","2020-12-21","22:20:40",""
"4518333","9.5576","0.0015","10.4043","0.0018","14.441","0.003","90","","91.99","0.004","90","","1435.1","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N4 O8 Pt -","- C8 H16 N4 O8 Pt -","- C32 H64 N16 O32 Pt4 -","4","1","","Ling, Xiang; Jiang, Xiaomin; Li, Youyou; Han, Wenbo; Rodriguez, Megan; Xu, Ziwan; Lin, Wenbin","Sequential Treatment of Bioresponsive Nanoparticles Elicits Antiangiogenesis and Apoptosis and Synergizes with a CD40 Agonist for Antitumor Immunity","ACS Nano","2020","","","","","10.1021/acsnano.0c07132","","","0.41328","synchrotron","","0.0714","0.066","","","0.1543","0.1587","","","","","","1.031","","","","has coordinates","260065","2020-12-21","22:47:09",""
"4518334","13.6349","0.0006","13.8194","0.0005","20.9311","0.001","90","","96.357","0.005","90","","3919.7","0.3","293.44","0.1","293.44","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 F16 Ir N6 O P -","- C35 H26 F16 Ir N6 O P -","- C140 H104 F64 Ir4 N24 O4 P4 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0859","0.0527","","","0.1074","0.1287","","","","","","1.05","","","","has coordinates","260080","2020-12-22","22:15:00",""
"4518335","13.4456","0.0006","15.4907","0.0006","19.3081","0.0009","90","","108.084","0.005","90","","3822.9","0.3","293.73","0.1","293.73","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F16 Ir N6 P -","- C37 H20 F16 Ir N6 P -","- C148 H80 F64 Ir4 N24 P4 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0693","0.0445","","","0.0895","0.1043","","","","","","1.049","","","","has coordinates","260081","2020-12-22","22:15:24",""
"4518336","19.625","0.0006","17.8886","0.0005","17.9372","0.0006","90","","93.187","0.003","90","","6287.4","0.3","293.8","0.1","293.8","0.1","","","","","","","","5","C 1 2/n 1","-C 2yac","15","","","","- C32 H16 F10 Ir N5 -","- C32 H16 F10 Ir N5 -","- C256 H128 F80 Ir8 N40 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0618","0.0445","","","0.1167","0.1283","","","","","","1.086","","","","has coordinates","260082","2020-12-22","22:23:26",""
"4518337","10.5004","0.0006","9.9404","0.0005","16.6691","0.001","90","","106.602","0.006","90","","1667.36","0.17","293.75","0.1","293.75","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S2 -","- C18 H15 N O3 S2 -","- C72 H60 N4 O12 S8 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0711","0.046","","","0.0955","0.11","","","","","","1.056","","","","has coordinates","260083","2020-12-22","22:23:47",""
"4518338","20.2832","0.0011","20.7079","0.0009","18.8839","0.0011","90","","107.83","0.006","90","","7550.7","0.7","293.94","0.1","293.94","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F16 Ir N5 P -","- C38 H21 F16 Ir N5 P -","- C304 H168 F128 Ir8 N40 P8 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0812","0.0559","","","0.1163","0.1365","","","","","","1.05","","","","has coordinates","260084","2020-12-22","22:24:09",""
"4518339","5.221","0.0009","12.037","0.003","14.359","0.003","78.97","0.02","84.119","0.016","87.601","0.017","880.8","0.3","293.25","0.16","293.25","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.1777","0.0769","","","0.1572","0.2232","","","","","","1.055","","","","has coordinates","260085","2020-12-22","22:24:32",""
"4518340","20.3077","0.0007","20.7973","0.0008","18.9412","0.0007","90","","107.616","0.004","90","","7624.6","0.5","293.63","0.1","293.63","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F16 Ir N5 P -","- C38 H21 F16 Ir N5 P -","- C304 H168 F128 Ir8 N40 P8 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0576","0.0379","","","0.0589","0.0682","","","","","","1.001","","","","has coordinates,has disorder","260086","2020-12-22","22:25:00",""
"4518341","15.2075","0.0009","6.9155","0.0004","20.9784","0.0011","90","","110.663","0.004","90","","2064.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","1.54178","CuKα","","0.0577","0.0428","","","0.1106","0.1192","","","","","","1.033","","","","has coordinates,has disorder","260087","2020-12-22","22:25:23",""
"4518342","20.0712","0.0012","30.159","0.002","6.8657","0.0005","90","","90","","90","","4156","0.5","173","2","173","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C18 H15 B Br2 F3 K O2 -","- C18 H15 B Br2 F3 K O2 -","- C144 H120 B8 Br16 F24 K8 O16 -","8","2","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","1.54178","CuKα","","0.117","0.0775","","","0.1877","0.2111","","","","","","0.941","","","","has coordinates","260088","2020-12-22","22:25:45",""
"4518343","9.1022","0.0009","11.2466","0.0011","27.186","0.003","90","","90","","90","","2783","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B O5 -","- C31 H35 B O5 -","- C124 H140 B4 O20 -","4","1","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","0.71073","MoKα","","0.0472","0.0374","","","0.0907","0.0974","","","","","","1.033","","","","has coordinates","260089","2020-12-22","22:26:07",""
"4518344","9.9703","0.001","6.6561","0.0007","23.191","0.002","90","","92.294","0.001","90","","1537.8","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Au N19 O3 -","- C4 H12 Au N19 O3 -","- C16 H48 Au4 N76 O12 -","4","1","","Tappan, Bryce C.; Steiner III, Stephen A.; Dervishi, Enkeleda; Mueller, Alexander H.; Scott, Brian L.; Sheehan, Chris; Luther, Erik P.; Lichthardt, Joseph P.; Dirmyer, Matthew R.","Monolithic Nanoporous Gold Foams with Catalytic Activity for Chemical Vapor Deposition Growth of Carbon Nanostructures","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c17624","","","0.71073","MoKα","","0.0345","0.0255","","","0.0559","0.0596","","","","","","0.924","","","","has coordinates","260146","2020-12-24","22:13:40",""
"4518345","30.933","0.0007","17.5225","0.0006","24.1606","0.0007","90","","92.0449","0.001","90","","13087.3","0.7","113","2","113","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C472 H300 Cl72 F48 N16 O66 Rh8 S32 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0897","0.0604","","","0.1479","0.179","","","","","","1.071","","","","has coordinates,has disorder","260175","2020-12-28","22:19:25",""
"4518346","14.4646","0.0003","23.7613","0.0005","26.3686","0.0006","90","","90","","90","","9062.8","0.3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C392 H264 Cl24 F48 N16 O56 Rh8 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0988","0.0529","","","0.1018","0.1393","","","","","","1.169","","","","has coordinates","260176","2020-12-28","22:19:53",""
"4518347","10.4116","0.0004","15.2831","0.0003","16.3622","0.0005","71.608","0.0013","89.077","0.0014","85.189","0.003","2461.74","0.13","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","1","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0726","0.0496","","","0.1037","0.1146","","","","","","1.017","","","","has coordinates","260177","2020-12-28","22:20:10",""
"4518348","12.9466","0.0003","12.9466","0.0003","12.9466","0.0003","90","","90","","90","","2170.04","0.09","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H1.57 La2.95 Li3.73 O12 Ta1.1 Zr0.9 -","- H3 La2.9553 Li3.765 O12 Ta1.1022 Zr0.898 -","- H24 La23.6424 Li30.12 O96 Ta8.8176 Zr7.184 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0163","0.0161","","","0.0325","0.0326","","","","","","1.185","","","","has coordinates","260199","2020-12-29","22:15:01",""
"4518349","12.9667","0.0008","12.9667","0.0008","12.9667","0.0008","90","","90","","90","","2180.2","0.2","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.91 La2.95 Li3.29 O12 Ta1.1 Zr0.9 -","- H3.12 La2.9544 Li3.27 O12 Ta1.0976 Zr0.902 -","- H24.96 La23.6352 Li26.16 O96 Ta8.7808 Zr7.216 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0161","0.016","","","0.0329","0.0329","","","","","","1.195","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518350","12.9768","0.0003","12.9768","0.0003","12.9768","0.0003","90","","90","","90","","2185.26","0.09","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.26 La2.92 Li3.04 O12 Ta1.05 Zr0.95 -","- H2.4 La2.919 Li3.075 O12 Ta1.0496 Zr0.95 -","- H19.2 La23.352 Li24.6 O96 Ta8.3968 Zr7.6 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0158","0.0155","","","0.0318","0.0319","","","","","","1.314","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518351","12.9834","0.0002","12.9834","0.0002","12.9834","0.0002","90","","90","","90","","2188.59","0.06","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.59 La2.95 Li2.71 O12 Ta1.09 Zr0.91 -","- H2.82 La2.9469 Li2.685 O12 Ta1.0916 Zr0.908 -","- H22.56 La23.5752 Li21.48 O96 Ta8.7328 Zr7.264 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0152","0.015","","","0.0294","0.0295","","","","","","1.229","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518352","12.9536","0.0002","12.9536","0.0002","12.9536","0.0002","90","","90","","90","","2173.56","0.06","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H1.74 La2.93 Li3.59 O12 Ta0.95 Zr1.05 -","- H2.64 La2.925 Li3.57 O12 Ta0.952 Zr1.048 -","- H21.12 La23.4 Li28.56 O96 Ta7.616 Zr8.384 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.017","0.0163","","","0.0335","0.0337","","","","","","1.177","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518353","12.9839","0.0002","12.9839","0.0002","12.9839","0.0002","90","","90","","90","","2188.85","0.06","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.47 La2.95 Li2.86 O12 Ta0.99 Zr1.01 -","- H3.12 La2.949 Li2.82 O12 Ta0.992 Zr1.008 -","- H24.96 La23.592 Li22.56 O96 Ta7.936 Zr8.064 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0163","0.0151","","","0.0339","0.0342","","","","","","1.077","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518354","12.8768","0.0002","12.8768","0.0002","12.8768","0.0002","90","","90","","90","","2135.13","0.06","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La2.92 Li5.28 O12 Ta1.09 Zr0.91 -","- La2.919 Li5.25 O12 Ta1.09 Zr0.91 -","- La23.352 Li42 O96 Ta8.72 Zr7.28 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0203","0.0195","","","0.038","0.0382","","","","","","1.492","","","","has coordinates","260200","2020-12-29","22:17:27",""
"4518355","12.8951","0.0005","12.8951","0.0005","12.8951","0.0005","90","","90","","90","","2144.24","0.14","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- H0.95 La2.95 Li4.33 O12 Ta1.09 Zr0.91 -","- H3.24 La2.952 Li4.32 O12 Ta1.088 Zr0.912 -","- H25.92 La23.616 Li34.56 O96 Ta8.704 Zr7.296 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0224","0.0223","","","0.048","0.048","","","","","","1.446","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518356","12.8974","0.0009","12.8974","0.0009","12.8974","0.0009","90","","90","","90","","2145.4","0.3","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- H0.74 La2.95 Li4.54 O12 Ta1.12 Zr0.88 -","- H2.4 La2.955 Li4.56 O12 Ta1.12 Zr0.88 -","- H19.2 La23.64 Li36.48 O96 Ta8.96 Zr7.04 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0203","0.02","","","0.0401","0.0401","","","","","","1.455","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518357","12.8757","0.0009","12.8757","0.0009","12.8757","0.0009","90","","90","","90","","2134.6","0.3","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La2.89 Li5.34 O12 Ta0.94 Zr1.06 -","- La2.889 Li5.37 O12 Ta0.94 Zr1.06 -","- La23.112 Li42.96 O96 Ta7.52 Zr8.48 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0164","0.0157","","","0.0297","0.0298","","","","","","1.389","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518358","12.9041","0.0002","12.9041","0.0002","12.9041","0.0002","90","","90","","90","","2148.74","0.06","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- H0.9 La2.91 Li4.44 O12 Ta0.94 Zr1.06 -","- H2.16 La2.907 Li4.446 O12 Ta0.964 Zr1.036 -","- H17.28 La23.256 Li35.568 O96 Ta7.712 Zr8.288 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0182","0.0134","","","0.0243","0.0252","","","","","","1.307","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518359","12.8511","0.0002","12.8511","0.0002","12.8511","0.0002","90","","90","","90","","2122.37","0.06","2.5","0.5","2.5","0.5","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La3 Li6.072 O12 Ta1.12 Zr0.88 -","- La24 Li48.576 O96 Ta8.96 Zr7.04 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.0396","0.0225","","","0.0341","0.0375","","","","","","0.975","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518360","12.8592","0.0002","12.8592","0.0002","12.8592","0.0002","90","","90","","90","","2126.38","0.06","200","1","200","1","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La2.961 Li6.072 O12 Ta1.102 Zr0.898 -","- La23.688 Li48.576 O96 Ta8.816 Zr7.184 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.0657","0.0271","","","0.0328","0.0413","","","","","","0.974","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518361","12.8775","0.0002","12.8775","0.0002","12.8775","0.0002","90","","90","","90","","2135.48","0.06","300","1","300","1","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La3.003 Li6.0726 O12 Ta1.088 Zr0.912 -","- La24.024 Li48.5808 O96 Ta8.704 Zr7.296 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.0642","0.0259","","","0.0282","0.0328","","","","","","1.01","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518362","12.9051","0.0002","12.9051","0.0002","12.9051","0.0002","90","","90","","90","","2149.24","0.06","400","2","400","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La2.982 Li6.0732 O12 Ta1.092 Zr0.908 -","- La23.856 Li48.5856 O96 Ta8.736 Zr7.264 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.1174","0.0464","","","0.0479","0.0653","","","","","","1.352","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518363","20.0016","0.0005","18.5063","0.0005","18.5977","0.0005","90","","105.98","0.0018","90","","6618","0.3","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H23 Cl F12 Fe N6 O P2 -","- C29.5 H23 Cl F12 Fe N6 O P2 -","- C236 H184 Cl8 F96 Fe8 N48 O8 P16 -","8","1","","Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO","ACS Catalysis","2020","","","615","626","10.1021/acscatal.0c03798","","","1.5418","CuKα","","0.0856","0.0627","","0.1588","0.1451","0.1583","","","","","","1.0209","","","","has coordinates","260202","2020-12-29","22:30:51",""
"4518364","13.7127","0.0002","17.4292","0.0003","16.0993","0.0002","90","","107.938","0.001","90","","3660.72","0.1","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl2 F12.43 Fe N7 P2 -","- C31 H27 Cl2 F12.43 Fe N7 P2 -","- C124 H108 Cl8 F49.72 Fe4 N28 P8 -","4","1","","Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO","ACS Catalysis","2020","","","615","626","10.1021/acscatal.0c03798","","","1.54178","CuKα","","0.086","0.0661","","","0.1543","0.1662","","","","","","1.028","","","","has coordinates,has disorder","260203","2020-12-29","22:31:38",""
"4518365","41.565","0.003","9.6815","0.0007","29.249","0.0019","90","","122.86","0.002","90","","9886.9","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H45 O0.5 S12 -","- C49.5 H45 O0.5 S12 -","- C396 H360 O4 S96 -","8","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","1.34138","GaKα","","0.0658","0.043","","","0.0965","0.1092","","","","","","1.023","","","","has coordinates,has disorder","260233","2020-12-30","22:16:57",""
"4518366","20.5548","0.0008","20.5548","0.0008","9.9189","0.0005","90","","90","","120","","3629.3","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0805","0.0481","","","0.0944","0.11","","","","","","1.057","","","","has coordinates","260234","2020-12-30","22:17:26",""
"4518367","12.7443","0.0004","17.3301","0.0005","19.1446","0.0006","80.41","0.001","89.301","0.001","69.794","0.001","3907.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H64 N6 O12 S6 -","- C92 H64 N6 O12 S6 -","- C184 H128 N12 O24 S12 -","2","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1278","0.0704","","","0.165","0.2025","","","","","","1.039","","","","has coordinates,has disorder","260235","2020-12-30","22:17:50",""
"4518368","9.6434","0.0003","20.218","0.0009","22.2376","0.0009","90","","100.243","0.0011","90","","4266.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C192 H168 O24 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0808","0.0487","","","0.09","0.1055","","","","","","1.033","","","","has coordinates","260236","2020-12-30","22:18:19",""
"4518369","20.5511","0.0006","20.5511","0.0006","9.9216","0.0004","90","","90","","120","","3629","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0846","0.0495","","","0.101","0.1196","","","","","","1.023","","","","has coordinates","260237","2020-12-30","22:18:43",""
"4518370","41.7872","0.0014","9.629","0.0002","29.3045","0.001","90","","123.299","0.0009","90","","9855.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 O0.5 S12 -","- C50 H46 O0.5 S12 -","- C400 H368 O4 S96 -","8","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1177","0.0694","","","0.1646","0.1983","","","","","","1.02","","","","has coordinates,has disorder","260238","2020-12-30","22:19:13",""
"4518371","41.6731","0.0015","9.5991","0.0003","29.4126","0.0011","90","","123.292","0.001","90","","9834.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49.08 H43.62 N0.54 S12 -","- C49.086 H43.629 N0.543 S12 -","- C392.688 H349.032 N4.344 S96 -","8","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1148","0.0547","","","0.1012","0.1295","","","","","","1.045","","","","has coordinates,has disorder","260239","2020-12-30","22:19:47",""
"4518372","41.4562","0.0013","9.6589","0.0003","29.1173","0.0011","90","","122.659","0.0011","90","","9815.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C97 H85 Cl3 S24 -","- C97 H85 Cl3 S24 -","- C388 H340 Cl12 S96 -","4","0.5","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1107","0.0598","","","0.105","0.1287","","","","","","1.047","","","","has coordinates,has disorder","260240","2020-12-30","22:20:19",""
"4518373","9.686","0.002","26.229","0.004","15.738","0.003","90","","104.355","0.008","90","","3873.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 O2 S6 -","- C44 H34 O2 S6 -","- C176 H136 O8 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1584","0.0834","","","0.1907","0.2403","","","","","","1.029","","","","has coordinates","260241","2020-12-30","22:20:45",""
"4518374","20.4084","0.0017","20.4084","0.0017","9.0747","0.0009","90","","90","","120","","3273.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.043","0.0361","","","0.0937","0.0996","","","","","","1.06","","","","has coordinates","260242","2020-12-30","22:21:10",""
"4518375","9.6819","0.0004","26.2628","0.0015","15.7609","0.0008","90","","104.385","0.002","90","","3881.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 O2 S6 -","- C44 H34 O2 S6 -","- C176 H136 O8 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.171","0.0723","","","0.1287","0.1675","","","","","","1.022","","","","has coordinates","260243","2020-12-30","22:21:34",""
"4518376","20.5592","0.0006","20.5592","0.0006","9.9136","0.0003","90","","90","","120","","3628.9","0.19","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0883","0.0564","","","0.0978","0.112","","","","","","1.085","","","","has coordinates","260244","2020-12-30","22:22:00",""
"4518377","20.4163","0.0004","20.4163","0.0004","9.0788","0.0002","90","","90","","120","","3277.28","0.12","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0291","0.0283","","","0.0741","0.0747","","","","","","1.105","","","","has coordinates","260245","2020-12-30","22:22:25",""
"4518378","9.5642","0.0002","26.037","0.0005","15.5937","0.0003","90","","103.398","0.001","90","","3777.5","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 O2 S6 -","- C44 H34 O2 S6 -","- C176 H136 O8 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1111","0.0575","","","0.0998","0.122","","","","","","1.014","","","","has coordinates","260246","2020-12-30","22:22:57",""
"4518379","20.414","0.0006","20.414","0.0006","9.0652","0.0003","90","","90","","120","","3271.63","0.17","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0593","0.0411","","","0.0882","0.0973","","","","","","1.069","","","","has coordinates","260247","2020-12-30","22:23:21",""
"4518380","9.6415","0.0003","20.2244","0.0007","22.2455","0.0009","90","","100.25","0.0013","90","","4268.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C192 H168 O24 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0991","0.0518","","","0.0906","0.112","","","","","","1.045","","","","has coordinates","260248","2020-12-30","22:23:46",""
"4518381","12.6744","0.0003","17.3428","0.0006","19.0852","0.0005","80.99","0.001","89.856","0.001","69.506","0.001","3874.9","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H48 N6 O12 S6 -","- C78 H48 N6 O12 S6 -","- C156 H96 N12 O24 S12 -","2","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1294","0.0673","","","0.1294","0.1595","","","","","","1.012","","","","has coordinates","260249","2020-12-30","22:24:12",""
"4518382","7.0128","0.0016","14.53","0.003","9.644","0.002","90","","93.91","0.004","90","","980.4","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 Cu N11 O3 -","- C5 H3 Cu N11 O3 -","- C20 H12 Cu4 N44 O12 -","4","1","","Yang, Guoli; Li, Xi; Wang, Meng; Xia, Zhengqiang; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Improved Detonation Performance Via Coordination Substitution: Synthesis and Characterization of Two New Green Energetic Coordination Polymers","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c18271","","","0.71073","MoKα","","0.0644","0.0464","","","0.1109","0.1209","","","","","","1.03","","","","has coordinates","260250","2020-12-30","22:24:34",""
"4518383","6.0214","0.0019","11.118","0.004","15.378","0.005","90","","99.74","0.007","90","","1014.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 Cu N10 O -","- C5 H3 Cu N10 O -","- C20 H12 Cu4 N40 O4 -","4","1","","Yang, Guoli; Li, Xi; Wang, Meng; Xia, Zhengqiang; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Improved Detonation Performance Via Coordination Substitution: Synthesis and Characterization of Two New Green Energetic Coordination Polymers","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c18271","","","0.71073","MoKα","","0.1426","0.0831","","","0.1688","0.1846","","","","","","1.012","","","","has coordinates","260251","2020-12-30","22:24:58",""
"4518384","16.577","0.004","15.944","0.004","15.596","0.004","90","","99.187","0.007","90","","4069.2","1.8","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","Keinan182b (Ofer)","","","- C44 H54 Cl2 N O3 P Ru -","- C44 H54 Cl2 N O3 P Ru -","- C176 H216 Cl8 N4 O12 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel","Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands","ACS Catalysis","2020","","","703","709","10.1021/acscatal.0c04909","","","0.71073","MoKα","","0.1332","0.0723","","","0.1571","0.1896","","","","","","0.971","","","","has coordinates,has disorder","260296","2020-12-31","22:24:09",""
"4518385","12.6005","0.0015","18.784","0.002","21.757","0.002","90","","101.619","0.003","90","","5044.1","0.9","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Keinan168b (Ofer Reany)","","","- C59 H60 Cl2 N O3 P Ru -","- C59 H60 Cl2 N O3 P Ru -","- C236 H240 Cl8 N4 O12 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel","Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands","ACS Catalysis","2020","","","703","709","10.1021/acscatal.0c04909","","","0.71073","MoKα","","0.1967","0.0741","","","0.1111","0.1468","","","","","","0.962","","","","has coordinates","260297","2020-12-31","22:24:41",""
"4518386","4.559","0.003","18.958","0.005","13.781","0.003","90","","98.94","0.02","90","","1176.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 I6 N2 O2 Pb2 -","- C8 H18 I6 N2 O2 Pb2 -","- C16 H36 I12 N4 O4 Pb4 -","2","0.5","","Dučinskas, Algirdas; Kim, Gee Yeong; Moia, Davide; Senocrate, Alessandro; Wang, Ya-Ru; Hope, Michael A.; Mishra, Aditya; Kubicki, Dominik J.; Siczek, Miłosz; Bury, Wojciech; Schneeberger, Thomas; Emsley, Lyndon; Milić, Jovana V.; Maier, Joachim; Grätzel, Michael","Unravelling the Behavior of Dion‒Jacobson Layered Hybrid Perovskites in Humid Environments","ACS Energy Letters","2020","","","337","344","10.1021/acsenergylett.0c02344","","","0.71073","MoKα","","0.0145","0.0133","","","0.0295","0.0297","","","","","","1.175","","","","has coordinates","260298","2020-12-31","22:40:18",""
"4518387","4.534","0.004","6.307","0.006","10.575","0.009","102.06","0.03","101.1","0.03","95.6","0.03","287.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","1","0.5","","Dučinskas, Algirdas; Kim, Gee Yeong; Moia, Davide; Senocrate, Alessandro; Wang, Ya-Ru; Hope, Michael A.; Mishra, Aditya; Kubicki, Dominik J.; Siczek, Miłosz; Bury, Wojciech; Schneeberger, Thomas; Emsley, Lyndon; Milić, Jovana V.; Maier, Joachim; Grätzel, Michael","Unravelling the Behavior of Dion‒Jacobson Layered Hybrid Perovskites in Humid Environments","ACS Energy Letters","2020","","","337","344","10.1021/acsenergylett.0c02344","","","0.71073","MoKα","","0.0643","0.0619","","","0.158","0.1645","","","","","","1.118","","","","has coordinates","260300","2020-12-31","22:40:37",""
"4518388","23.5776","0.0009","45.6755","0.0017","25.9902","0.0009","90","","90","","90","","27989.3","1.8","107","2","106.99","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C240 H200 Cu23 P8 Se16 -","- C240 H200 Cu23 P8 Se16 -","- C960 H800 Cu92 P32 Se64 -","4","0.5","","Huang, Ren-Wu; Yin, Jun; Dong, Chunwei; Maity, Partha; Hedhili, Mohamed Nejib; Nematulloev, Saidkhodzha; Alamer, Badriah; Ghosh, Atanu; Mohammed, Omar F.; Bakr, Osman M.","[Cu23(PhSe)16(Ph3P)8(H)6]·BF4: Atomic-Level Insights into Cuboidal Polyhydrido Copper Nanoclusters and Their Quasi-simple Cubic Self-Assembly","ACS Materials Letters","2020","","","90","99","10.1021/acsmaterialslett.0c00513","","x-ray","1.54184","CuKα","","0.1362","0.1269","","","0.2741","0.279","","","","","","1.129","","","","has coordinates,has disorder","260301","2020-12-31","22:50:16",""
"4518389","18.3703","0.0004","8.78618","0.00017","27.0121","0.0005","90","","107.129","0.002","90","","4166.49","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H64 N4 O3 -","- C44 H64 N4 O3 -","- C176 H256 N16 O12 -","4","2","","Cheng, Qiuhong; Duan, Hongdong; Hao, Aiyou; Xing, Pengyao","Photoregulated ""Breathing"" Vesicle with Inversed Supramolecular Chirality.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c20211","","x-ray","1.54184","CuKα","","0.1092","0.0896","","","0.2769","0.2985","","","","","","1.048","","","","has coordinates","260343","2021-01-01","22:13:04",""
"4518396","38.361","0.003","15.8528","0.0012","17.6645","0.0012","90","","100.831","0.004","90","","10550.9","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H172 N4 O6 Si2 Zn -","- C110 H172 N4 O6 Si2 Zn -","- C440 H688 N16 O24 Si8 Zn4 -","4","0.5","","Choi, Sunghan; Kim, Chul Hoon; Baeg, Jin-Ook; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Collisional Electron Transfer Route between Homogeneous Porphyrin Dye and Catalytic TiO2/Re(I) Particles for CO2 Reduction","ACS Applied Energy Materials","2020","3","12","11581","11596","10.1021/acsaem.0c01300","","","0.71073","MoKα","","0.1247","0.0767","","","0.1811","0.2268","","","","","","1.066","","","","has coordinates","260394","2021-01-03","18:58:08",""
"4518397","26.454","0.015","26.454","0.015","26.454","0.015","90","","90","","90","","18513","18","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C72 H112 Cu12 Mo11 O130 P V -","- C72 H84 Cu12 Mo11.0004 O130 P V0.9996 -","- C288 H336 Cu48 Mo44.0016 O520 P4 V3.9984 -","4","0.0208333","","Du, Ze-Yu; Yu, Yan-Zhao; Hong, Ya-Lin; Li, Ning-Fang; Han, Ye-Min; Cao, Jia-Peng; Sun, Qi; Mei, Hua; Xu, Yan","Polyoxometalate-Based Metal-Organic Frameworks with Unique High-Nuclearity Water Clusters.","ACS applied materials & interfaces","2020","12","51","57174","57181","10.1021/acsami.0c18970","","","0.71073","MoKα","","0.0865","0.0602","","","0.1635","0.184","","","","","","1.069","","","","has coordinates,has disorder","260395","2021-01-03","19:48:48",""
"4518398","26.3605","0.0013","26.3605","0.0013","26.3605","0.0013","90","","90","","90","","18317.3","1.6","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C72 H151 Cu12 Mo10 O149 P V2 -","- C72 H122 Cu12 Mo9.9996 O149 P V2.0004 -","- C288 H488.002 Cu48 Mo39.9984 O596 P4 V8.0016 -","4","0.0208333","","Du, Ze-Yu; Yu, Yan-Zhao; Hong, Ya-Lin; Li, Ning-Fang; Han, Ye-Min; Cao, Jia-Peng; Sun, Qi; Mei, Hua; Xu, Yan","Polyoxometalate-Based Metal-Organic Frameworks with Unique High-Nuclearity Water Clusters.","ACS applied materials & interfaces","2020","12","51","57174","57181","10.1021/acsami.0c18970","","","0.71073","MoKα","","0.0774","0.0609","","","0.1868","0.206","","","","","","1.145","","","","has coordinates,has disorder","260396","2021-01-03","19:49:42",""
"4518399","8.5133","0.0002","11.0899","0.0003","14.6365","0.0004","100.002","0.001","92.027","0.001","101.991","0.001","1327.49","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N6 O8 -","- C27 H28 N6 O8 -","- C54 H56 N12 O16 -","2","1","","Dey, Ananta; Ramlal, Vishwakarma Ravikumar; Sankar, Selvasundarasekar Sam; Mahapatra, Tufan Singha; Suresh, Eringathodi; Kundu, Subrata; Mandal, Amal Kumar; Das, Amitava","Crystalline Free-Standing Two-Dimensional Zwitterionic Organic Nanosheets for Efficient Conduction of Lithium Ions.","ACS applied materials & interfaces","2020","12","52","58122","58131","10.1021/acsami.0c17683","","","0.71073","MoKα","","0.0658","0.0617","","","0.1715","0.176","","","","","","1.033","","","","has coordinates,has disorder","260397","2021-01-03","19:50:45",""
"7058957","24.542","0.014","7.437","0.004","27.588","0.012","90","","109.69","0.04","90","","4741","4","100","","100","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C29 H19 B F N3 O2 S2 -","- C29 H19 B F N3 O2 S2 -","- C232 H152 B8 F8 N24 O16 S16 -","8","1","","Kubo, Yuji; Shimada, Takuma; Maeda, Kentaro; Hashimoto, Yuta","Thieno[1,3,2]oxazaborinine-containing aza-BODIPYs with near infrared absorption bands: synthesis, photophysical properties, and device applications","New Journal of Chemistry","2020","44","1","29","37","10.1039/C9NJ04612G","","","0.71075","MoKα","","0.0795","0.0577","","","0.1099","0.1195","","","","","","1.087","","","","has coordinates","257692","2020-10-21","18:00:00",""
"7059058","11.511","0.005","12.353","0.005","22.155","0.005","78.665","0.005","75.648","0.005","68.751","0.005","2824.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H138 Cl18 N12 Ru4 -","- C115 H80 Cl18 N12 Ru4 -","- C115 H80 Cl18 N12 Ru4 -","1","0.5","","Khan, Tanveer A.; Bhar, Kishalay; Thirumoorthi, Ramalingam; Roy, Tapta Kanchan; Sharma, Anuj K.","Design, synthesis, characterization and evaluation of the anticancer activity of water-soluble half-sandwich ruthenium(ii) arene halido complexes","New Journal of Chemistry","2020","44","1","239","257","10.1039/C9NJ03663F","","","0.71069","MoKα","","0.0778","0.0604","","","0.1814","0.2239","","","","","","1.144","","","","has coordinates,has disorder","257685","2020-10-21","18:00:00",""
"7059059","3.9752","0.0003","26.0148","0.0019","6.282","0.0005","90","","97.357","0.003","90","","644.3","0.09","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C9 H2 N5 -","- C9 H2 N5 -","- C18 H4 N10 -","2","0.5","","Nimax, Patrick R.; Zoller, Florian; Blockhaus, Tobias; Küblböck, Teresa; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","An aminotetracyanocyclopentadienide system: light-induced formation of a thermally stable cyclopentadienyl radical","New Journal of Chemistry","2020","44","1","72","78","10.1039/C9NJ04354C","","","0.71073","MoKα","","0.0942","0.0826","","","0.2233","0.2319","","","","","","1.051","","","","has coordinates","257691","2020-10-21","18:00:00",""
"7059060","6.7736","0.0003","8.6454","0.0004","10.235","0.0004","67.666","0.001","72.808","0.002","83.739","0.002","529.63","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H6 N6 -","- C9 H6 N6 -","- C18 H12 N12 -","2","1","","Nimax, Patrick R.; Zoller, Florian; Blockhaus, Tobias; Küblböck, Teresa; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","An aminotetracyanocyclopentadienide system: light-induced formation of a thermally stable cyclopentadienyl radical","New Journal of Chemistry","2020","44","1","72","78","10.1039/C9NJ04354C","","","0.71073","MoKα","","0.0685","0.0549","","","0.1354","0.1425","","","","","","1.019","","","","has coordinates","257691","2020-10-21","18:00:00",""
"7059065","14.586","0.0004","14.6224","0.0004","7.9425","0.0003","90","","90","","90","","1693.99","0.09","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N3 Se -","- C18 H19 N3 Se -","- C72 H76 N12 Se4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.083","0.049","","","0.0693","0.0848","","","","","","1.0276","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059066","11.1018","0.0003","7.9784","0.0002","16.7114","0.0005","90","","92.665","0.003","90","","1478.6","0.07","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 Se -","- C16 H15 N3 Se -","- C64 H60 N12 Se4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","1.54184","CuKα","","0.0763","0.0617","","","0.2073","0.2785","","","","","","1.1782","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059067","11.3268","0.0007","14.1364","0.0008","15.1166","0.0008","90","","105.48","0.006","90","","2332.7","0.2","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Br2 N3 O S Zn -","- C19 H23 Br2 N3 O S Zn -","- C76 H92 Br8 N12 O4 S4 Zn4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.1345","0.0586","","","0.0912","0.1278","","","","","","0.9042","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059068","11.2044","0.0003","13.7372","0.0003","15.1908","0.0004","90","","104.509","0.003","90","","2263.56","0.1","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl2 N3 O Se Zn -","- C19 H23 Cl2 N3 O Se Zn -","- C76 H92 Cl8 N12 O4 Se4 Zn4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.0839","0.0454","","","0.0742","0.0935","","","","","","1.0377","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059069","7.5364","0.0005","12.0785","0.0011","13.2048","0.0012","70.474","0.008","77.488","0.007","76.996","0.007","1090.66","0.17","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br4 N6 Se2 Zn2 -","- C38 H36 Br4 N6 Se2 Zn2 -","- C38 H36 Br4 N6 Se2 Zn2 -","1","0.5","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.0836","0.0467","","","0.085","0.1039","","","","","","1.0106","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059070","5.5355","0.0003","11.3824","0.001","13.4351","0.001","107.316","0.007","94.243","0.006","99.6","0.006","789.92","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Cl S -","- C20 H13 Cl S -","- C40 H26 Cl2 S2 -","2","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","x-ray","1.54184","CuKα","","0.0445","0.037","","","0.1055","0.1133","","","","","","1.0425","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059071","15.913","0.0006","7.5636","0.0002","27.8228","0.0009","90","","90","","90","","3348.74","0.19","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C144 H152 N24 S8 -","8","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.1003","0.0567","","","0.1242","0.1514","","","","","","1.0531","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059072","11.1565","0.0004","13.8114","0.0005","15.0162","0.0005","90","","104.487","0.003","90","","2240.23","0.14","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl2 N3 O S Zn -","- C19 H23 Cl2 N3 O S Zn -","- C76 H92 Cl8 N12 O4 S4 Zn4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.0833","0.0468","","","0.0846","0.1062","","","","","","1.0452","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059073","10.0434","0.0003","13.9747","0.0004","15.7202","0.0005","90","","102.367","0.003","90","","2155.19","0.12","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Br4 N6 Se2 Zn2 -","- C36 H38 Br4 N6 Se2 Zn2 -","- C72 H76 Br8 N12 Se4 Zn4 -","2","0.5","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.1067","0.0539","","","0.1071","0.1318","","","","","","1.0394","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059074","11.0135","0.001","13.7499","0.0012","13.7117","0.0012","90","","102.969","0.002","90","","2023.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl2 Co N3 O3 -","- C19 H19 Cl2 Co N3 O3 -","- C76 H76 Cl8 Co4 N12 O12 -","4","1","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0549","0.0371","","","0.0861","0.0952","","","","","","1.071","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059075","11.4021","0.0003","8.2603","0.0002","17.7971","0.0005","90","","90","","90","","1676.22","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H14 Co N4 O2 S2 -","- C14 H14 Co N4 O2 S2 -","- C56 H56 Co4 N16 O8 S8 -","4","0.5","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0314","0.0242","","","0.0579","0.0617","","","","","","1.041","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059076","14.0162","0.0006","8.1198","0.0004","14.9569","0.0007","90","","103.838","0.001","90","","1652.82","0.13","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H14 N4 Ni O2 S2 -","- C14 H14 N4 Ni O2 S2 -","- C56 H56 N16 Ni4 O8 S8 -","4","1","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0362","0.0281","","","0.0574","0.0608","","","","","","1.118","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059077","11.345","0.003","13.87","0.004","12.108","0.003","90","","102.824","0.007","90","","1857.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl2 Mn N3 O2 -","- C19 H17 Cl2 Mn N3 O2 -","- C76 H68 Cl8 Mn4 N12 O8 -","4","1","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0458","0.0324","","","0.0737","0.0796","","","","","","1.051","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059078","12.3289","0.0004","9.6117","0.0004","14.9979","0.0006","90","","97.083","0.003","90","","1763.71","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.0453","0.0319","","","0.0699","0.0768","","","","","","1.054","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059079","15.8788","0.0011","7.6223","0.0006","18.3192","0.0011","90","","104.464","0.007","90","","2147","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N3 O6 Zn -","- C23 H23 N3 O6 Zn -","- C92 H92 N12 O24 Zn4 -","4","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.1271","0.0583","","","0.1044","0.1323","","","","","","0.978","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059080","19.156","0.003","7.8984","0.0007","14.1312","0.0013","90","","108.031","0.012","90","","2033.1","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O5 Zn -","- C23 H21 N3 O5 Zn -","- C92 H84 N12 O20 Zn4 -","4","0.5","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.0683","0.0444","","","0.0911","0.1051","","","","","","1.06","","","","has coordinates,has disorder","257748","2020-10-21","18:00:00",""
"7059081","7.8724","0.0002","11.3651","0.0005","14.9498","0.0005","68.924","0.004","84.619","0.003","71.212","0.004","1181.22","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N4 O5 Zn -","- C25 H24 N4 O5 Zn -","- C50 H48 N8 O10 Zn2 -","2","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.0513","0.0373","","","0.0811","0.0904","","","","","","1.058","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059082","7.9175","0.0005","11.4683","0.0006","15.3238","0.0009","71.09","0.005","85.805","0.005","70.921","0.005","1243.17","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N3 O6 Zn -","- C26 H29 N3 O6 Zn -","- C52 H58 N6 O12 Zn2 -","2","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0811","0.0818","","","","","","1.063","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059083","7.8788","0.0005","11.2689","0.0006","15.3272","0.001","105.313","0.005","98.626","0.005","110.008","0.005","1189.14","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N3 O6 Zn -","- C25 H27 N3 O6 Zn -","- C50 H54 N6 O12 Zn2 -","2","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","1.54184","CuKα","","0.0319","0.0307","","","0.0825","0.0836","","","","","","1.07","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059084","21.989","0.002","11.1499","0.0009","19.1729","0.0017","90","","114.252","0.005","90","","4285.9","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 Cd N2 O8 -","- C18 H9 Cd N2 O8 -","- C144 H72 Cd8 N16 O64 -","8","1","","Mondal, Tuhina; Haldar, Dhrubaa; Ghosh, Arnab; Ghorai, Uttam Kumar; Saha, Shyamal K.","A MOF functionalized with CdTe quantum dots as an efficient white light emitting phosphor material for applications in displays","New Journal of Chemistry","2020","44","1","55","63","10.1039/C9NJ04304G","","","0.71073","MoKα","","0.0875","0.0801","","","0.2015","0.2057","","","","","","0.971","","","","has coordinates,has disorder","257687","2020-10-21","18:00:00",""
"7059138","17.8355","0.0006","9.506","0.0003","20.6821","0.0007","90","","99.911","0.001","90","","3454.2","0.2","150","2","150.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Lu N2 O2 Si2 -","- C31 H51 Lu N2 O2 Si2 -","- C124 H204 Lu4 N8 O8 Si8 -","4","1","","Li, Wenqiang; Jiang, Xinxin; So, Yat-Ming; He, Gaohong; Pan, Yu","Lutetium and yttrium complexes supported by an anilido-oxazoline ligand for polymerization of 1,3-conjugated dienes and ε-caprolactone","New Journal of Chemistry","2020","44","1","121","128","10.1039/C9NJ05081G","","","0.71073","MoKα","","0.0298","0.0239","","","0.055","0.0571","","","","","","1.034","","","","has coordinates,has disorder","257688","2020-10-21","18:00:00",""
"7059139","11.2601","0.0008","17.6609","0.0011","19.521","0.0013","90","","102.384","0.002","90","","3791.7","0.4","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Lu N2 O2 Si2 -","- C35 H59 Lu N2 O2 Si2 -","- C140 H236 Lu4 N8 O8 Si8 -","4","1","","Li, Wenqiang; Jiang, Xinxin; So, Yat-Ming; He, Gaohong; Pan, Yu","Lutetium and yttrium complexes supported by an anilido-oxazoline ligand for polymerization of 1,3-conjugated dienes and ε-caprolactone","New Journal of Chemistry","2020","44","1","121","128","10.1039/C9NJ05081G","","","0.71073","MoKα","","0.0253","0.0216","","","0.0495","0.052","","","","","","1.101","","","","has coordinates,has disorder","257688","2020-10-21","18:00:00",""
"7059140","17.6314","0.0001","16.2484","0.0001","17.9278","0.0002","90","","90.926","0.001","90","","5135.32","0.07","130","0.2","130","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C57 H46 B Cu F4 N4 O3 P2 S -","- C57 H46 B Cu F4 N4 O3 P2 S -","- C228 H184 B4 Cu4 F16 N16 O12 P8 S4 -","4","1","","Rozhkov, Anton V.; Eliseeva, Svetlana N.; Baykov, Sergey V.; Zelenkov, Lev E.; Goriachiy, Dmitry O.; Taydakov, Ilya V.","Copper(i) ionic complexes based on imidazo[4,5-f][1,10]phenanthrolin diimine chelating ligands: crystal structures, and photo- and electroluminescence properties","New Journal of Chemistry","2020","44","1","110","120","10.1039/C9NJ05109K","","x-ray","1.54184","CuKα","","0.0604","0.0567","","","0.1561","0.1594","","","","","","1.037","","","","has coordinates","257690","2020-10-21","18:00:00",""
"7059141","13.1619","0.0003","14.2651","0.0002","14.994","0.0003","100.11","0.001","103.415","0.002","111.011","0.002","2450.37","0.1","99.9","0.5","99.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C55 H39 B Br Cu F4 N4 O2 P2 -","- C55 H39 B Br Cu F4 N4 O2 P2 -","- C110 H78 B2 Br2 Cu2 F8 N8 O4 P4 -","2","1","","Rozhkov, Anton V.; Eliseeva, Svetlana N.; Baykov, Sergey V.; Zelenkov, Lev E.; Goriachiy, Dmitry O.; Taydakov, Ilya V.","Copper(i) ionic complexes based on imidazo[4,5-f][1,10]phenanthrolin diimine chelating ligands: crystal structures, and photo- and electroluminescence properties","New Journal of Chemistry","2020","44","1","110","120","10.1039/C9NJ05109K","","x-ray","1.54184","CuKα","","0.0523","0.0455","","","0.1213","0.1255","","","","","","1.079","","","","has coordinates","257690","2020-10-21","18:00:00",""
"7059142","17.4377","0.0005","15.4971","0.0003","20.199","0.0005","90","","94.279","0.002","90","","5443.2","0.2","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H41 B Cl3 Cu F4 N4 O2 P2 -","- C56 H41 B Cl3 Cu F4 N4 O2 P2 -","- C224 H164 B4 Cl12 Cu4 F16 N16 O8 P8 -","4","1","","Rozhkov, Anton V.; Eliseeva, Svetlana N.; Baykov, Sergey V.; Zelenkov, Lev E.; Goriachiy, Dmitry O.; Taydakov, Ilya V.","Copper(i) ionic complexes based on imidazo[4,5-f][1,10]phenanthrolin diimine chelating ligands: crystal structures, and photo- and electroluminescence properties","New Journal of Chemistry","2020","44","1","110","120","10.1039/C9NJ05109K","","","0.71073","MoKα","","0.0762","0.059","","","0.1456","0.1616","","","","","","1.028","","","","has coordinates","257690","2020-10-21","18:00:00",""
"7059143","12.39","0.003","13.824","0.003","7.927","0.0016","90","","105.47","0.03","90","","1308.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C24 H40 Br16 N8 Pb4 -","4","1","","Jung, Mi-Hee","Broadband white light emission from one-dimensional zigzag edge-sharing perovskite","New Journal of Chemistry","2020","44","1","171","180","10.1039/C9NJ04758A","","","0.7","synchrotron","","0.0975","0.0938","","","0.2789","0.2819","","","","","","1.293","","","","has coordinates","257686","2020-10-21","18:00:00",""
"7059144","13.428","0.003","7.661","0.0015","23.338","0.005","90","","90","","90","","2400.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C48 H80 Cl32 N16 Pb8 -","8","1","","Jung, Mi-Hee","Broadband white light emission from one-dimensional zigzag edge-sharing perovskite","New Journal of Chemistry","2020","44","1","171","180","10.1039/C9NJ04758A","","","0.7","synchrotron","","0.0503","0.0495","","","0.1503","0.1508","","","","","","1.13","","","","has coordinates","257686","2020-10-21","18:00:00",""
"7059145","11.634","0.0011","16.2488","0.0015","14.2081","0.0013","90","","99.716","0.004","90","","2647.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 Ir2 S6 -","- C20 H32 B2 Ir2 S6 -","- C80 H128 B8 Ir8 S24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","x-ray","0.71073","MoKα","","0.032","0.0261","","","0.0577","0.0603","","","","","","1.067","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059146","11.9187","0.0007","16.6296","0.0011","14.5809","0.001","90","","100.146","0.002","90","","2844.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 B2 Ir2 Se6 -","- C20 H30 B2 Ir2 Se6 -","- C80 H120 B8 Ir8 Se24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0854","0.0634","","","0.157","0.1722","","","","","","1.068","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059147","11.9361","0.0004","16.3554","0.0006","13.9055","0.0005","90","","91.737","0.004","90","","2713.38","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B2 Ir2 S6 -","- C20 H30 B2 Ir2 S6 -","- C80 H120 B8 Ir8 S24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.1147","0.0561","","","0.1343","0.1642","","","","","","1.043","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7059148","9.1581","0.0004","18.9842","0.0009","14.3431","0.0006","90","","90","","90","","2493.68","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H33 B1.83 Co2 S6.17 -","- C20 H31 B1.83 Co2 S6.172 -","- C80 H124 B7.32 Co8 S24.688 -","4","0.5","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0416","0.037","","","0.0896","0.0934","","","","","","1.086","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7059149","11.6036","0.0015","16.221","0.002","14.2437","0.0019","90","","99.797","0.005","90","","2641.9","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 Rh2 S6 -","- C20 H32 B2 Rh2 S6 -","- C80 H128 B8 Rh8 S24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","x-ray","0.71073","MoKα","","0.0506","0.0428","","","0.0982","0.1031","","","","","","1.091","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059150","10.2132","0.0014","19.541","0.002","15.563","0.002","90","","96.078","0.006","90","","3088.5","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 B2 Rh2 Se7 -","- C23 H39 B2 Rh2 Se7 -","- C92 H156 B8 Rh8 Se28 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","x-ray","0.71073","MoKα","","0.1506","0.1093","","","0.2871","0.3257","","","","","","1.05","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059151","18.7466","0.0013","18.7466","0.0013","8.339","0.0006","90","","90","","90","","2930.6","0.4","150","2","150","2","","","","","","","","6","P -4","P -4","81","","","","- C20.5 H33 B2 Cl Ir2 S7 -","- C20.5 H33 B2 Cl Ir2 S7 -","- C82 H132 B8 Cl4 Ir8 S28 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0743","0.0579","","","0.1344","0.145","","","","","","1.044","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7059152","9.857","0.003","8.174","0.002","17.195","0.005","90","","98.077","0.018","90","","1371.7","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F3 N2 O2 -","- C15 H7 F3 N2 O2 -","- C60 H28 F12 N8 O8 -","4","1","","Günsel, Armağan; Bilgiçli, Ahmet T.; Tüzün, Burak; Pişkin, Hasan; Yarasir, M. Nilüfer; Gündüz, Bayram","Optoelectronic parameters of peripherally tetra-substituted copper(ii) phthalocyanines and fabrication of a photoconductive diode for various conditions","New Journal of Chemistry","2020","44","2","369","380","10.1039/C9NJ05287A","","","0.71073","MoKα","","0.1052","0.0535","","","0.1274","0.1608","","","","","","1.031","","","","has coordinates","257750","2020-10-21","18:00:00",""
"7059157","7.09549","0.00018","10.8347","0.0003","12.9313","0.0003","90","","89.883","0.002","90","","994.12","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cs N9 O3 -","- C4 H6 Cs N9 O3 -","- C16 H24 Cs4 N36 O12 -","4","1","","Wang, Tingwei; Zhou, Jinyang; Zhang, Qi; Zhang, Lin; Zhu, Shunguan; Li, Yan","Novel 3D cesium(i)-based EMOFs of nitrogen-rich triazole derivatives as “green” orange-light pyrotechnics","New Journal of Chemistry","2020","44","4","1278","1284","10.1039/C9NJ03577J","","","0.71073","MoKα","","0.06","0.0336","","","0.0606","0.0693","","","","","","1.026","","","","has coordinates","257729","2020-10-21","18:00:00",""
"7059158","29.369","0.002","29.369","0.002","50.089","0.004","90","","90","","90","","43204","5","120","2","120","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","Trimer Trip","","- C232 H458 F6 N36 Na12 O217 S12 -","- C232 H224 F6 N36 O70 S12 -","- C928 H896 F24 N144 O280 S48 -","4","0.5","","Ndendjio, Sandra Zebaze; Liu, Wenjin; Yvanez, Nicolas; Meng, Zihui; Zavalij, Peter Y.; Isaacs, Lyle","Triptycene walled glycoluril trimer: synthesis and recognition properties","New Journal of Chemistry","2020","44","2","338","345","10.1039/C9NJ05336K","","","0.71073","MoKα","","0.099","0.0536","","","0.1044","0.1158","","","","","","1.286","","","","has coordinates,has disorder","257747","2020-10-21","18:00:00",""
"7059159","23.3546","0.0016","24.5506","0.0017","24.1341","0.0016","90","","105.843","0.0014","90","","13312.1","1.6","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H118 Co2 Gd4 N10 Na2 O36 P6 -","- C92 H118 Co2 Gd4 N10 Na2 O36 P6 -","- C368 H472 Co8 Gd16 N40 Na8 O144 P24 -","4","1","","Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri","Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family","New Journal of Chemistry","2020","44","2","513","521","10.1039/C9NJ05071J","","","0.71073","MoKα","","0.0954","0.0807","","","0.1989","0.2043","","","","","","1.053","","","","has coordinates,has disorder","257753","2020-10-21","18:00:00",""
"7059160","14.8697","0.001","15.9498","0.0011","30.095","0.003","100.792","0.003","96.032","0.003","105.193","0.002","6676.2","0.9","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C92 H112 Br6 Co2 Gd4 N10 Na2 O36 P6 -","- C92 H112 Br6 Co2 Gd4 N10 Na2 O36 P6 -","- C184 H224 Br12 Co4 Gd8 N20 Na4 O72 P12 -","2","1","","Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri","Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family","New Journal of Chemistry","2020","44","2","513","521","10.1039/C9NJ05071J","","","0.71073","MoKα","","0.0414","0.0389","","","0.0985","0.0998","","","","","","1.045","","","","has coordinates","257753","2020-10-21","18:00:00",""
"7059161","15.3491","0.001","16.5332","0.0011","31.308","0.002","75.688","0.002","89.7027","0.0015","72.824","0.002","7335.3","0.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H112 Co2 Gd4 N10 Na2 O35 P6 -","- C110 H112 Co2 Gd4 N10 Na2 O35 P6 -","- C220 H224 Co4 Gd8 N20 Na4 O70 P12 -","2","1","","Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri","Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family","New Journal of Chemistry","2020","44","2","513","521","10.1039/C9NJ05071J","","","0.71073","MoKα","","0.0601","0.0524","","","0.1432","0.1489","","","","","","1.049","","","","has coordinates,has disorder","257753","2020-10-21","18:00:00",""
"7059162","20.0833","0.0016","30.421","0.002","21.9915","0.0018","90","","104.035","0.0015","90","","13034.7","1.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H147 Cl4 Dy4 N30 O40 -","- C107 H125 Cl4 Dy4 N30 O40 -","- C428 H500 Cl16 Dy16 N120 O160 -","4","1","","Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui","Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism","New Journal of Chemistry","2020","44","3","994","1000","10.1039/C9NJ05192A","","","0.71073","MoKα","","0.0916","0.0617","","","0.1533","0.1762","","","","","","1.046","","","","has coordinates","257901","2020-10-21","18:00:00",""
"7059163","16.2426","0.0018","16.2562","0.0017","22.592","0.002","95.755","0.002","101.601","0.002","113.605","0.002","5244.7","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H186 Dy10 N50 Na2 O82 -","- C138 H172 Dy10 N50 Na2 O82 -","- C138 H172 Dy10 N50 Na2 O82 -","1","0.5","","Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui","Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism","New Journal of Chemistry","2020","44","3","994","1000","10.1039/C9NJ05192A","","","0.71073","MoKα","","0.0949","0.0624","","","0.1716","0.2005","","","","","","1.033","","","","has coordinates","257901","2020-10-21","18:00:00",""
"7059164","16.7394","0.0008","25.7371","0.0012","32.8927","0.0016","90","","101.805","0.0009","90","","13871.2","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H144 Dy6 N18 O48 -","- C125 H135 Dy6 N18 O48 -","- C500 H540 Dy24 N72 O192 -","4","1","","Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui","Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism","New Journal of Chemistry","2020","44","3","994","1000","10.1039/C9NJ05192A","","","0.71073","MoKα","","0.06","0.0416","","","0.1003","0.1129","","","","","","1.037","","","","has coordinates","257901","2020-10-21","18:00:00",""
"7059165","9.6743","0.0019","10.044","0.002","20.289","0.004","79.47","0.03","76.24","0.03","64.55","0.03","1721.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 Br6 N10 Ni3 P2 -","- C62 H68 Br6 N10 Ni3 P2 -","- C62 H68 Br6 N10 Ni3 P2 -","1","0.5","","Zubkevich, S. V.; Tuskaev, V. A.; Gagieva, S. Ch.; Pavlov, A. A.; Khrustalev, V. N.; Polyakova, O. V.; Zarubin, D. N.; Kurmaev, D. A.; Kolosov, N. A.; Bulychev, B. M.","Catalytic systems based on nickel(ii) complexes with bis(3,5-dimethylpyrazol-1-yl)methane ‒ impact of PPh3 on the formation of precatalysts and selective dimerization of ethylene","New Journal of Chemistry","2020","44","3","981","993","10.1039/C9NJ05704H","","","0.9699","synchrotron","","0.141","0.1139","","","0.2548","0.2933","","","","","","0.808","","","","has coordinates","257902","2020-10-21","18:00:00",""
"7059166","14.695","0.003","10.158","0.002","35.371","0.007","90","","91.65","0.03","90","","5277.7","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 Br4 N8 Ni2 O1.5 P -","- C46 H59 Br4 N8 Ni2 O1.5 P -","- C184 H236 Br16 N32 Ni8 O6 P4 -","4","1","","Zubkevich, S. V.; Tuskaev, V. A.; Gagieva, S. Ch.; Pavlov, A. A.; Khrustalev, V. N.; Polyakova, O. V.; Zarubin, D. N.; Kurmaev, D. A.; Kolosov, N. A.; Bulychev, B. M.","Catalytic systems based on nickel(ii) complexes with bis(3,5-dimethylpyrazol-1-yl)methane ‒ impact of PPh3 on the formation of precatalysts and selective dimerization of ethylene","New Journal of Chemistry","2020","44","3","981","993","10.1039/C9NJ05704H","","","0.80246","synchrotron","","0.1097","0.0766","","","0.1746","0.1971","","","","","","1.02","","","","has coordinates","257902","2020-10-21","18:00:00",""
"7059167","12.6956","0.0011","38.111","0.003","13.6534","0.0012","90","","97.351","0.002","90","","6551.8","1","298.15","","298.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65 H50 B F24 Ni O3 P -","- C65 H50 B F24 Ni O3 P -","- C260 H200 B4 F96 Ni4 O12 P4 -","4","2","","Behzadi, Shabnam; Chi, Mingjun; Pang, Wenmin; Liang, Tao; Tan, Chen","Camphor-based phosphine-carbonyl ligands for Ni catalyzed ethylene oligomerization","New Journal of Chemistry","2020","44","3","1076","1081","10.1039/C9NJ05408A","","","0.71073","MoKα","","0.1957","0.0775","","","0.1486","0.1862","","","","","","0.987","","","","has coordinates,has disorder","257903","2020-10-21","18:00:00",""
"7059168","13.4601","0.0005","14.6763","0.0005","28.7051","0.0009","90","","90","","90","","5670.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita255-2","","","- C25.5 H28 Br2 N O12.5 -","- C25.5 H28 Br2 N O12.5 -","- C204 H224 Br16 N8 O100 -","8","2","","Fujita, Hikaru; Dou, Jinghuai; Matsumoto, Nobuyuki; Wu, Zhiyuan; Lindsey, Jonathan S.","Enzymatically triggered chromogenic cross-linking agents under physiological conditions","New Journal of Chemistry","2020","44","3","719","743","10.1039/C9NJ04126E","","","0.71073","MoKα","","0.038","0.0297","","","0.0604","0.0627","","","","","","1.024","","","","has coordinates","257899","2020-10-21","18:00:00",""
"7059169","13.3401","0.0008","14.3756","0.0009","28.9203","0.0019","90","","90","","90","","5546.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita255-3","","","- C26 H30 Br N O12.5 -","- C26 H30 Br N O12.5 -","- C208 H240 Br8 N8 O100 -","8","2","","Fujita, Hikaru; Dou, Jinghuai; Matsumoto, Nobuyuki; Wu, Zhiyuan; Lindsey, Jonathan S.","Enzymatically triggered chromogenic cross-linking agents under physiological conditions","New Journal of Chemistry","2020","44","3","719","743","10.1039/C9NJ04126E","","","0.71073","MoKα","","0.0423","0.0324","","","0.0684","0.0712","","","","","","1.029","","","","has coordinates,has disorder","257899","2020-10-21","18:00:00",""
"7059170","17.2424","0.0011","10.3111","0.0007","16.5976","0.0011","90","","97.57","0.002","90","","2925.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","S156","","","- C26 H35 Co N9 Na O5 -","- C26 H35 Co N9 Na O5 -","- C104 H140 Co4 N36 Na4 O20 -","4","1","","Roy, Sourav; Halder, Soumi; Dey, Arka; Harms, Klaus; Ray, Partha Pratim; Chattopadhyay, Shouvik","Representation of a photosensitive Schottky barrier diode made with hetero-dinuclear cobalt(iii)/sodium building blocks","New Journal of Chemistry","2020","44","4","1285","1293","10.1039/C9NJ04542B","","","0.71073","MoKα","","0.0278","0.0256","","","0.0658","0.0672","","","","","","1.052","","","","has coordinates","257726","2020-10-21","18:00:00",""
"7059171","12.4913","0.0005","13.6943","0.0005","17.6253","0.0007","74.404","0.002","83.684","0.002","67.309","0.002","2679.13","0.19","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H46 Cl3 N3 O P2 Ru S -","- C62 H46 Cl3 N3 O P2 Ru S -","- C124 H92 Cl6 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.0531","0.0398","","","0.1012","0.1098","","","","","","1.028","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059172","9.8421","0.0007","11.9671","0.0008","24.6276","0.0018","77.378","0.003","78.715","0.003","66.813","0.003","2582.4","0.3","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C62.5 H46 Cl3 N3 O P2 Ru S -","- C62.5 H46 Cl3 N3 O P2 Ru S -","- C125 H92 Cl6 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.1291","0.0817","","","0.1502","0.1766","","","","","","1.062","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059173","10.6241","0.0005","13.8517","0.0008","17.2984","0.0008","96.501","0.004","104.809","0.004","96.619","0.004","2417.6","0.2","150.91","","150.91","","","","","","","","","7","P -1","-P 1","2","","","","- C61 H45 N3 O P2 Ru S -","- C61 H45 N3 O P2 Ru S -","- C122 H90 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","x-ray","0.71073","MoKα","","0.0794","0.06","","","0.1417","0.1555","","","","","","1.021","","","","has coordinates","257730","2020-10-21","18:00:00",""
"7059174","9.6836","0.0012","12.2483","0.0015","21.905","0.003","86.801","0.003","86.645","0.003","67.402","0.003","2393","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H43 N3 O P2 Ru S -","- C61 H43 N3 O P2 Ru S -","- C122 H86 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.1249","0.0958","","","0.213","0.2278","","","","","","1.131","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059175","11.2036","0.0009","23.844","0.0019","37.483","0.003","90","","90","","90","","10013.2","1.4","273","2","273.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H45 Cl2 N3 O P2 Ru S -","- C59 H43 N3 O P2 Ru S -","- C472 H344 N24 O8 P16 Ru8 S8 -","8","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.0938","0.0447","","","0.0978","0.1318","","","","","","1.117","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059176","5.1066","0.0012","11.5568","0.0013","12.7664","0.0013","100.531","0.009","94.646","0.014","100.547","0.015","723.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F3 N2 O2 -","- C15 H17 F3 N2 O2 -","- C30 H34 F6 N4 O4 -","2","1","","Il’in, Mikhail V.; Lesnikova, Liana A.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","A one-pot route to N-acyl ureas: a formal four-component hydrolytic reaction involving aminonitrones and isocyanide dibromides","New Journal of Chemistry","2020","44","4","1253","1262","10.1039/C9NJ05445F","","","0.71073","MoKα","","0.0619","0.0464","","","0.1157","0.1328","","","","","","1.064","","","","has coordinates","257728","2020-10-21","18:00:00",""
"7059177","5.3129","0.0005","9.3886","0.0007","12.8335","0.0008","86.747","0.005","88.785","0.007","75.123","0.008","617.67","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","Il’in, Mikhail V.; Lesnikova, Liana A.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","A one-pot route to N-acyl ureas: a formal four-component hydrolytic reaction involving aminonitrones and isocyanide dibromides","New Journal of Chemistry","2020","44","4","1253","1262","10.1039/C9NJ05445F","","","0.71073","MoKα","","0.058","0.0419","","","0.0923","0.1036","","","","","","1.027","","","","has coordinates","257728","2020-10-21","18:00:00",""
"7059178","19.5549","0.0014","4.5007","0.0002","19.9119","0.0009","90","","119.005","0.0014","90","","1532.66","0.15","120","2","120","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C5 H6 I3 Pb1.3 S4 -","- C4 H6 I3 Pb1.3 S4 -","- C16 H24 I12 Pb5.2 S16 -","4","0.5","","Yin, Wen-Yu; Weng, Yi-Gang; Jiang, Miao; Yu, Shuai-Kang; Zhu, Qin-Yu; Dai, Jie","(TMT‒TTF)[Pb2.6/3□0.4/3I2]3: a TTF-intercalated two-dimensional hybrid lead iodide: crystal structure and properties","New Journal of Chemistry","2020","44","4","1263","1268","10.1039/C9NJ04316K","","","0.71073","MoKα","","0.0436","0.0305","","","0.0544","0.0575","","","","","","1.08","","","","has coordinates,has disorder","257732","2020-10-21","18:00:00",""
"7059179","22.8941","0.0017","11.221","0.0007","16.7025","0.0011","90","","127.37","0.003","90","","3410","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N3 O8 Zn2 -","- C11 H5 N3 O8 Zn2 -","- C88 H40 N24 O64 Zn16 -","8","1","","Saha, Debraj; Gayen, Saikat; Maity, Tanmoy; Frontera, Antonio; Ortega-Castro, Joaquín; Leus, Karen; Wang, Guangbo; Van Der Voort, Pascal; Brandão, Paula; Koner, Subratanath","Combined experimental and computational studies on preferential CO2 adsorption over a zinc-based porous framework solid","New Journal of Chemistry","2020","44","5","1806","1816","10.1039/C9NJ04154K","","","0.71073","MoKα","","0.0895","0.0632","","","0.1849","0.1962","","","","","","1.08","","","","has coordinates","257710","2020-10-21","18:00:00",""
"7059180","17.807","0.0007","22.4931","0.001","17.8019","0.0008","90","","94.419","0.001","90","","7109.1","0.5","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H66 Gd2 N4 O16 -","- C78 H66 Gd2 N4 O16 -","- C312 H264 Gd8 N16 O64 -","4","0.5","","Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia","Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes","New Journal of Chemistry","2020","44","5","2083","2090","10.1039/C9NJ05971G","","","0.71073","MoKα","","0.072","0.0408","","","0.0943","0.1072","","","","","","1.054","","","","has coordinates,has disorder","257709","2020-10-21","18:00:00",""
"7059181","17.842","0.0014","22.805","0.0017","17.8611","0.0015","90","","95.19","0.003","90","","7237.7","1","278","2","278","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H66 Cl0 Dy2 N4 O16 -","- C78 H66 Dy2 N4 O16 -","- C312 H264 Dy8 N16 O64 -","4","0.5","","Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia","Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes","New Journal of Chemistry","2020","44","5","2083","2090","10.1039/C9NJ05971G","","","0.71073","MoKα","","0.1225","0.0643","","","0.1222","0.1439","","","","","","1.079","","","","has coordinates","257709","2020-10-21","18:00:00",""
"7059182","17.8664","0.0014","22.8472","0.0014","17.8442","0.0012","90","","95.066","0.002","90","","7255.5","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H66 N4 O16 Tb2 -","- C78 H66 N4 O16 Tb2 -","- C312 H264 N16 O64 Tb8 -","4","0.5","","Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia","Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes","New Journal of Chemistry","2020","44","5","2083","2090","10.1039/C9NJ05971G","","","0.71073","MoKα","","0.0988","0.0502","","","0.1134","0.1267","","","","","","1.007","","","","has coordinates","257709","2020-10-21","18:00:00",""
"7059183","17.9272","0.0005","13.9769","0.0004","43.7984","0.0008","90","","90","","90","","10974.4","0.5","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H28 N2 O2 S -","- C35 H28 N2 O2 S -","- C560 H448 N32 O32 S16 -","16","2","","Andrés Castán, José María; Abad Galán, Laura; Li, Shi; Dalinot, Clément; Simón Marqués, Pablo; Allain, Magali; Risko, Chad; Monnereau, Cyrille; Maury, Olivier; Blanchard, Philippe; Cabanetos, Clément","Nitration of benzothioxanthene: towards a new class of dyes with versatile photophysical properties","New Journal of Chemistry","2020","44","3","900","905","10.1039/C9NJ05804D","","","1.54184","CuKα","","0.0945","0.0578","","","0.139","0.1627","","","","","","1.023","","","","has coordinates","257905","2020-10-21","18:00:00",""
"7059184","13.4104","0.0006","13.4995","0.0006","14.4145","0.0007","90","","102.687","0.002","90","","2545.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Mn N4 O2 P2 -","- C20 H30 Cl2 Mn N4 O2 P2 -","- C80 H120 Cl8 Mn4 N16 O8 P8 -","4","0.5","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca; Antoniutti, Stefano","Tetrahedral photoluminescent manganese(ii) halide complexes with 1,3-dimethyl-2-phenyl-1,3-diazaphospholidine-2-oxide as a ligand","New Journal of Chemistry","2020","44","2","571","579","10.1039/C9NJ05083C","","","0.71073","MoKα","","0.0377","0.0281","","","0.0694","0.0733","","","","","","1.033","","","","has coordinates","257751","2020-10-21","18:00:00",""
"7059185","13.4668","0.0006","13.7458","0.0006","14.4342","0.0006","90","","101.192","0.002","90","","2621.1","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Br2 Mn N4 O2 P2 -","- C20 H30 Br2 Mn N4 O2 P2 -","- C80 H120 Br8 Mn4 N16 O8 P8 -","4","0.5","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca; Antoniutti, Stefano","Tetrahedral photoluminescent manganese(ii) halide complexes with 1,3-dimethyl-2-phenyl-1,3-diazaphospholidine-2-oxide as a ligand","New Journal of Chemistry","2020","44","2","571","579","10.1039/C9NJ05083C","","","0.71073","MoKα","","0.0304","0.0235","","","0.051","0.0531","","","","","","1.047","","","","has coordinates","257751","2020-10-21","18:00:00",""
"7059186","5.25","0.006","15.787","0.019","20.19","0.02","90","","90","","90","","1673","3","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O S -","- C25 H16 O S -","- C100 H64 O4 S4 -","4","1","","Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.","Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors","New Journal of Chemistry","2020","44","3","845","851","10.1039/C9NJ04851K","","","0.71073","MoKα","","0.1696","0.0807","","","0.1747","0.237","","","","","","1.03","","","","has coordinates","257906","2020-10-21","18:00:00",""
"7059187","5.2279","0.001","19.702","0.004","18.914","0.004","90","","96.686","0.006","90","","1934.9","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.","Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors","New Journal of Chemistry","2020","44","3","845","851","10.1039/C9NJ04851K","","","0.71073","MoKα","","0.2334","0.0608","","","0.0794","0.1075","","","","","","0.814","","","","has coordinates","257906","2020-10-21","18:00:00",""
"7059188","8.901","0.002","9.67","0.002","11.362","0.003","66.024","0.007","85.75","0.008","82.761","0.007","886.2","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 O S -","- C26 H18 O S -","- C52 H36 O2 S2 -","2","1","","Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.","Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors","New Journal of Chemistry","2020","44","3","845","851","10.1039/C9NJ04851K","","","0.71073","MoKα","","0.2805","0.0824","","","0.1561","0.2332","","","","","","0.931","","","","has coordinates","257906","2020-10-21","18:00:00",""
"7059189","8.3364","0.0003","8.9922","0.0002","9.0984","0.0001","82.895","0.002","73.539","0.002","84.883","0.002","648.01","0.03","160","0.1","160","0.1","","","","","","","chemical","6","P -1","-P 1","2","A2-OMe","A2-OMe and DIB","","- C26 H18 F4 I2 N4 O4 -","- C26 H18 F4 I2 N4 O4 -","- C26 H18 F4 I2 N4 O4 -","1","0.5","","Huang, Yaodong; Zhang, Xiaojie; Cui, Wei; Wang, Xin; Li, Bin; Zhang, Yongxin; Yang, Junjiao","Novel liquid crystalline organogelators based on terephthalic acid and terephthalaldehyde derivatives: properties and promotion through the formation of halogen bonding","New Journal of Chemistry","2020","44","2","614","625","10.1039/C9NJ05811G","","x-ray","1.54184","CuKα","","0.0281","0.0248","","","0.0629","0.0637","","","","","","1.064","","","","has coordinates","257752","2020-10-21","18:00:00",""
"7059190","12.558","0.002","13.064","0.002","15.875","0.003","90","","102.849","0.003","90","","2539.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 F4 Ir N6 -","- C28 H19 F4 Ir N6 -","- C112 H76 F16 Ir4 N24 -","4","1","","Lu, Jun-Jian; Liang, Xiao; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan","Efficient blue, green and red iridium(iii) complexes with noncovalently-linked pyrazole/pyrazolide rings for organic light-emitting diodes","New Journal of Chemistry","2020","44","2","530","536","10.1039/C9NJ05218F","","","0.71073","MoKα","","0.0606","0.0347","","","0.0621","0.0706","","","","","","0.976","","","","has coordinates,has disorder","257749","2020-10-21","18:00:00",""
"7059191","5.7924","0.0004","13.4728","0.0013","17.3811","0.0018","82.781","0.008","85.788","0.007","89.002","0.007","1342","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Azilsartan-Piperazine-ethanol","'2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:ethanol(1:0.5:1) '","","- C29 H31 N5 O6 -","- C29 H31 N5 O6 -","- C58 H62 N10 O12 -","2","1","","Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan","Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability","New Journal of Chemistry","2020","44","3","852","860","10.1039/C9NJ05042F","","","0.71073","MoKα","","0.0958","0.057","","","0.1404","0.1672","","","","","","1.029","","","","has coordinates","257900","2020-10-21","18:00:00",""
"7059192","11.3028","0.0014","14.3949","0.0018","16.962","0.002","90","","97.634","0.002","90","","2735.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Azilsartan-Piperazine-water","'2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:water(1:1:1) '","","- C29 H32 N6 O6 -","- C29 H32 N6 O6 -","- C116 H128 N24 O24 -","4","1","","Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan","Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability","New Journal of Chemistry","2020","44","3","852","860","10.1039/C9NJ05042F","","","0.71073","MoKα","","0.1253","0.0637","","","0.1648","0.2017","","","","","","1.025","","","","has coordinates","257900","2020-10-21","18:00:00",""
"7059193","5.7804","0.0004","13.3882","0.001","17.3847","0.0012","82.75","0.006","85.718","0.005","88.04","0.006","1330.49","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Azilsartan-Piperazine-methanol","'2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:methanol(1:0.5:1) '","","- C28 H29 N5 O6 -","- C28 H29 N5 O6 -","- C56 H58 N10 O12 -","2","1","","Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan","Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability","New Journal of Chemistry","2020","44","3","852","860","10.1039/C9NJ05042F","","","0.71073","MoKα","","0.0706","0.0506","","","0.1325","0.1481","","","","","","1.044","","","","has coordinates","257900","2020-10-21","18:00:00",""
"7059194","8.5508","0.0007","20.552","0.0017","20.7183","0.0018","67.182","0.008","82.78","0.007","78.538","0.007","3284.3","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H55 N6 O5 -","- C86 H55 N6 O5 -","- C172 H110 N12 O10 -","2","1","","Kathirvelan, Devarajan; Mayakrishnan, Sivakalai; Uma Maheswari, Narayanan; Biswas, Chinmoy; Raavi, Sai Santosh Kumar; Panda, Tarun K.","A simple D‒π‒A system of phenanthroimidazole-π-fluorenone for highly efficient non-doped bipolar AIE luminogens: synthesis, and molecular optical, thermal and electrochemical properties","New Journal of Chemistry","2020","44","5","1785","1794","10.1039/C9NJ05226G","","x-ray","0.71073","MoKα","","0.2669","0.0988","","","0.2211","0.3292","","","","","","1.0537","","","","has coordinates","257712","2020-10-21","18:00:00",""
"7059195","7.4612","0.0009","11.906","0.0014","11.1849","0.0013","90","","99.077","0.007","90","","981.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N2 O4 V -","- C9 H9 N2 O4 V -","- C36 H36 N8 O16 V4 -","4","1","","Borah, Rakhimoni; Deori, Naranarayan; Brahma, Sanfaori","An efficient CO2 fixation reaction with epoxides catalysed by in situ formed blue vanadium catalyst from dioxovanadium(+5) complex: moisture enhanced and atmospheric oxygen retarded catalytic activity","New Journal of Chemistry","2020","44","6","2547","2554","10.1039/C9NJ04606B","","","0.71073","MoKα","","0.0406","0.0364","","","0.1051","0.1088","","","","","","1.086","","","","has coordinates","257761","2020-10-21","18:00:00",""
"7059196","7.351","0.0004","11.8967","0.0007","11.1856","0.0006","90","","99.047","0.002","90","","966.04","0.09","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N2 O4 V -","- C9 H9 N2 O4 V -","- C36 H36 N8 O16 V4 -","4","1","","Borah, Rakhimoni; Deori, Naranarayan; Brahma, Sanfaori","An efficient CO2 fixation reaction with epoxides catalysed by in situ formed blue vanadium catalyst from dioxovanadium(+5) complex: moisture enhanced and atmospheric oxygen retarded catalytic activity","New Journal of Chemistry","2020","44","6","2547","2554","10.1039/C9NJ04606B","","","0.71073","MoKα","","0.0568","0.0449","","","0.0956","0.1039","","","","","","1.116","","","","has coordinates","257761","2020-10-21","18:00:00",""
"7059197","21.475","0.005","6.751","0.005","25.546","0.005","90","","111.423","0.005","90","","3448","3","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 Cu2 N4 O9.5 -","- C13 H19 Cu2 N4 O9.5 -","- C104 H152 Cu16 N32 O76 -","8","1","","Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O.","Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations","New Journal of Chemistry","2020","44","6","2597","2608","10.1039/C9NJ05584C","","","1.5418","CuKα","","0.0471","0.0379","","","0.0917","0.0987","","","","","","1.082","","","","has coordinates","257757","2020-10-21","18:00:00",""
"7059198","6.9426","0.0005","10.4944","0.0007","11.9846","0.0008","76.242","0.005","88.366","0.006","73.715","0.006","813.42","0.1","270.05","0.1","270.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cu2 N4 O8 -","- C13 H18 Cu2 N4 O8 -","- C26 H36 Cu4 N8 O16 -","2","1","","Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O.","Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations","New Journal of Chemistry","2020","44","6","2597","2608","10.1039/C9NJ05584C","","","0.71073","MoKα","","0.0523","0.0362","","","0.0761","0.0866","","","","","","1.053","","","","has coordinates","257757","2020-10-21","18:00:00",""
"7059199","6.6746","0.0001","17.3302","0.0002","16.495","0.0002","90","","92.198","0.001","90","","1906.61","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cu2 N4 O11 -","- C12 H22 Cu2 N4 O11 -","- C48 H88 Cu8 N16 O44 -","4","1","","Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O.","Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations","New Journal of Chemistry","2020","44","6","2597","2608","10.1039/C9NJ05584C","","x-ray","0.71073","MoKα","","0.0216","0.0186","","","0.0542","0.0548","","","","","","1.077","","","","has coordinates","257757","2020-10-21","18:00:00",""
"7059200","10.0981","0.0009","14.1193","0.0012","14.3189","0.0012","103.946","0.002","93.838","0.001","102.07","0.002","1922.7","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","complex1","","","- C38 H30 Cl F3 Mn2 N4 O10 Se -","- C38 H30 Cl F3 Mn2 N4 O10 Se -","- C76 H60 Cl2 F6 Mn4 N8 O20 Se2 -","2","1","","Zhang, Shao-Liang; Li, Shan-Shan; Zeng, Su-Yuan; Shi, Yang; Wang, Da-Qi; Chen, Lei","Slow magnetic relaxation in O‒Se‒O bridged manganese(iii) Schiff base complexes","New Journal of Chemistry","2020","44","6","2408","2413","10.1039/C9NJ05837K","","","0.71073","MoKα","","0.0638","0.0413","","","0.1129","0.1257","","","","","","0.799","","","","has coordinates,has disorder","257754","2020-10-21","18:00:00",""
"7059201","12.3806","0.0011","15.725","0.0013","25.915","0.002","90","","98.002","0.002","90","","4996.1","0.7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex2","","","- C51 H38 F6 Mn2 N4 O10 Se2 -","- C51 H38 F6 Mn2 N4 O10 Se2 -","- C204 H152 F24 Mn8 N16 O40 Se8 -","4","1","","Zhang, Shao-Liang; Li, Shan-Shan; Zeng, Su-Yuan; Shi, Yang; Wang, Da-Qi; Chen, Lei","Slow magnetic relaxation in O‒Se‒O bridged manganese(iii) Schiff base complexes","New Journal of Chemistry","2020","44","6","2408","2413","10.1039/C9NJ05837K","","","0.71073","MoKα","","0.1746","0.0892","","","0.2136","0.2411","","","","","","0.979","","","","has coordinates","257754","2020-10-21","18:00:00",""
"7059202","15.089","0.0014","16.3063","0.0015","19.797","0.0018","87.765","0.003","72.711","0.002","85.128","0.003","4633.6","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Dy3 N12 O41 Zn3 -","- C48 H55 Dy3 N12 O41 Zn3 -","- C96 H110 Dy6 N24 O82 Zn6 -","2","1","","Fan, Xiao-Tian; Yang, Hua; Li, Da-Cheng; Tian, Hai-Quan; Cao, Fan; Dou, Jian-Min","Three new heterometallic ZnII‒LnIII complexes with a windmill-like framework and field-induced SMM behavior","New Journal of Chemistry","2020","44","6","2555","2560","10.1039/C9NJ05796J","","","0.71073","MoKα","","0.1768","0.0688","","","0.1789","0.2243","","","","","","0.684","","","","has coordinates","257758","2020-10-21","18:00:00",""
"7059203","15.0276","0.0013","16.2205","0.0014","19.6624","0.0017","87.72","0.002","72.575","0.001","85.635","0.002","4558.9","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 N12 O41 Tb3 Zn3 -","- C48 H55 N12 O41 Tb3 Zn3 -","- C96 H110 N24 O82 Tb6 Zn6 -","2","1","","Fan, Xiao-Tian; Yang, Hua; Li, Da-Cheng; Tian, Hai-Quan; Cao, Fan; Dou, Jian-Min","Three new heterometallic ZnII‒LnIII complexes with a windmill-like framework and field-induced SMM behavior","New Journal of Chemistry","2020","44","6","2555","2560","10.1039/C9NJ05796J","","","0.71073","MoKα","","0.0557","0.0372","","","0.1156","0.1418","","","","","","0.533","","","","has coordinates","257758","2020-10-21","18:00:00",""
"7059204","14.9778","0.0012","16.24","0.0014","19.6798","0.0017","87.674","0.002","72.89","0.001","85.783","0.002","4561.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Er3 N12 O41 Zn3 -","- C48 H55 Er3 N12 O41 Zn3 -","- C96 H110 Er6 N24 O82 Zn6 -","2","1","","Fan, Xiao-Tian; Yang, Hua; Li, Da-Cheng; Tian, Hai-Quan; Cao, Fan; Dou, Jian-Min","Three new heterometallic ZnII‒LnIII complexes with a windmill-like framework and field-induced SMM behavior","New Journal of Chemistry","2020","44","6","2555","2560","10.1039/C9NJ05796J","","","0.71073","MoKα","","0.0576","0.0361","","","0.1105","0.1388","","","","","","0.511","","","","has coordinates","257758","2020-10-21","18:00:00",""
"7059205","10.6315","0.0008","9.9746","0.0005","16.8984","0.0013","90","","90.076","0.006","90","","1792","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 Co N4 -","- C16 H20 Cl2 Co N4 -","- C64 H80 Cl8 Co4 N16 -","4","1","","Chkirate, Karim; Karrouchi, Khalid; Dege, Necmi; Kheira Sebbar, Nada; Ejjoummany, Abdelaziz; Radi, Smaail; Adarsh, N. N.; Talbaoui, Ahmed; Ferbinteanu, Marilena; Essassi, El Mokhtar; Garcia, Yann","Co(ii) and Zn(ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity","New Journal of Chemistry","2020","44","6","2210","2221","10.1039/C9NJ05913J","","","0.71073","MoKα","","0.0889","0.0397","","","0.0712","0.0808","","","","","","0.874","","","","has coordinates","257763","2020-10-21","18:00:00",""
"7059206","21.6975","0.0012","8.4668","0.0003","40.556","0.002","90","","102.999","0.004","90","","7259.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl2 N4 Zn -","- C16 H20 Cl2 N4 Zn -","- C256 H320 Cl32 N64 Zn16 -","16","2","","Chkirate, Karim; Karrouchi, Khalid; Dege, Necmi; Kheira Sebbar, Nada; Ejjoummany, Abdelaziz; Radi, Smaail; Adarsh, N. N.; Talbaoui, Ahmed; Ferbinteanu, Marilena; Essassi, El Mokhtar; Garcia, Yann","Co(ii) and Zn(ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity","New Journal of Chemistry","2020","44","6","2210","2221","10.1039/C9NJ05913J","","","0.71073","MoKα","","0.0773","0.0454","","","0.1072","0.1187","","","","","","0.895","","","","has coordinates","257763","2020-10-21","18:00:00",""
"7059207","8.797","0.0015","11.744","0.002","19.603","0.004","77.18","0.005","82.835","0.006","74.748","0.005","1900.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Cl4 Co2 N8 O -","- C32 H42 Cl4 Co2 N8 O -","- C64 H84 Cl8 Co4 N16 O2 -","2","1","","Chkirate, Karim; Karrouchi, Khalid; Dege, Necmi; Kheira Sebbar, Nada; Ejjoummany, Abdelaziz; Radi, Smaail; Adarsh, N. N.; Talbaoui, Ahmed; Ferbinteanu, Marilena; Essassi, El Mokhtar; Garcia, Yann","Co(ii) and Zn(ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity","New Journal of Chemistry","2020","44","6","2210","2221","10.1039/C9NJ05913J","","","0.71075","MoKα","","0.2007","0.123","","","0.2922","0.3389","","","","","","1.051","","","","has coordinates","257763","2020-10-21","18:00:00",""
"7059208","9.0672","0.0004","13.1124","0.0007","14.5279","0.0007","92.323","0.004","106.84","0.004","110.178","0.005","1532.65","0.15","293.52","0.1","293.52","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N10 O8 -","- C26 H34 N10 O8 -","- C52 H68 N20 O16 -","2","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.092","0.0835","","","0.2038","0.2226","","","","","","1.05","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059209","12.271","0.0003","17.4802","0.0004","19.5368","0.0004","90","","107.634","0.003","90","","3993.72","0.17","296.31","0.1","296.31","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 F N6 O4 -","- C37 H53 F N6 O4 -","- C148 H212 F4 N24 O16 -","4","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.0778","0.0641","","","0.1865","0.2042","","","","","","1.025","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059210","16.8164","0.0006","12.1616","0.0004","9.6474","0.0003","90","","98.674","0.003","90","","1950.46","0.11","295.39","0.1","295.39","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","0.5","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.0804","0.0766","","","0.1746","0.181","","","","","","1.111","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059211","7.933","0.0003","21.6567","0.0007","9.2173","0.0003","90","","105.934","0.004","90","","1522.71","0.1","294.33","0.1","294.33","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N5 O5 -","- C13 H19 N5 O5 -","- C52 H76 N20 O20 -","4","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.0565","0.0529","","","0.1369","0.1405","","","","","","1.069","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059212","10.0589","0.0009","12.81","0.0009","15.9508","0.0013","77.077","0.007","87.942","0.007","78.291","0.007","1961.5","0.3","295","0.3","295","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N10 O8 -","- C42 H34 N10 O8 -","- C84 H68 N20 O16 -","2","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.123","0.0797","","","0.1853","0.2301","","","","","","1.031","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059213","8.1166","0.0011","9.7387","0.0012","11.3513","0.0012","70.89","0.01","69.248","0.011","77.97","0.011","788.47","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C40 H28 O12 -","2","1","","Asthana, Sharad Kumar; Pandey, Abha; Kumar, Ajit; Upadhyay, K. K.","An incisive optical recognition of monohydrogen phosphate by a fluorescein-based chemodosimeter","New Journal of Chemistry","2020","44","6","2201","2205","10.1039/C9NJ03023A","","","0.71073","MoKα","","0.1228","0.0622","","","0.1392","0.1807","","","","","","1.028","","","","has coordinates","257759","2020-10-21","18:00:00",""
"7059214","13.547","0.003","13.789","0.003","19.612","0.004","80.69","0.03","83.18","0.03","68.42","0.03","3354.8","1.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Dy2 N2 O13 -","- C80 H68 Dy2 N2 O13 -","- C160 H136 Dy4 N4 O26 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.057","0.0407","","","0.079","0.0857","","","","","","1.013","","","","has coordinates,has disorder","257755","2020-10-21","18:00:00",""
"7059215","13.546","0.003","13.841","0.003","19.646","0.004","80.79","0.03","83.1","0.03","67.97","0.03","3363.2","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N2 O13 Y2 -","- C80 H68 N2 O13 Y2 -","- C160 H136 N4 O26 Y4 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0707","0.0505","","","0.1041","0.1259","","","","","","1.091","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059216","13.528","0.003","13.842","0.003","19.619","0.004","80.83","0.03","83.21","0.03","68.06","0.03","3357.2","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Ho2 N2 O13 -","- C80 H68 Ho2 N2 O13 -","- C160 H136 Ho4 N4 O26 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0542","0.0441","","","0.0933","0.0993","","","","","","1.086","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059217","13.568","0.003","13.924","0.003","19.669","0.004","81.13","0.03","82.97","0.03","67.3","0.03","3379","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N2 O13 Yb2 -","- C80 H68 N2 O13 Yb2 -","- C160 H136 N4 O26 Yb4 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0623","0.0479","","","0.1264","0.1455","","","","","","1.036","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059218","13.545","0.003","13.888","0.003","19.666","0.004","80.9","0.03","83.11","0.03","67.71","0.03","3372.6","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Er2 N2 O13 -","- C80 H68 Er2 N2 O13 -","- C160 H136 Er4 N4 O26 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0537","0.0438","","","0.1245","0.1439","","","","","","1.023","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059219","7.433","0.0002","10.9372","0.0002","14.2039","0.0003","72.34","0.001","84.656","0.001","76.053","0.001","1067.62","0.04","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 Co2 O12 -","- C17 H20 Co2 O12 -","- C34 H40 Co4 O24 -","2","1","","Li, Bai-Ling; Wang, Jun-Ku; Gao, Jin-Sheng; Yu, Ying-Hui; Ma, Dong-Sheng","A semi-rigid tricarboxylate ligand based Co(ii) coordination polymer: construction and applications in multiple sensing","New Journal of Chemistry","2020","44","9","3664","3671","10.1039/C9NJ05766H","","","0.71073","MoKα","","0.0445","0.035","","","0.0954","0.102","","","","","","1.063","","","","has coordinates,has disorder","257821","2020-10-21","18:00:00",""
"7059220","13.7952","0.0007","7.584","0.0004","20.2728","0.0009","90","","62.896","0.003","90","","1888.07","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C84 H64 Cl4 N4 O12 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0447","0.0384","","","0.1004","0.1057","","","","","","1.04","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059221","26.984","0.003","7.6486","0.0008","18.354","0.002","90","","107.479","0.003","90","","3613.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C168 H128 F8 N8 O24 S8 -","8","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0706","0.0453","","","0.1122","0.1316","","","","","","1.062","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059222","11.6707","0.0012","12.5558","0.0013","13.3311","0.0014","90","","101.004","0.003","90","","1917.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfonamide chalcone","(E)-3-(2-chlorophenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0712","0.0504","","","0.1212","0.1389","","","","","","1.119","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059223","13.1059","0.0005","17.5044","0.0008","8.1948","0.0004","90","","102.278","0.002","90","","1836.98","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0533","0.0395","","","0.0975","0.11","","","","","","1.039","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059224","14.0149","0.0016","7.6562","0.0009","18.38","0.002","90","","101.242","0.004","90","","1934.3","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide chalcone","(E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one","","- C21 H16 N2 O5 S -","- C21 H16 N2 O5 S -","- C84 H64 N8 O20 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0857","0.0528","","","0.1066","0.1193","","","","","","1.047","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059225","8.413","0.0004","9.8066","0.0005","13.1211","0.0007","73.231","0.002","85.049","0.002","69.892","0.002","973.22","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C42 H32 Cl2 N2 O6 S2 -","2","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0646","0.0444","","","0.1089","0.1211","","","","","","1.022","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059226","8.5051","0.0009","12.1557","0.0015","19.52","0.002","101.955","0.004","99.056","0.004","92.558","0.004","1943.5","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Br2 N2 O6 S2 -","- C42 H32 Br2 N2 O6 S2 -","- C84 H64 Br4 N4 O12 S4 -","2","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0604","0.0404","","","0.0934","0.1017","","","","","","1.029","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059227","13.8047","0.0012","7.5462","0.0007","18.9025","0.0015","90","","104.055","0.003","90","","1910.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bromine chalcone","(E)-3-(2-bromophenyl)-1-(2phenylsulfonylamine)-phenyl)prop-2-en-1-one","","- C21 H16 Br N O3 S -","- C21 H16 Br N O3 S -","- C84 H64 Br4 N4 O12 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.041","0.0314","","","0.073","0.0778","","","","","","1.0514","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059228","8.8384","0.0005","26.6514","0.0016","8.7741","0.0004","90","","90.963","0.005","90","","2066.5","0.19","293.7","0.7","293.7","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C92 H84 N4 O16 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","x-ray","0.71073","MoKα","","0.0724","0.0544","","","0.123","0.1307","","","","","","1.11","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059229","7.192","0.004","13.35","0.007","19.898","0.011","90","","92.983","0.007","90","","1907.9","1.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl (2E,4E,6Z)-6-(4-methoxyphenyl)-7-(4-nitrophenyl)hepta-2,4,6-trienoate","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Kiyota, Sayori; Hirano, Masafumi","An insight into regioselectivity in the transformation through a ruthenacycle","New Journal of Chemistry","2020","44","5","2129","2145","10.1039/C9NJ04880D","","","0.71075","MoKα","","0.1447","0.0554","","","0.1377","0.181","","","","","","0.913","","","","has coordinates","257707","2020-10-21","18:00:00",""
"7059230","8.721","0.0017","12.844","0.003","14.19","0.003","90","","99.62","0.03","90","","1567.1","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 I3.46 N8 Pd S4 -","- C16 H24 I3.46 N8 Pd S4 -","- C32 H48 I6.92 N16 Pd2 S8 -","2","0.5","","Isaia, Francesco; Aragoni, Maria Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito; Pivetta, Tiziana","Oxidant/complexing properties of the methimazole (MeImHS)/iodine system towards palladium and gold metals. Crystal structure of the complex cation [PdII(MeImHS)4]2+ balanced by a tetraiodide/iodide mixture","New Journal of Chemistry","2020","44","6","2652","2660","10.1039/C9NJ05872A","","","0.71073","MoKα","","0.0611","0.0478","","","0.1393","0.1476","","","","","","1.095","","","","has coordinates","257756","2020-10-21","18:00:00",""
"7059231","8.1177","0.0013","13.574","0.002","16.277","0.003","107.443","0.003","90.128","0.003","90.166","0.003","1711.1","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl3 N2 O4 S -","- C13 H15 Cl3 N2 O4 S -","- C52 H60 Cl12 N8 O16 S4 -","4","2","","Sadanandan, Sandhya; Gupta, Dharmendra Kumar","Changing stereoselectivity and regioselectivity in copper(i)-catalyzed 5-exo cyclization by chelation and rigidity in aminoalkyl radicals: synthesis towards diverse bioactive N-heterocycles","New Journal of Chemistry","2020","44","8","3350","3365","10.1039/C9NJ05166J","","","0.71073","MoKα","","0.0968","0.0849","","","0.2003","0.2071","","","","","","1.191","","","","has coordinates","257698","2020-10-21","18:00:00",""
"7059232","12.302","0.003","13.884","0.003","8.368","0.002","90","","101.188","0.004","90","","1402.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl3 N O2 -","- C13 H12 Cl3 N O2 -","- C52 H48 Cl12 N4 O8 -","4","1","","Sadanandan, Sandhya; Gupta, Dharmendra Kumar","Changing stereoselectivity and regioselectivity in copper(i)-catalyzed 5-exo cyclization by chelation and rigidity in aminoalkyl radicals: synthesis towards diverse bioactive N-heterocycles","New Journal of Chemistry","2020","44","8","3350","3365","10.1039/C9NJ05166J","","","0.71073","MoKα","","0.0976","0.0861","","","0.1667","0.1723","","","","","","1.275","","","","has coordinates","257698","2020-10-21","18:00:00",""
"7059233","18.0711","0.0012","5.8758","0.0004","12.1915","0.0008","90","","90","","90","","1294.52","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H15 Fe N O0.75 S1.25 -","- C14 H15 Fe N O0.75 S1.25 -","- C56 H60 Fe4 N4 O3 S5 -","4","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0614","0.0414","","","0.0612","0.0679","","","","","","1.03","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059234","13.3801","0.0005","12.1406","0.0003","36.1701","0.0007","90","","90","","90","","5875.6","0.3","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C56 H66 Fe4 N4 O6 Pb S6 -","- C56 H66 Fe4 N4 O6 Pb S6 -","- C224 H264 Fe16 N16 O24 Pb4 S24 -","4","0.5","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","x-ray","0.71073","MoKα","","0.0645","0.0435","","","0.0846","0.0937","","","","","","1.047","","","","has coordinates","257699","2020-10-21","18:00:00",""
"7059235","7.4655","0.0002","17.0134","0.0007","19.1135","0.0006","104.531","0.003","98.067","0.002","101.727","0.003","2253.6","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H96 Bi2 Fe6 N6 O6 S12 -","- C84 H96 Bi2 Fe6 N6 O6 S12 -","- C84 H96 Bi2 Fe6 N6 O6 S12 -","1","0.5","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0413","0.0321","","","0.0611","0.0643","","","","","","1.038","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059236","10.5006","0.0003","12.6213","0.0005","18.8487","0.0004","101.456","0.002","91.791","0.002","102.151","0.003","2386.46","0.13","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H54 Fe3 N3 O4 S6 Sb -","- C44 H54 Fe3 N3 O4 S6 Sb -","- C88 H108 Fe6 N6 O8 S12 Sb2 -","2","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","x-ray","1.54184","CuKα","","0.0609","0.0504","","","0.1198","0.1263","","","","","","1.056","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059237","5.7019","0.0002","11.8123","0.0005","17.7316","0.0007","90","","90","","90","","1194.27","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Fe N O2 -","- C14 H15 Fe N O2 -","- C56 H60 Fe4 N4 O8 -","4","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0281","0.0257","","","0.0609","0.0625","","","","","","1.027","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059238","13.507","0.003","5.924","0.001","23.648","0.005","90","","94.45","0.02","90","","1886.5","0.7","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H38 S5 -","- C43 H38 S5 -","- C86 H76 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2822","0.0721","","","0.1014","0.1612","","","","","","0.861","","","","has coordinates","257695","2020-10-21","18:00:00",""
"7059239","13.174","0.002","5.8936","0.001","23.803","0.002","90","","94.469","0.012","90","","1842.5","0.4","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H36 O S5 -","- C42 H36 O S5 -","- C84 H72 O2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2608","0.0786","","","0.1051","0.1622","","","","","","0.96","","","","has coordinates,has disorder","257695","2020-10-21","18:00:00",""
"7059240","12.9947","0.0019","5.79","0.001","23.584","0.003","90","","94.71","0.012","90","","1768.5","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H36 O S5 -","- C42 H36 O S5 -","- C84 H72 O2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2577","0.0884","","","0.1052","0.159","","","","","","0.95","","","","has coordinates,has disorder","257695","2020-10-21","18:00:00",""
"7059241","12.931","0.004","5.8914","0.0014","23.919","0.007","90","","94.154","0.011","90","","1817.4","0.9","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","A5CN_RT","","- C42 H35 N S5 -","- C42 H35 N S5 -","- C84 H70 N2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","powder diffraction","","1.54056","CuKα1andKα2","","","","","","","","","10.3392","1.99202","","","","","","","has coordinates","257695","2020-10-21","18:00:00",""
"7059242","10.3699","0.0011","11.8276","0.0013","12.9546","0.0013","90","","103.536","0.004","90","","1544.8","0.3","303","2","303","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 -","- C19 H17 N5 -","- C76 H68 N20 -","4","1","","Xu, Shenzheng; Jia, Xiaoyu; Lu, Jiaxin; Zheng, Lianyou; Lv, Kuo; Shu, Yuanhong; Sun, Jingbo","Pteridine derivatives: novel low-molecular-weight organogelators and their piezofluorochromism","New Journal of Chemistry","2020","44","8","3382","3391","10.1039/C9NJ05922A","","","0.71073","MoKα","","0.0552","0.0433","","","0.1038","0.109","","","","","","1.076","","","","has coordinates","257697","2020-10-21","18:00:00",""
"7059243","9.2646","0.0003","9.299","0.0003","10.9654","0.0004","94.216","0.001","106.672","0.001","108.476","0.001","844.15","0.05","303","2","303","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N5 -","- C20 H19 N5 -","- C40 H38 N10 -","2","1","","Xu, Shenzheng; Jia, Xiaoyu; Lu, Jiaxin; Zheng, Lianyou; Lv, Kuo; Shu, Yuanhong; Sun, Jingbo","Pteridine derivatives: novel low-molecular-weight organogelators and their piezofluorochromism","New Journal of Chemistry","2020","44","8","3382","3391","10.1039/C9NJ05922A","","","0.71073","MoKα","","0.0599","0.0474","","","0.1119","0.1204","","","","","","1.043","","","","has coordinates","257697","2020-10-21","18:00:00",""
"7059244","14.0861","0.0005","16.1493","0.0005","25.261","0.0008","90","","105.532","0.001","90","","5536.5","0.3","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H46 Cl4 Co N9 O3 -","- C65 H46 Cl4 Co N9 O3 -","- C260 H184 Cl16 Co4 N36 O12 -","4","1","","Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib","Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction","New Journal of Chemistry","2020","44","9","3737","3747","10.1039/C9NJ05527D","","","0.71073","MoKα","","0.0809","0.0591","","","0.1521","0.1714","","","","","","1.032","","","","has coordinates,has disorder","257824","2020-10-21","18:00:00",""
"7059245","13.41","0.013","14.787","0.014","20.2","0.02","110.18","0.04","103.35","0.04","92.43","0.05","3625","6","151","2","150.67","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Co N9 O3 -","- C39 H30 Co N9 O3 -","- C156 H120 Co4 N36 O12 -","4","2","","Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib","Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction","New Journal of Chemistry","2020","44","9","3737","3747","10.1039/C9NJ05527D","","","0.71073","MoKα","","0.1747","0.0798","","","0.1694","0.217","","","","","","0.96","","","","has coordinates","257824","2020-10-21","18:00:00",""
"7059246","20.9681","0.0018","24.686","0.002","24.862","0.002","90","","90","","90","","12869","1.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C81 H54 Co N9 O3 -","- C81 H54 Co N9 O3 -","- C648 H432 Co8 N72 O24 -","8","1","","Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib","Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction","New Journal of Chemistry","2020","44","9","3737","3747","10.1039/C9NJ05527D","","","0.71073","MoKα","","0.1753","0.0717","","","0.2001","0.2632","","","","","","0.961","","","","has coordinates","257824","2020-10-21","18:00:00",""
"7059247","12.3838","0.0017","13.0495","0.0013","8.3122","0.0009","90","","90.576","0.011","90","","1343.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","CuATSM","","- C8 H15 Cu N6 S2 -","- C8 H15 Cu N6 S2 -","- C32 H60 Cu4 N24 S8 -","4","1","","Jiang, Wen-Xing; Liu, Wei-Xia; Wang, Chun-Li; Zhan, Shu-Zhong; Wu, Song-Ping","A bis(thiosemicarbazonato)-copper complex, a new catalyst for electro- and photo-reduction of CO2 to methanol","New Journal of Chemistry","2020","44","7","2721","2726","10.1039/C9NJ05672F","","","0.71073","MoKα","","0.0603","0.0423","","","0.0616","0.0676","","","","","","0.992","","","","has coordinates","257816","2020-10-21","18:00:00",""
"7059248","13.63","0.003","13.65","0.003","17.23","0.003","76.9","0.03","68.64","0.03","77.65","0.03","2877.1","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Dy2 N6 O15 -","- C51 H66 Dy2 N6 O15 -","- C102 H132 Dy4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0796","0.0614","","","0.156","0.1773","","","","","","1.071","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059249","13.596","0.003","13.654","0.003","17.217","0.003","77.06","0.03","68.79","0.03","77.6","0.03","2872.4","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 N6 O15 Tb2 -","- C51 H66 N6 O15 Tb2 -","- C102 H132 N12 O30 Tb4 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0413","0.0352","","","0.0877","0.0924","","","","","","1.089","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059250","13.615","0.003","13.616","0.003","17.183","0.003","76.68","0.03","68.59","0.03","78.05","0.03","2859.1","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Er2 N6 O15 -","- C51 H66 Er2 N6 O15 -","- C102 H132 Er4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.037","0.0298","","","0.0795","0.0945","","","","","","0.96","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059251","12.443","0.003","23.026","0.005","10.237","0.002","90","","95.31","0.03","90","","2920.4","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 N6 O14 Yb2 -","- C64 H64 N6 O14 Yb2 -","- C128 H128 N12 O28 Yb4 -","2","0.5","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0492","0.0401","","","0.0977","0.1039","","","","","","1.034","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059252","13.616","0.003","13.689","0.003","17.258","0.004","77.36","0.03","68.98","0.03","77.19","0.03","2893.4","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Eu2 N6 O15 -","- C51 H66 Eu2 N6 O15 -","- C102 H132 Eu4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0364","0.0312","","","0.0789","0.0828","","","","","","1.066","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059253","13.588","0.003","13.622","0.003","17.212","0.003","76.83","0.03","68.94","0.03","77.97","0.03","2866.7","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Ho2 N6 O15 -","- C51 H66 Ho2 N6 O15 -","- C102 H132 Ho4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0451","0.0366","","","0.0838","0.0889","","","","","","1.059","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059254","18.959","0.004","20.834","0.004","15.622","0.003","90","","113.06","0.03","90","","5678","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Dy2 N6 O12 -","- C60 H54 Dy2 N6 O12 -","- C240 H216 Dy8 N24 O48 -","4","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0697","0.0558","","","0.1342","0.1449","","","","","","1.06","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059255","12.424","0.0005","5.7358","0.0002","16.382","0.0006","90","","101.436","0.004","90","","1144.23","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","indomethacin L-proline","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid L-proline","","- C24 H27 Cl N2 O7 -","- C24 H27 Cl N2 O7 -","- C48 H54 Cl2 N4 O14 -","2","1","","Wang, Ling-Yang; Yu, Yue-Ming; Jiang, Fu-Bin; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","The first zwitterionic cocrystal of indomethacin with amino acid showing optimized physicochemical properties as well as accelerated absorption and slowed elimination in vivo","New Journal of Chemistry","2020","44","10","3930","3939","10.1039/C9NJ06180K","","","1.54184","CuKα","","0.0841","0.0788","","","0.2035","0.2096","","","","","","1.033","","","","has coordinates","257653","2020-10-21","18:00:00",""
"7059256","8.4314","0.001","7.1284","0.001","23.591","0.003","90","","91.638","0.012","90","","1417.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.1167","0.1044","","","0.224","0.2305","","","","","","1.251","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059257","6.8992","0.0008","10.718","0.0012","11.0208","0.0012","103.797","0.009","92.767","0.009","91.011","0.009","790.15","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cl2 N6 O8 V2 -","- C32 H30 Cl2 N6 O8 V2 -","- C32 H30 Cl2 N6 O8 V2 -","1","0.5","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.091","0.0673","","","0.1897","0.2044","","","","","","1.102","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059258","8.4289","0.0007","14.4775","0.0009","14.0191","0.0014","90","","101.407","0.009","90","","1677","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N3 O4 V -","- C17 H18 N3 O4 V -","- C68 H72 N12 O16 V4 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.0865","0.0608","","","0.1378","0.1537","","","","","","0.929","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059259","9.7308","0.0004","13.0374","0.0005","12.7577","0.0006","90","","105.085","0.005","90","","1562.72","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N3 O4 V -","- C16 H16 N3 O4 V -","- C64 H64 N12 O16 V4 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.0633","0.04","","","0.0919","0.0967","","","","","","0.933","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059260","16.7983","0.0014","7.336","0.0008","12.7009","0.0013","90","","111.721","0.011","90","","1454","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.1407","0.0805","","","0.157","0.1827","","","","","","1.038","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059261","11.0164","0.0009","9.539","0.0009","27.584","0.002","90","","92.035","0.008","90","","2896.8","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H30 N6 O6 V -","- C32 H30 N6 O6 V -","- C128 H120 N24 O24 V4 -","4","0.5","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.1716","0.1015","","","0.1211","0.143","","","","","","1.06","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059262","8.9923","0.0002","12.1935","0.0003","15.8556","0.0005","90","","104.014","0.003","90","","1686.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C68 H72 N12 O20 V4 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.0469","0.0342","","","0.0891","0.0915","","","","","","0.975","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059263","4.9683","0.0012","13.968","0.003","17.534","0.004","90","","90.619","0.003","90","","1216.7","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(5A)","(2-Iodobiphenyl-3-yl)boronic acid","","- C12 H10 B I O2 -","- C12 H10 B I O2 -","- C48 H40 B4 I4 O8 -","4","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","0.71073","MoKα","","0.0635","0.0361","","","0.0695","0.079","","","","","","0.99","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059264","7.4048","0.0003","9.6801","0.0004","10.5728","0.0004","101.675","0.0004","90.6702","0.0005","105.763","0.0004","712.47","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(19A)","(2-iodo-4',5-dimethoxybiphenyl-3-yl)boronic acid","","- C14 H14 B I O4 -","- C14 H14 B I O4 -","- C28 H28 B2 I2 O8 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","0.71073","MoKα","","0.0232","0.0208","","","0.0485","0.0499","","","","","","1.07","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059265","19.7878","0.0014","5.0588","0.0004","27.336","0.002","90","","93.9416","0.001","90","","2729.9","0.4","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(14A)","(2-iodo-5-methoxybiphenyl-3-yl)boronic acid","","- C13 H12 B I O3 -","- C13 H12 B I O3 -","- C104 H96 B8 I8 O24 -","8","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","0.71073","MoKα","","0.0333","0.0264","","","0.0592","0.0625","","","","","","1.033","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059266","5.1433","0.0002","13.2175","0.0004","14.1071","0.0004","114.14","0.0017","94.4519","0.0016","93.3392","0.0016","868.24","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(21A)","(2-iodo-5-methoxy-4'-phenoxybiphenyl-3-yl)boronic acid","","- C19 H16 B I O4 -","- C19 H16 B I O4 -","- C38 H32 B2 I2 O8 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","1.54178","CuKα","","0.027","0.0252","","","0.0605","0.061","","","","","","0.998","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059267","12.048","0.002","11.01","0.0018","13.672","0.002","90","","97.956","0.006","90","","1796.1","0.5","110","","110","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C88 H68 N20 -","4","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.0821","0.0597","","","0.162","0.1794","","","","","","1.04","","","","has coordinates,has disorder","257817","2020-10-21","18:00:00",""
"7059268","14.255","0.003","12.232","0.002","25.245","0.006","90","","90","","90","","4401.9","1.6","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N5 Pt -","- C24 H23 N5 Pt -","- C192 H184 N40 Pt8 -","8","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.0502","0.0265","","","0.0495","0.0557","","","","","","1.015","","","","has coordinates","257817","2020-10-21","18:00:00",""
"7059269","21.215","0.008","16.979","0.007","15.512","0.007","90","","117.328","0.01","90","","4964","4","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 I2 N5 Pt -","- C24 H23 I2 N5 Pt -","- C192 H184 I16 N40 Pt8 -","8","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.065","0.0329","","","0.0528","0.0593","","","","","","1.061","","","","has coordinates,has disorder","257817","2020-10-21","18:00:00",""
"7059270","11.086","0.004","10.722","0.004","25.681","0.01","90","","101.103","0.016","90","","2995","2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H33 Br N5 O0.5 Pt -","- C32.5 H33 Br N5 O0.5 Pt -","- C130 H132 Br4 N20 O2 Pt4 -","4","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.0868","0.0428","","","0.0823","0.0946","","","","","","1.042","","","","has coordinates,has disorder","257817","2020-10-21","18:00:00",""
"7059271","10.0278","0.0004","10.815","0.0004","11.265","0.0004","90","","98.834","0.001","90","","1207.2","0.08","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C10 H16 N5 O1.5 -","- C10 H16 N5 O1.5 -","- C40 H64 N20 O6 -","4","1","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.71073","MoKα","","0.0769","0.0463","","","0.1219","0.1388","","","","","","1.023","","","","has coordinates","257711","2020-10-21","18:00:00",""
"7059272","11.07","0.002","11.18","0.002","12.88","0.003","70.07","0.03","65.63","0.03","88.17","0.03","1354","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32.34 Cl2 N10 Ni O3.17 -","- C20 H32.33 Cl2 N10 Ni O3.17 -","- C40 H64.66 Cl4 N20 Ni2 O6.34 -","2","1","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.7927","synchrotron","","0.0363","0.0325","","","0.0821","0.0844","","","","","","1.037","","","","has coordinates","257711","2020-10-21","18:00:00",""
"7059273","8.1014","0.0016","22.215","0.004","28.766","0.006","90","","90","","90","","5177.1","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl Co N10 O6 -","- C20 H28 Cl Co N10 O6 -","- C160 H224 Cl8 Co8 N80 O48 -","8","1","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.8042","synchrotron","","0.0662","0.0578","","","0.1299","0.1346","","","","","","1.142","","","","has coordinates","257711","2020-10-21","18:00:00",""
"7059274","12.89","0.003","15.01","0.003","15.15","0.003","94.9","0.03","91.49","0.03","96.56","0.03","2899.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31.5 Cl2 Mn N10 O10.75 -","- C20 H31.5 Cl2 Mn N10 O10.75 -","- C80 H126 Cl8 Mn4 N40 O43 -","4","2","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.7927","synchrotron","","0.0573","0.0487","","","0.129","0.1359","","","","","","1.042","","","","has coordinates,has disorder","257711","2020-10-21","18:00:00",""
"7059275","29.6557","0.0007","29.6557","0.0007","9.9045","0.0003","90","","90","","120","","7543.6","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H15 Br N2 O2 S -","- C18 H15 Br N2 O2 S -","- C324 H270 Br18 N36 O36 S18 -","18","1","","Basu, Pallabita; Hazra, Chiranjit; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of tetrahydrothiopyrano[2,3-b]indoles via [3+3] annulation of nitroallylic acetates with indoline-2-thiones","New Journal of Chemistry","2020","44","4","1389","1399","10.1039/C9NJ04754A","","x-ray","0.71073","MoKα","","0.0324","0.0279","","","0.0633","0.0654","","","","","","1.036","","","","has coordinates","257727","2020-10-21","18:00:00",""
"7059276","15.5165","0.0004","17.509","0.0009","7.3318","0.0005","90","","90","","90","","1991.89","0.18","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","Cd4(SeO3)2Cl4(H2O)","'Cd4(SeO3)2Cl4(H2O)'","","- Cd4 Cl4 H2 O7 Se2 -","- Cd4 Cl4 H2 O7 Se2 -","- Cd32 Cl32 H16 O56 Se16 -","8","0.25","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0428","0.0427","","","0.122","0.1221","","","","","","1.075","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059277","5.9625","0.0011","9.3712","0.0018","12.051","0.002","75.207","0.003","88.706","0.003","80.057","0.003","641.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","1","0.5","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.041","0.0325","","","0.0746","0.0789","","","","","","1.018","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059278","10.7592","0.0009","13.2163","0.001","13.8207","0.0012","99.285","0.006","106.566","0.006","100.756","0.006","1801.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1279","0.0412","","","0.0875","0.1061","","","","","","0.726","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059279","10.5903","0.0016","13.106","0.002","13.493","0.002","98.591","0.012","109.128","0.012","99.938","0.013","1699.6","0.5","65","2","65","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1823","0.0565","","","0.1112","0.1427","","","","","","0.754","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059280","10.8445","0.001","13.3049","0.0011","13.3647","0.0011","98.9","0.005","96.585","0.005","112.372","0.005","1729.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0676","0.0397","","","0.0849","0.0931","","","","","","0.909","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059281","10.6489","0.0007","13.1068","0.0008","13.4746","0.0008","98.614","0.004","109.029","0.004","99.544","0.005","1710.9","0.2","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1206","0.0471","","","0.0846","0.1001","","","","","","0.772","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059282","11.0848","0.0011","13.4222","0.0013","13.422","0.0013","98.223","0.006","97.348","0.006","111.84","0.006","1798.6","0.3","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0873","0.0432","","","0.0982","0.1114","","","","","","0.863","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059283","10.3823","0.0004","13.0953","0.0004","13.6544","0.0005","99.023","0.002","104.885","0.002","103.411","0.002","1698.35","0.11","142","2","142","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0518","0.0354","","","0.0993","0.1062","","","","","","1.05","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059284","10.5061","0.0006","13.1523","0.0008","13.9207","0.0009","99.488","0.004","104.245","0.004","103.517","0.004","1761.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0744","0.0403","","","0.1058","0.1199","","","","","","0.802","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059285","10.61","0.002","13.202","0.003","14.083","0.003","100.35","0.03","103.84","0.03","103.09","0.03","1807.7","0.8","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H62 Cu2 F24 N8 O12 -","- C57 H62 Cu2 F24 N8 O12 -","- C57 H62 Cu2 F24 N8 O12 -","1","0.5","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1582","0.0588","","","0.1456","0.189","","","","","","0.907","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059286","10.4354","0.001","13.0352","0.0012","13.4418","0.0013","98.783","0.006","105.985","0.006","101.687","0.006","1678.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0592","0.0379","","","0.0883","0.0954","","","","","","0.926","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059287","10.3066","0.0006","13.097","0.0007","13.5407","0.0008","99.057","0.004","104.945","0.004","103.359","0.004","1671.78","0.18","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0711","0.0397","","","0.0917","0.1012","","","","","","0.842","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059288","10.3612","0.0004","13.0926","0.0005","13.62","0.0005","98.996","0.002","104.929","0.002","103.443","0.002","1689.75","0.12","126","2","126","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0668","0.0402","","","0.1038","0.1125","","","","","","1.007","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059289","10.662","0.0012","13.1113","0.0014","13.6593","0.0015","98.893","0.008","106.584","0.008","100.975","0.008","1751.7","0.4","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0876","0.0418","","","0.0874","0.0989","","","","","","0.834","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059290","10.4659","0.0009","13.0407","0.0011","13.4625","0.0011","98.788","0.006","106.123","0.006","101.592","0.006","1686.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0606","0.039","","","0.0903","0.0974","","","","","","0.93","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059291","24.9655","0.001","3.8349","0.0001","26.7584","0.001","90","","115.488","0.005","90","","2312.52","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","0.5","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0605","0.0418","","","0.1083","0.1121","","","","","","0.938","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059292","9.7843","0.0004","9.8972","0.0003","15.4313","0.0006","72.086","0.002","79.301","0.002","70.5","0.002","1334.57","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0746","0.037","","","0.0781","0.1009","","","","","","0.802","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059293","15.86","0.003","10.73","0.002","5.8704","0.0012","90","","90","","90","","999","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.54178","CuKα","","0.1578","0.12","","","0.3536","0.3807","","","","","","1.574","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059294","10.1147","0.0002","15.1214","0.0002","17.1572","0.0003","90","","90","","90","","2624.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl3 N3 O2 -","- C26 H30 Cl3 N3 O2 -","- C104 H120 Cl12 N12 O8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.5418","CuKα","","0.0471","0.0407","","","0.1016","0.1071","","","","","","1.033","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059295","3.9864","0.0003","21.6026","0.0015","17.7499","0.0014","90","","93.004","0.005","90","","1526.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.54178","CuKα","","0.0724","0.0586","","","0.1396","0.1519","","","","","","1.098","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059296","24.398","0.004","3.8017","0.0006","26.608","0.004","90","","113.302","0.006","90","","2266.7","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C96 H88 N24 O32 -","8","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1106","0.078","","","0.2111","0.2312","","","","","","1.131","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059297","13.6037","0.001","11.6379","0.0009","7.3569","0.0004","90","","90","","90","","1164.73","0.14","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0504","0.0312","","","0.0562","0.0582","","","","","","0.856","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059298","5.3312","0.0004","15.3388","0.0008","23.7807","0.0013","90","","92.891","0.003","90","","1942.2","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N2 O7 P -","- C18 H21 N2 O7 P -","- C72 H84 N8 O28 P4 -","4","2","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0963","0.0847","","","0.1899","0.1963","","","","","","1.119","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059299","5.2641","0.0006","12.0548","0.0013","16.4307","0.0015","74.96","0.004","83.959","0.004","80.275","0.004","990.4","0.18","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0284","0.0259","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059300","6.149","0.006","16.414","0.016","16.807","0.016","90","","98.426","0.011","90","","1678","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0867","0.0492","","","0.1085","0.1263","","","","","","1.015","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059301","8.7688","0.001","9.716","0.0011","12.439","0.0014","90","","110.073","0.002","90","","995.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O7 -","- C20 H27 N O7 -","- C40 H54 N2 O14 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0587","0.0442","","","0.095","0.1024","","","","","","1.074","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059302","9.299","0.006","26.824","0.018","8.234","0.006","90","","97.284","0.007","90","","2037","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 N O -","- C23 H19 Cl2 N O -","- C92 H76 Cl8 N4 O4 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1048","0.0546","","","0.1219","0.1499","","","","","","1.012","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059303","6.6242","0.0002","21.6424","0.0006","8.2186","0.0003","90","","104.05","0.001","90","","1143","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0319","0.0227","","","0.0511","0.0523","","","","","","0.954","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059304","27.454","0.002","13.7918","0.0012","6.666","0.0006","90","","98.678","0.003","90","","2495.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.236","0.1095","","","0.2136","0.2988","","","","","","1.032","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059305","14.795","0.003","11.112","0.003","27.233","0.006","90","","105.434","0.003","90","","4315.7","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","0.5","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0801","0.0504","","","0.1224","0.1356","","","","","","1.045","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059306","10.3322","0.0004","21.0652","0.0009","16.0539","0.0006","90","","90","","90","","3494.1","0.2","299","2","299.6","","","","","","","","","5","C c c 2","C 2 -2c","37","","Mn CRYSTAL","","- C32 H34 Mn2 N12 O8.5 -","- C32 H34 Mn2 N12 O8.5 -","- C128 H136 Mn8 N48 O34 -","4","0.5","","Adak, Piyali; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Manganese(ii) complex of an oxygen‒nitrogen donor Schiff base ligand showing efficient catechol oxidase activity: synthesis, spectroscopic and kinetic study","New Journal of Chemistry","2020","44","9","3748","3754","10.1039/C9NJ04591K","","","0.71073","MoKα","","0.0479","0.0392","","","0.0969","0.1046","","","","","","1.094","","","","has coordinates","257820","2020-10-21","18:00:00",""
"7059307","13.1992","0.0019","9.2011","0.0009","23.622","0.002","90","","91.877","0.011","90","","2867.3","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N10 O13 Zn2 -","- C56 H44 N10 O13 Zn2 -","- C112 H88 N20 O26 Zn4 -","2","0.5","","Xu, Tian-Yang; Li, Jia-Ming; Han, Ya-Hui; Wang, Ai-Rong; He, Kun-Huan; Shi, Zhong-Feng","A new 3D four-fold interpenetrated dia-like luminescent Zn(ii)-based metal‒organic framework: the sensitive detection of Fe3+, Cr2O72−, and CrO42− in water, and nitrobenzene in ethanol","New Journal of Chemistry","2020","44","10","4011","4022","10.1039/C9NJ06056A","","x-ray","0.71073","MoKα","","0.1043","0.0725","","","0.1895","0.2302","","","","","","1.073","","","","has coordinates","257649","2020-10-21","18:00:00",""
"7059308","7.518","0.007","9.118","0.009","11.293","0.011","70.671","0.01","71.668","0.011","78.323","0.011","689.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C32 H26 N2 O6 S2 -","2","1","","Bhasin, Aman K. K.; Raj, Pushap; Chauhan, Pooja; Mandal, Sanjay K.; Chaudhary, Savita; Singh, Narinder; Kaur, Navneet","Design and synthesis of a novel coumarin-based framework as a potential chemomarker of a neurotoxic insecticide, azamethiphos","New Journal of Chemistry","2020","44","8","3341","3349","10.1039/C9NJ04805G","","","0.71073","MoKα","","0.0503","0.046","","","0.1408","0.1461","","","","","","1.051","","","","has coordinates","257696","2020-10-21","18:00:00",""
"7059309","9.0695","0.0004","30.7871","0.0015","9.1428","0.0004","90","","101.22","0.0017","90","","2504.1","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5‒(4‒(1,2,2‒triphenylvinyl)phenyl)‒2H‒chromen‒2‒one","","- C35 H24 O2 -","- C35 H24 O2 -","- C140 H96 O8 -","4","1","","Reddy, T. Sheshashena; Moon, Hyungkyu; Choi, Myung-Seok","Coumarin‒tetraphenylethylene regioisomers: synthesis, photophysical and aggregation-induced emission properties","New Journal of Chemistry","2020","44","13","4992","5000","10.1039/D0NJ00037J","","","0.71073","MoKα","","0.0889","0.0504","","","0.1131","0.1407","","","","","","1.068","","","","has coordinates","257807","2020-10-21","18:00:00",""
"7059310","19.8872","0.001","5.8066","0.0002","26.9647","0.0016","90","","103.393","0.005","90","","3029.1","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 N Se2 Si -","- C32 H43 N Se2 Si -","- C128 H172 N4 Se8 Si4 -","4","1","","Petrenko, Alla; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Danyliv, Yan; Simokaitiene, Jurate; Belyakov, Sergey; Grazulevicius, Juozas Vidas; Arsenyan, Pavel","Synthesis of fused chalcogenophenocarbazoles: towards dual emission resulting from hybridized local and charge-transfer states","New Journal of Chemistry","2020","44","10","3903","3911","10.1039/C9NJ06211D","","x-ray","0.71073","MoKα","","0.0767","0.0461","","","0.0844","0.0911","","","","","","1.011","","","","has coordinates","257654","2020-10-21","18:00:00",""
"7059311","26.4019","0.001","15.6825","0.0006","22.9171","0.0013","90","","121.571","0.001","90","","8084.4","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Cl2 N5 O11 Ru -","- C20 H20 Cl2 N5 O11 Ru -","- C240 H240 Cl24 N60 O132 Ru12 -","12","1.5","","Vorobyev, Vasily; Mikhailov, Artem A.; Komarov, Vladislav Yu.; Makhinya, Alexander N.; Kostin, Gennadiy A.","Tuning the structure and photoinduced linkage isomerism of tetrapyridine nitrosyl ruthenium(ii) complexes by changing the trans-to-NO coordinated ligand","New Journal of Chemistry","2020","44","12","4762","4771","10.1039/C9NJ05862A","","","0.71073","MoKα","","0.0383","0.0292","","","0.0705","0.0756","","","","","","1.039","","","","has coordinates,has disorder","257896","2020-10-21","18:00:00",""
"7059312","17.0884","0.0015","38.951","0.004","12.1957","0.0011","90","","90","","90","","8117.6","1.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H25 N5 O2 S2 -","- C17 H25 N5 O2 S2 -","- C272 H400 N80 O32 S32 -","16","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.131","0.1222","","","0.2454","0.2498","","","","","","1.148","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059313","19.655","0.001","22.587","0.001","18.115","0.001","90","","113.96","0.01","90","","7349.1","0.9","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 F6 In2 K N15 O6 P S6 -","- C58 H77 F6 In2 K N15 O6 P S6 -","- C232 H308 F24 In8 K4 N60 O24 P4 S24 -","4","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.0657","0.0385","","","0.0865","0.0939","","","","","","0.892","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059314","19.601","0.001","22.477","0.001","18.119","0.001","90","","113.88","0.01","90","","7299.4","0.9","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 F6 In2 N15 O6 P Rb S6 -","- C58 H77 F6 In2 N15 O6 P Rb S6 -","- C232 H308 F24 In8 N60 O24 P4 Rb4 S24 -","4","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.11","0.0418","","","0.0626","0.074","","","","","","0.813","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059315","19.632","0.001","22.545","0.001","18.107","0.001","90","","113.96","0.01","90","","7323.6","0.9","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H81 F6 In2 N16 O6 P S6 -","- C58 H81 F6 In2 N16 O6 P S6 -","- C232 H324 F24 In8 N64 O24 P4 S24 -","4","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.0729","0.0344","","","0.0591","0.065","","","","","","0.85","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059316","7.2036","0.0005","10.2696","0.0007","11.0023","0.0008","90","","90","","90","","813.93","0.1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Copper glutamate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","1","","Olawale, Margaret D.; Tella, Adedibu C.; Obaleye, Joshua A.; Olatunji, Juwon S.","Synthesis, characterization and crystal structure of a copper-glutamate metal organic framework (MOF) and its adsorptive removal of ciprofloxacin drug from aqueous solution","New Journal of Chemistry","2020","44","10","3961","3969","10.1039/D0NJ00515K","","","1.5418","CuKα","","0.017","0.017","","0.0174","0.0174","0.0173","","","","","","1.0563","","","","has coordinates","257655","2020-10-21","18:00:00",""
"7059317","13.6288","0.0005","14.6252","0.0006","13.1217","0.0005","90","","111.204","0.002","90","","2438.4","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Co N2 O7 -","- C26 H24 Co N2 O7 -","- C104 H96 Co4 N8 O28 -","4","1","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Frontera, Antonio; Verma, Akalesh K.; Sharma, Pranay; Das, Amal","Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion‒π/π‒π/π‒anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies","New Journal of Chemistry","2020","44","11","4504","4518","10.1039/C9NJ05727G","","","0.71073","MoKα","","0.07","0.0435","","","0.0978","0.1089","","","","","","0.94","","","","has coordinates","257889","2020-10-21","18:00:00",""
"7059318","10.7414","0.0009","12.6975","0.0012","13.4453","0.0009","115.264","0.007","92.237","0.006","111.454","0.008","1501.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Cl2 N4 O5 Zn -","- C31 H26 Cl2 N4 O5 Zn -","- C62 H52 Cl4 N8 O10 Zn2 -","2","1","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Frontera, Antonio; Verma, Akalesh K.; Sharma, Pranay; Das, Amal","Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion‒π/π‒π/π‒anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies","New Journal of Chemistry","2020","44","11","4504","4518","10.1039/C9NJ05727G","","","0.71073","MoKα","","0.0746","0.0487","","","0.0907","0.1083","","","","","","1.057","","","","has coordinates","257889","2020-10-21","18:00:00",""
"7059319","16.977","0.003","16.977","0.003","7.282","0.002","90","","90","","120","","1817.6","0.7","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- B19 Ba24 O57 Rb9 -","- B19 Ba24 O57 Rb9 -","- B19 Ba24 O57 Rb9 -","1","0.0833333","","Niu, Xiaowen; Wang, Li","Synthesis, characterization and crystal structure of a new mixed alkali and alkaline-earth metal borate Rb9Ba24(BO3)19","New Journal of Chemistry","2020","44","10","3882","3887","10.1039/C9NJ06320J","","","0.71073","MoKα","","0.0355","0.027","","","0.0605","0.0633","","","","","","1.043","","","","has coordinates","257657","2020-10-21","18:00:00",""
"7059320","10.972","0.003","11.579","0.003","22.431","0.006","85.129","0.007","78.968","0.007","68.6","0.006","2603.9","1.2","298","","293.15","","","","","","","","","6","P -1","-P 1","2","","dtc","","- C45 H62 N4 P2 Re2 S8 -","- C45 H62 N4 P2 Re2 S8 -","- C90 H124 N8 P4 Re4 S16 -","2","1","","Mandal, Suman; Mallick, Suman; Garu, Purnananda; Chowdhury, Jagannath; Samadder, Asmita; Das, Jayeeta; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Swarup","The first examples of triply bonded dirhenium(II,II) complexes that contain bis(diphenylphosphino)methane and dithiocarbamato ligands: spectroscopic, structural, cytotoxicity and computational studies","New Journal of Chemistry","2020","44","10","4081","4091","10.1039/C9NJ06122C","","","0.71073","MoKα","","0.1371","0.0594","","","0.0872","0.112","","","","","","0.876","","","","has coordinates,has disorder","257652","2020-10-21","18:00:00",""
"7059321","9.5139","0.0006","11.883","0.0008","13.6051","0.0009","90","","103.3","0.006","90","","1496.85","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11.33 H9.33 O3.33 S0.67 -","- C11.3333 H9.33333 O3.33333 S0.666667 -","- C68 H56 O20 S4 -","6","1.5","","Fernandes, Rodney A.; Gangani, Ashvin J.; Kunkalkar, Rupesh A.","Metal-free annulative hydrosulfonation of propiolate esters: synthesis of 4-sulfonates of coumarins and butenolides","New Journal of Chemistry","2020","44","10","3970","3984","10.1039/C9NJ06438A","","x-ray","0.71073","MoKα","","0.0732","0.051","","","0.1134","0.131","","","","","","1.053","","","","has coordinates","257658","2020-10-21","18:00:00",""
"7059322","15.4094","0.0013","16.5616","0.0014","46.034","0.004","90","","90","","90","","11748.1","1.7","273","2","273","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","Cobalt-organic Compound","","","- C14 H12 Co0.5 N2 O3 S2 -","- C14 H12 Co0.5 N2 O3 S2 -","- C448 H384 Co16 N64 O96 S64 -","32","1","","Daga, Pooja; Majee, Prakash; Singha, Debal Kanti; Manna, Priyanka; Hui, Sayani; Ghosh, Ananta Kumar; Mahata, Partha; Mondal, Sudip Kumar","Dramatic luminescence signal from a Co(ii)-based metal‒organic compound due to the construction of charge-transfer bands with Al3+ and Fe3+ ions in water: steady-state and time-resolved spectroscopic studies","New Journal of Chemistry","2020","44","11","4376","4385","10.1039/D0NJ00295J","","","0.71073","MoKα","","0.0601","0.0458","","","0.1129","0.1227","","","","","","0.896","","","","has coordinates","257893","2020-10-21","18:00:00",""
"7059323","26.8502","0.0016","26.8502","0.0016","16.7797","0.0012","90","","90","","90","","12097","1.3","150","2","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C80 H104 Gd4 N16 O20 -","- C80 H104 Gd4 N16 O20 -","- C320 H416 Gd16 N64 O80 -","4","0.25","","Wang, Wen-Min; Wang, Mei-Jiao; Hao, Sha-Sha; Shen, Qin-Yu; Wang, Mei-Ling; Liu, Qiao-Ling; Guan, Xiao-Fen; Zhang, Xiu-Tang; Wu, Zhi-Lei","‘Windmill’-shaped LnIII4 (LnIII = Gd and Dy) clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2020","44","11","4631","4638","10.1039/C9NJ05317D","","","0.71073","MoKα","","0.1028","0.0558","","","0.1485","0.183","","","","","","1.03","","","","has coordinates","257887","2020-10-21","18:00:00",""
"7059324","26.902","0.0014","26.902","0.0014","13.9514","0.0009","90","","90","","90","","10096.9","1","150","2","150.01","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C88 H124 Dy4 N16 O24 -","- C88 H124 Dy4 N16 O24 -","- C352 H496 Dy16 N64 O96 -","4","0.25","","Wang, Wen-Min; Wang, Mei-Jiao; Hao, Sha-Sha; Shen, Qin-Yu; Wang, Mei-Ling; Liu, Qiao-Ling; Guan, Xiao-Fen; Zhang, Xiu-Tang; Wu, Zhi-Lei","‘Windmill’-shaped LnIII4 (LnIII = Gd and Dy) clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2020","44","11","4631","4638","10.1039/C9NJ05317D","","","0.71073","MoKα","","0.1627","0.0856","","","0.2116","0.2783","","","","","","1.092","","","","has coordinates,has disorder","257887","2020-10-21","18:00:00",""
"7059325","5.6782","0.0002","11.7351","0.0004","12.7603","0.0004","115.226","0.0009","101.818","0.001","93.6185","0.0011","741.94","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Fujita215-2","","","- C31 H33 N O12 -","- C31 H33 N O12 -","- C31 H33 N O12 -","1","1","","Fujita, Hikaru; Zhang, Yunlong; Wu, Zhiyuan; Lindsey, Jonathan S.","Chromogenic agents built around a multifunctional double-triazine framework for enzymatically triggered cross-linking under physiological conditions","New Journal of Chemistry","2020","44","10","3856","3867","10.1039/C9NJ06187H","","","0.71073","MoKα","","0.0328","0.0291","","","0.0691","0.071","","","","","","1.024","","","","has coordinates","257656","2020-10-21","18:00:00",""
"7059326","11.1399","0.0009","11.1399","0.0009","30.495","0.005","90","","90","","120","","3277.3","0.7","296","2","296.15","","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C H38 B24 K15 N2 Na O68 -","- C H37.9998 B24 K15 N2 Na O67.998 -","- C2 H75.9996 B48 K30 N4 Na2 O135.996 -","2","0.166667","","Cao, Yuchen; Zhang, Bingbing; Liu, Hongkun; Li, Danni; Wang, Ying","NaK15[B4O5(OH)4]6(NO2)2(CO3)·7H2O: assembly of an unprecedented mixed anion inorganic compound via a facile hydrothermal route","New Journal of Chemistry","2020","44","11","4253","4256","10.1039/D0NJ00249F","","","0.71073","MoKα","","0.0384","0.0316","","","0.0801","0.0844","","","","","","1.106","","","","has coordinates,has disorder","257891","2020-10-21","18:00:00",""
"7059327","7.7206","0.0015","13.742","0.003","14.038","0.003","94.322","0.009","90.117","0.009","90.02","0.009","1485.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","2","","Kundu, Arijit; Bhattacharyya, Bhaswati; Dhara, Kaliprasanna; Paul, Subhabrata; Majumder, Indira; Kundu, Rita","An unorthodox metal-free synthesis of dihydro-6H-quinoline-5-ones in ethanol/water using a non-nucleophilic base and their cytotoxic studies on human cancer cell line","New Journal of Chemistry","2020","44","12","4898","4906","10.1039/C9NJ06346C","","","0.71073","MoKα","","0.0845","0.0662","","","0.1859","0.2086","","","","","","1.025","","","","has coordinates","257895","2020-10-21","18:00:00",""
"7059328","9.986","0.0006","11.5723","0.0007","18.8463","0.0011","90","","98.713","0.002","90","","2152.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C100 H112 O16 -","4","1","","Kundu, Arijit; Bhattacharyya, Bhaswati; Dhara, Kaliprasanna; Paul, Subhabrata; Majumder, Indira; Kundu, Rita","An unorthodox metal-free synthesis of dihydro-6H-quinoline-5-ones in ethanol/water using a non-nucleophilic base and their cytotoxic studies on human cancer cell line","New Journal of Chemistry","2020","44","12","4898","4906","10.1039/C9NJ06346C","","","0.71073","MoKα","","0.0728","0.0493","","","0.1354","0.1525","","","","","","1.029","","","","has coordinates","257895","2020-10-21","18:00:00",""
"7059329","27.476","0.004","16.376","0.003","18.658","0.003","90","","126.789","0.003","90","","6723.2","1.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cd Cl4 N4 -","- C32 H38 Cd Cl4 N4 -","- C256 H304 Cd8 Cl32 N32 -","8","1","","Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl","Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10)","New Journal of Chemistry","2020","44","11","4311","4318","10.1039/D0NJ00087F","","","0.71073","MoKα","","0.0757","0.0369","","","0.0616","0.0731","","","","","","1.019","","","","has coordinates,has disorder","257892","2020-10-21","18:00:00",""
"7059330","32.023","0.003","22.025","0.002","28.035","0.003","90","","90","","90","","19773","3","223","2","222.98","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C112 H146 Cl16 N66 Na2 O45 Zn4 -","- C112 H114 Cl16 N65.5 Na2 O40 Zn4 -","- C448 H456 Cl64 N262 Na8 O160 Zn16 -","4","0.25","","Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl","Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10)","New Journal of Chemistry","2020","44","11","4311","4318","10.1039/D0NJ00087F","","","0.71073","MoKα","","0.0989","0.0845","","","0.2562","0.2777","","","","","","1.021","","","","has coordinates,has disorder","257892","2020-10-21","18:00:00",""
"7059331","20.6911","0.0004","32.6874","0.0006","20.6631","0.0004","90","","100.9","0.001","90","","13723.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H79 Cd3 Cl11 N34 O20 -","- C60 H60 Cd3 Cl11 N33 O16 -","- C240 H240 Cd12 Cl44 N132 O64 -","4","1","","Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl","Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10)","New Journal of Chemistry","2020","44","11","4311","4318","10.1039/D0NJ00087F","","","1.54178","CuKα","","0.0594","0.0562","","","0.1762","0.18","","","","","","1.071","","","","has coordinates,has disorder","257892","2020-10-21","18:00:00",""
"7059332","18.023","0.003","28.059","0.004","18.04","0.003","90","","118.573","0.006","90","","8012","2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H89 La2 N15 O18 -","- C74 H89 La2 N15 O18 -","- C296 H356 La8 N60 O72 -","4","1","","Hou, Wei; Wang, Gang; Wu, Xiaojing; Sun, Shuoyi; Zhao, Chunyang; Liu, Wei-Sheng; Pan, Fuxing","Lanthanide clusters as highly efficient catalysts regarding carbon dioxide activation","New Journal of Chemistry","2020","44","13","5019","5022","10.1039/C9NJ05831A","","","1.54178","CuKα","","0.0589","0.0496","","","0.1265","0.1337","","","","","","1.027","","","","has coordinates,has disorder","257806","2020-10-21","18:00:00",""
"7059333","17.7253","0.0015","27.7358","0.0015","17.9572","0.0017","90","","117.705","0.011","90","","7816.1","1.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 N14 Nd2 O18 -","- C72 H86 N14 Nd2 O18 -","- C288 H344 N56 Nd8 O72 -","4","1","","Hou, Wei; Wang, Gang; Wu, Xiaojing; Sun, Shuoyi; Zhao, Chunyang; Liu, Wei-Sheng; Pan, Fuxing","Lanthanide clusters as highly efficient catalysts regarding carbon dioxide activation","New Journal of Chemistry","2020","44","13","5019","5022","10.1039/C9NJ05831A","","x-ray","0.71073","MoKα","","0.1068","0.0725","","","0.1306","0.1475","","","","","","1.071","","","","has coordinates,has disorder","257806","2020-10-21","18:00:00",""
"7059334","17.8528","0.0008","27.9296","0.0011","17.874","0.0008","90","","118.089","0.002","90","","7862.6","0.6","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H89 N15 O18 Sm2 -","- C74 H89 N15 O18 Sm2 -","- C296 H356 N60 O72 Sm8 -","4","1","","Hou, Wei; Wang, Gang; Wu, Xiaojing; Sun, Shuoyi; Zhao, Chunyang; Liu, Wei-Sheng; Pan, Fuxing","Lanthanide clusters as highly efficient catalysts regarding carbon dioxide activation","New Journal of Chemistry","2020","44","13","5019","5022","10.1039/C9NJ05831A","","","0.71073","MoKα","","0.0776","0.0466","","","0.1057","0.1216","","","","","","1.068","","","","has coordinates,has disorder","257806","2020-10-21","18:00:00",""
"7059335","11.1941","0.0006","12.9126","0.0007","16.5167","0.0009","90","","93.965","0.005","90","","2381.7","0.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Co N3 O4 -","- C29 H24 Co N3 O4 -","- C116 H96 Co4 N12 O16 -","4","1","","Aguilar, Carlos Alberto Huerta; Narayanan, Jayanthi; López, José Abraham Balderas; Flores-Alamo, Marcos; Contreras, Enrique Fernando Velázquez; Gastélum, Karla Alejandra López; Alonzo, Fernando Rocha; Cabrera, Cristian Brayan Palacios; Cuevas, Alan Javier Santiago","Enhanced photocatalytic degradation of 2-thiobenzimidazole by the tris(8-quinolinolato)cobalt(iii) complex through peroxide adduct formation: theoretical and experimental investigations","New Journal of Chemistry","2020","44","12","4786","4797","10.1039/C9NJ04027G","","","0.71073","MoKα","","0.0877","0.0539","","","0.1116","0.1298","","","","","","1.027","","","","has coordinates","257897","2020-10-21","18:00:00",""
"7059336","8.9037","0.0001","21.8489","0.0003","7.864","0.0001","90","","100.688","0.001","90","","1503.29","0.03","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Bera, Anirban; Ali, Sk Asraf; Manna, Susanta Kumar; Ikbal, Mohammed; Misra, Sandip; Saha, Amit; Samanta, Shubhankar","A solvent- and catalyst-free tandem reaction: synthesis, and photophysical and biological applications of isoindoloquinazolinones","New Journal of Chemistry","2020","44","11","4324","4331","10.1039/C9NJ05808G","","","1.54184","","","0.038872","0.037151","","","","0.098534","","","","","","1.0443","","","","has coordinates","257888","2020-10-21","18:00:00",""
"7059337","13.2175","0.0005","13.7136","0.0005","16.328","0.0006","77.35","0.001","75.959","0.001","77.659","0.001","2760.87","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H52 Mo24 N30 O82 P2 -","- C45 H48 Mo24 N30 O82 P2 -","- C45 H48 Mo24 N30 O82 P2 -","1","0.5","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.0405","0.0279","","","0.0625","0.0668","","","","","","1.036","","","","has coordinates,has disorder","257811","2020-10-21","18:00:00",""
"7059338","13.0834","0.0006","13.267","0.0006","27.2938","0.0012","90","","90.027","0.001","90","","4737.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Ag Mo12 N10 O42 P -","- C15 H20 Ag Mo12 N10 O42 P -","- C60 H80 Ag4 Mo48 N40 O168 P4 -","4","1","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.0382","0.0284","","","0.0592","0.0625","","","","","","1.014","","","","has coordinates,has disorder","257811","2020-10-21","18:00:00",""
"7059339","13.2392","0.0009","13.5007","0.0009","16.4862","0.0011","92.217","0.002","91.518","0.002","100.322","0.002","2895.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H60 Ag4 Mo24 N30 O82 P2 -","- C51 H54 Ag4 Mo24 N30 O82 P2 -","- C51 H54 Ag4 Mo24 N30 O82 P2 -","1","0.5","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.1376","0.056","","","0.0934","0.1245","","","","","","0.973","","","","has coordinates,has disorder","257811","2020-10-21","18:00:00",""
"7059340","10.7949","0.0005","12.2875","0.0006","13.5197","0.0006","75.981","0.001","67.883","0.001","75.658","0.001","1587.22","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag3 Mo12 N20 O40 P -","- C30 H28 Ag3 Mo12 N20 O40 P -","- C30 H28 Ag3 Mo12 N20 O40 P -","1","0.5","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.0562","0.0442","","","0.092","0.0992","","","","","","1.025","","","","has coordinates","257811","2020-10-21","18:00:00",""
"7059341","8.503","0.0005","10.8824","0.0008","11.7661","0.001","114.768","0.008","90.404","0.006","92.966","0.005","986.78","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cu N4 O2 -","- C41.9994 H47.9982 Cu N4 O2 -","- C41.9994 H47.9982 Cu N4 O2 -","1","0.5","","Nasibipour, Mina; Safaei, Elham; Wrzeszcz, Grzegorz; Wojtczak, Andrzej","Tuning of the redox potential and catalytic activity of a new Cu(ii) complex by o-iminobenzosemiquinone as an electron-reservoir ligand","New Journal of Chemistry","2020","44","11","4426","4439","10.1039/C9NJ06396J","","","0.71073","MoKα","","0.0799","0.0554","","","0.1439","0.1741","","","","","","1.003","","","","has coordinates,has disorder","257890","2020-10-21","18:00:00",""
"7059342","12.179","0.0006","12.3643","0.0003","12.9592","0.0004","66.866","0.003","84.414","0.003","75.822","0.003","1739.88","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cl2 N6 O Pt -","- C30 H36 Cl2 N6 O Pt -","- C60 H72 Cl4 N12 O2 Pt2 -","2","1","","Serebryanskaya, Tatiyana V.; Kinzhalov, Mikhail A.; Bakulev, Vladimir; Alekseev, Georgii; Andreeva, Anastasiya; Gushchin, Pavel V.; Protas, Aleksandra V.; Smirnov, Andrey S.; Panikorovskii, Taras L.; Lippmann, Petra; Ott, Ingo; Verbilo, Cyril M.; Zuraev, Alexander V.; Bunev, Alexander S.; Boyarskiy, Vadim P.; Kasyanenko, Nina A.","Water soluble palladium(ii) and platinum(ii) acyclic diaminocarbene complexes: solution behavior, DNA binding, and antiproliferative activity","New Journal of Chemistry","2020","44","15","5762","5773","10.1039/D0NJ00060D","","x-ray","1.54184","CuKα","","0.0706","0.0643","","","0.1723","0.1763","","","","","","1.073","","","","has coordinates","257844","2020-10-21","18:00:00",""
"7059343","12.1819","0.0008","12.3676","0.0007","12.8999","0.0007","66.979","0.005","84.114","0.005","75.288","0.005","1730.08","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 Br6 Cl4 N12 O2 Pd2 -","- C63 H78 Br6 Cl4 N12 O2 Pd2 -","- C63 H78 Br6 Cl4 N12 O2 Pd2 -","1","0.5","","Serebryanskaya, Tatiyana V.; Kinzhalov, Mikhail A.; Bakulev, Vladimir; Alekseev, Georgii; Andreeva, Anastasiya; Gushchin, Pavel V.; Protas, Aleksandra V.; Smirnov, Andrey S.; Panikorovskii, Taras L.; Lippmann, Petra; Ott, Ingo; Verbilo, Cyril M.; Zuraev, Alexander V.; Bunev, Alexander S.; Boyarskiy, Vadim P.; Kasyanenko, Nina A.","Water soluble palladium(ii) and platinum(ii) acyclic diaminocarbene complexes: solution behavior, DNA binding, and antiproliferative activity","New Journal of Chemistry","2020","44","15","5762","5773","10.1039/D0NJ00060D","","x-ray","1.54184","CuKα","","0.0776","0.0707","","","0.1933","0.207","","","","","","1.02","","","","has coordinates,has disorder","257844","2020-10-21","18:00:00",""
"7059344","7.4088","0.0003","11.118","0.0005","28.8723","0.0013","90","","90.7604","0.0014","90","","2378.03","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl N2 O4 -","- C27 H23 Cl N2 O4 -","- C108 H92 Cl4 N8 O16 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Selective construction of functionalized chromeno[3,4-b]pyrroles and benzo[c]chromenes via a K3PO4 promoted three-component reaction","New Journal of Chemistry","2020","44","15","5720","5724","10.1039/C9NJ05693A","","","0.71073","MoKα","","0.0682","0.0421","","","0.0871","0.0978","","","","","","1.05","","","","has coordinates","257846","2020-10-21","18:00:00",""
"7059345","8.371","0.003","22.101","0.01","22.37","0.014","90","","90.02","","90","","4139","4","297.3","0.5","297.3","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br N3 O4 V -","- C18 H21 Br N3 O4 V -","- C144 H168 Br8 N24 O32 V8 -","8","2","","Kurbah, Sunshine Dominic; Lal, Ram A.","Bioinspired catalysis and bromoperoxidase like activity of a multistimuli-responsive supramolecular metallogel: supramolecular assembly triggered by pi‒pi stacking and hydrogen bonding interactions","New Journal of Chemistry","2020","44","14","5410","5418","10.1039/C9NJ05732C","","x-ray","0.71073","MoKα","","0.1944","0.1056","","","0.2507","0.2989","","","","","","1.061","","","","has coordinates","257808","2020-10-21","18:00:00",""
"7059346","11.7767","0.0016","9.1218","0.0013","9.7623","0.0014","90","","106.287","0.003","90","","1006.6","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C40 H44 N4 O8 S4 -","4","1","","Channar, Pervaiz Ali; Saeed, Aamer; Larik, Fayaz Ali; Flörke, Ulrich; El-Seedi, Hesham; Rodríguez Pirani, Lucas S.; Erben, Mauricio F.","An intramolecular 1,5-chalcogen bond on the conformational preference of carbonyl thiocarbamate species","New Journal of Chemistry","2020","44","14","5243","5253","10.1039/C9NJ06417F","","","0.71073","MoKα","","0.0387","0.0344","","","0.0945","0.0982","","","","","","1.025","","","","has coordinates","257810","2020-10-21","18:00:00",""
"7059347","11.7032","0.0018","8.7287","0.0013","9.8686","0.0015","90","","111.415","0.003","90","","938.5","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F N O2 S -","- C9 H8 F N O2 S -","- C36 H32 F4 N4 O8 S4 -","4","1","","Channar, Pervaiz Ali; Saeed, Aamer; Larik, Fayaz Ali; Flörke, Ulrich; El-Seedi, Hesham; Rodríguez Pirani, Lucas S.; Erben, Mauricio F.","An intramolecular 1,5-chalcogen bond on the conformational preference of carbonyl thiocarbamate species","New Journal of Chemistry","2020","44","14","5243","5253","10.1039/C9NJ06417F","","","0.71073","MoKα","","0.038","0.0328","","","0.0865","0.0902","","","","","","1.036","","","","has coordinates","257810","2020-10-21","18:00:00",""
"7059348","9.8979","0.0002","14.8359","0.0004","7.3795","0.0001","90","","105.826","0.001","90","","1042.56","0.04","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron methylpyridine pentacyanonitrosilferrates (II)","","- C17 Fe2 N8 O -","- C17 Fe2 N8 O -","- C34 Fe4 N16 O2 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059349","21.2004","0.0002","15.0384","0.0002","7.2541","0.0001","90","","90","","90","","2312.75","0.05","300","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","iron Acetylpyridine pentacyanonitrosilferrates (II)","","- C19 Fe2 N8 O3 -","- C19 Fe2 N8 O3 -","- C76 Fe8 N32 O12 -","4","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059350","7.3006","0.0001","14.8714","0.0002","9.7573","0.0002","90","","102.062","0.001","90","","1035.96","0.03","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron pyridinecarboxaldehyde pentacyanonitrosilferrates (II)","","- C17 Fe2 N8 O3 -","- C17 Fe2 N8 O3 -","- C34 Fe4 N16 O6 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059351","7.2712","0.0002","15.0207","0.0004","10.7144","0.0002","90","","110.2","0.01","90","","1098.23","0.08","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron vinylpyridine pentacyanonitrosilferrates (II)","","- C19 Fe2 N8 O -","- C19 Fe2 N8 O -","- C38 Fe4 N16 O2 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059352","10.685","0.003","13.039","0.003","13.504","0.003","104.075","0.001","103.729","0.003","108.671","0.003","1624","0.7","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","(E)-1-(2-(anthracen-9-yl)vinyl)-1-methyl-2,3,4,5-tetraphenyl-1H-Silole","","- C45 H34 Si -","- C45 H34 Si -","- C90 H68 Si2 -","2","1","","Cao, Ruiqi; Ai, Liqing; Yang, Hongxia; Li, Shuhong; Xu, Caihong","Aggregation-tuned dual emission of silole derivatives: synthesis, crystal structure, and photophysical properties","New Journal of Chemistry","2020","44","13","5049","5055","10.1039/D0NJ00341G","","","0.71073","MoKα","","0.0649","0.0582","","","0.1751","0.1803","","","","","","1.3","","","","has coordinates","257805","2020-10-21","18:00:00",""
"7059353","11.17","0.002","12.894","0.003","17.928","0.004","73.46","0.03","73.56","0.03","76.03","0.03","2337.4","1","173","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-methyl-2, 3, 4, 5-tetraphenyl-1-(4-(1, 2, 2-triphenylvinyl)styryl)-1H-silole","","- C61 H52 O Si -","- C57 H44 Si -","- C114 H88 Si2 -","2","1","","Cao, Ruiqi; Ai, Liqing; Yang, Hongxia; Li, Shuhong; Xu, Caihong","Aggregation-tuned dual emission of silole derivatives: synthesis, crystal structure, and photophysical properties","New Journal of Chemistry","2020","44","13","5049","5055","10.1039/D0NJ00341G","","","0.71073","MoKα","","0.0891","0.0765","","","0.147","0.1536","","","","","","1.142","","","","has coordinates","257805","2020-10-21","18:00:00",""
"7059354","10.39","0.003","11.261","0.003","16.275","0.004","97.171","0.002","103.23","0.003","111.096","0.003","1683.8","0.8","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","(E)-1-methyl-2,3,4,5-tetraphenyl-1-(2-(pyren-1-yl)vinyl-1H-silole","","- C47 H34 Si -","- C47 H34 Si -","- C94 H68 Si2 -","2","1","","Cao, Ruiqi; Ai, Liqing; Yang, Hongxia; Li, Shuhong; Xu, Caihong","Aggregation-tuned dual emission of silole derivatives: synthesis, crystal structure, and photophysical properties","New Journal of Chemistry","2020","44","13","5049","5055","10.1039/D0NJ00341G","","","0.71073","MoKα","","0.0665","0.0572","","","0.1156","0.12","","","","","","1.134","","","","has coordinates","257805","2020-10-21","18:00:00",""
"7059355","14.2281","0.0007","13.2389","0.0005","19.1915","0.0009","90","","109.357","0.004","90","","3410.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H12 F18 N3 O6 Sm -","- C27 H12 F18 N3 O6 Sm -","- C108 H48 F72 N12 O24 Sm4 -","4","1","","Ilmi, Rashid; Kansız, Sevgi; Al-Rasbi, Nawal K.; Dege, Necmi; Raithby, Paul R.; Khan, Muhammad S.","Towards white light emission from a hybrid thin film of a self-assembled ternary samarium(iii) complex","New Journal of Chemistry","2020","44","15","5673","5683","10.1039/C9NJ06287D","","","0.71073","MoKα","","0.0546","0.0426","","","0.1116","0.1176","","","","","","1.022","","","","has coordinates","257841","2020-10-21","18:00:00",""
"7059356","17.9271","0.0009","13.5236","0.0007","22.1821","0.0011","90","","98.955","0.001","90","","5312.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H124 Cu6 N12 O13 P6 S12 -","- C79 H124 Cu6 N12 O13 P6 S12 -","- C158 H248 Cu12 N24 O26 P12 S24 -","2","1","","Metlushka, Kirill E.; Sadkova, Dilyara N.; Nikitina, Kristina A.; Pashagin, Alexander V.; Khrizanforov, Mikhail N.; Budnikova, Yulia H.; Morozov, Vladimir I.; Islamov, Daut R.; Latypov, Shamil K.; Kataeva, Olga N.; Alfonsov, Vladimir A.","Synthesis of the first chiral polynuclear copper(i) complex based on (R)-1-(1-phenyl)ethyl-3-(O,O-diethylthiophosphoryl)thiourea and its characterization in the solid state and solution","New Journal of Chemistry","2020","44","8","3224","3231","10.1039/C9NJ05683A","","","0.71073","MoKα","","0.0469","0.0419","","","0.1051","0.1082","","","","","","1.066","","","","has coordinates,has disorder","257693","2020-10-21","18:00:00",""
"7059357","8.5903","0.001","11.9318","0.0012","13.5523","0.0011","74.564","0.008","84.335","0.008","71.586","0.01","1270.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Cl2 Cu2 N10 O10 -","- C48 H34 Cl2 Cu2 N10 O10 -","- C48 H34 Cl2 Cu2 N10 O10 -","1","0.5","","Xi, Wei; Song, Fu-Qiang; Xia, Xue-Li; Song, Xue-Qin","Tuned structure and DNA binding properties of metal complexes based on a new 4-acylpyrazolone derivative","New Journal of Chemistry","2020","44","6","2281","2290","10.1039/C9NJ05948B","","","0.71","MoKα","","0.0692","0.0533","","","0.1372","0.1555","","","","","","1.032","","","","has coordinates","257760","2020-10-21","18:00:00",""
"7059358","10.714","0.0005","11.3202","0.0006","11.9538","0.0007","114.677","0.006","91.405","0.004","102.244","0.004","1276.96","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H50 Cu2 N10 O14 -","- C52 H50 Cu2 N10 O14 -","- C52 H50 Cu2 N10 O14 -","1","0.5","","Xi, Wei; Song, Fu-Qiang; Xia, Xue-Li; Song, Xue-Qin","Tuned structure and DNA binding properties of metal complexes based on a new 4-acylpyrazolone derivative","New Journal of Chemistry","2020","44","6","2281","2290","10.1039/C9NJ05948B","","","0.71073","MoKα","","0.0489","0.0415","","","0.1278","0.1392","","","","","","0.968","","","","has coordinates","257760","2020-10-21","18:00:00",""
"7059359","12.161","0.002","12.523","0.003","17.883","0.004","90","","95.07","0.03","90","","2712.8","1","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Mn N5 O8 -","- C26 H26 Mn N5 O8 -","- C104 H104 Mn4 N20 O32 -","4","1","","Xi, Wei; Song, Fu-Qiang; Xia, Xue-Li; Song, Xue-Qin","Tuned structure and DNA binding properties of metal complexes based on a new 4-acylpyrazolone derivative","New Journal of Chemistry","2020","44","6","2281","2290","10.1039/C9NJ05948B","","","0.71073","MoKα","","0.1323","0.0618","","","0.13","0.1433","","","","","","1.104","","","","has coordinates","257760","2020-10-21","18:00:00",""
"7059360","7.3274","0.0004","11.8379","0.0006","13.4518","0.0007","91.845","0.001","90.549","0.001","106.416","0.001","1118.46","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl2 Fe N3 O3 -","- C22 H24 Cl2 Fe N3 O3 -","- C44 H48 Cl4 Fe2 N6 O6 -","2","1","","Vailati, Andrei F.; Huelsmann, Ricardo D.; Martendal, Edmar; Bortoluzzi, Adailton J.; Xavier, Fernando R.; Peralta, Rosely A.","Multivariate analysis applied to oxidation of cyclohexane and benzyl alcohol promoted by mononuclear iron and copper complexes","New Journal of Chemistry","2020","44","6","2514","2526","10.1039/C9NJ05534G","","","0.71073","MoKα","","0.0534","0.0332","","","0.0729","0.0811","","","","","","1.007","","","","has coordinates","257762","2020-10-21","18:00:00",""
"7059361","8.2885","0.0003","12.7238","0.0005","19.7297","0.0007","90","","100.98","0.001","90","","2042.63","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl Cu N3 O3 -","- C21 H22 Cl Cu N3 O3 -","- C84 H88 Cl4 Cu4 N12 O12 -","4","1","","Vailati, Andrei F.; Huelsmann, Ricardo D.; Martendal, Edmar; Bortoluzzi, Adailton J.; Xavier, Fernando R.; Peralta, Rosely A.","Multivariate analysis applied to oxidation of cyclohexane and benzyl alcohol promoted by mononuclear iron and copper complexes","New Journal of Chemistry","2020","44","6","2514","2526","10.1039/C9NJ05534G","","","0.71073","MoKα","","0.0512","0.0345","","","0.0769","0.0836","","","","","","1.057","","","","has coordinates","257762","2020-10-21","18:00:00",""
"7059362","7.768","0.004","7.768","0.004","5.56","0.006","90","","90","","90","","335.5","0.4","296","2","296","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- Cs0.36 F7 K2.64 Si -","- Cs0.36 F7 K2.64 Si -","- Cs0.72 F14 K5.28 Si2 -","2","0.125","","Huang, Shuzhao; Gao, Le; Yu, Feng","K2.64Cs0.36SiF7: a new fluorosilicate with a trans-perovskite structure","New Journal of Chemistry","2020","44","7","2727","2732","10.1039/C9NJ06037E","","","0.71073","MoKα","","0.0571","0.0448","","","0.1016","0.1068","","","","","","1.086","","","","has coordinates","257815","2020-10-21","18:00:00",""
"7059363","8.2138","0.0004","11.5106","0.0006","16.237","0.0009","93.013","0.004","96.577","0.004","93.489","0.004","1519.46","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cl2 N4 Se2 Zn -","- C30 H28 Cl2 N4 Se2 Zn -","- C60 H56 Cl4 N8 Se4 Zn2 -","2","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0369","0.0306","","","0.0772","0.0824","","","","","","1.0632","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059364","12.6182","0.0009","12.6356","0.0009","15.6832","0.0012","67.891","0.007","68.825","0.007","89.725","0.006","2135.2","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cl2 N8 O8 Se4 Zn -","- C28 H48 Cl2 N8 O8 Se4 Zn -","- C56 H96 Cl4 N16 O16 Se8 Zn2 -","2","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0948","0.0775","","","0.2058","0.2492","","","","","","1.0564","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059365","14.3427","0.0006","14.0781","0.0005","21.6645","0.0008","90","","90","","90","","4374.5","0.3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Br2 N4 Se2 Zn -","- C14 H24 Br2 N4 Se2 Zn -","- C112 H192 Br16 N32 Se16 Zn8 -","8","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","x-ray","1.54184","CuKα","","0.1694","0.1307","","","0.3611","0.4641","","","","","","1.6618","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059366","12.4234","0.0002","12.4234","0.0002","27.7432","0.0011","90","","90","","90","","4281.9","0.2","293","2","293","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C28 H48 B2 F10 N8 Se4 Zn -","- C28 H48 B2 F10 N8 Se4 Zn -","- C112 H192 B8 F40 N32 Se16 Zn4 -","4","0.25","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0695","0.0536","","","0.1478","0.1735","","","","","","1.0413","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059367","8.355","0.0007","11.584","0.0008","16.3071","0.0011","92.9","0.006","96.6","0.006","92.887","0.006","1563.3","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Br N2 Se Zn0.5 -","- C15 H14 Br N2 Se Zn0.5 -","- C60 H56 Br4 N8 Se4 Zn2 -","4","2","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0975","0.0691","","","0.2165","0.3002","","","","","","1.1837","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059368","13.8573","0.0008","23.9482","0.0014","14.3941","0.0008","90","","105.322","0.002","90","","4607","0.5","293.15","","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Gd2 N6 Ni2 O20 -","- C26 H40 Cl2 Gd2 N6 Ni2 O20 -","- C104 H160 Cl8 Gd8 N24 Ni8 O80 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.099","0.0687","","","0.2064","0.2301","","","","","","1.026","","","","has coordinates,has disorder","257898","2020-10-21","18:00:00",""
"7059369","13.419","0.017","23.74","0.03","14.18","0.03","90","","103.61","0.03","90","","4390","12","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Dy2 N6 Ni2 O20 -","- C26 H40 Cl2 Dy2 N6 Ni2 O20 -","- C104 H160 Cl8 Dy8 N24 Ni8 O80 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.1183","0.0779","","","0.2168","0.2458","","","","","","1.122","","","","has coordinates","257898","2020-10-21","18:00:00",""
"7059370","13.421","","23.686","","14.348","","90","","100.79","","90","","4480.44","","295.97","","295.97","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Ho2 N6 Ni2 O20 -","- C26 H42 Cl2 Ho2 N6 Ni2 O20 -","- C104 H168 Cl8 Ho8 N24 Ni8 O80 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.0614","0.0391","","","0.0949","0.1039","","","","","","1.063","","","","has coordinates","257898","2020-10-21","18:00:00",""
"7059371","13.757","0.005","24.089","0.014","14.377","0.005","90","","104.228","0.01","90","","4618","4","298.17","","298.17","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 N6 Ni2 O20 Tb2 -","- C26 H40 Cl2 N6 Ni2 O20 Tb2 -","- C104 H160 Cl8 N24 Ni8 O80 Tb8 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.0788","0.0607","","","0.1787","0.194","","","","","","1.022","","","","has coordinates","257898","2020-10-21","18:00:00",""
"7059372","22.398","0.005","9.4469","0.0019","7.4776","0.0015","90","","90","","90","","1582.2","0.6","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 Cl2 O2 -","- C18 H16 Cl2 O2 -","- C72 H64 Cl8 O8 -","4","1","","Rahmatpour, Ali","Regioselective condensation of hydroxyaromatic compounds with 2,5-dimethoxytetrahydrofuran: facile one-pot synthesis of new substituted diaryl-fused 2,8-dioxabicyclo[3.3.2]nonanes comprising central ketal moieties","New Journal of Chemistry","2020","44","12","4834","4841","10.1039/C9NJ06232G","","","0.71073","MoKα","","0.0762","0.0447","","","0.0688","0.075","","","","","","0.894","","","","has coordinates","257894","2020-10-21","18:00:00",""
"7059373","7.782","0.005","9.41","0.005","11.461","0.005","87.598","0.005","83.605","0.005","77.477","0.005","814.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Cu N2 O10 S -","- C10 H20 Cu N2 O10 S -","- C20 H40 Cu2 N4 O20 S2 -","2","1","","Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.","Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies","New Journal of Chemistry","2020","44","14","5473","5488","10.1039/D0NJ00075B","","","0.71073","MoKα","","0.0303","0.0277","","","0.0733","0.0749","","","","","","1.075","","","","has coordinates","257809","2020-10-21","18:00:00",""
"7059374","17.1442","0.0015","8.3999","0.0008","12.5573","0.0011","90","","94.503","0.004","90","","1802.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Mn N4 O8 S -","- C12 H16 Mn N4 O8 S -","- C48 H64 Mn4 N16 O32 S4 -","4","1","","Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.","Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies","New Journal of Chemistry","2020","44","14","5473","5488","10.1039/D0NJ00075B","","","0.71073","MoKα","","0.0514","0.0499","","","0.1483","0.1498","","","","","","1.099","","","","has coordinates","257809","2020-10-21","18:00:00",""
"7059375","44.107","0.004","9.4987","0.0008","30.597","0.003","90","","106.471","0.004","90","","12293","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]","","","- C74 H48 Cu2 N8 -","- C74 H48 Cu2 N8 -","- C592 H384 Cu16 N64 -","8","1","","Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi","Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP","New Journal of Chemistry","2020","44","14","5285","5292","10.1039/D0NJ00207K","","","1.54178","CuKα","","0.1115","0.0676","","","0.1864","0.2362","","","","","","1.113","","","","has coordinates","257814","2020-10-21","18:00:00",""
"7059376","21.762","0.002","21.7317","0.0016","9.6199","0.001","90","","90","","90","","4549.5","0.7","150","2","150","2","","","","","","","","6","C c c m","-C 2 2c","66","Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]","","","- C52 H38 Cu2 N6 O S -","- C52 H38 Cu2 N6 O S -","- C208 H152 Cu8 N24 O4 S4 -","4","0.25","","Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi","Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP","New Journal of Chemistry","2020","44","14","5285","5292","10.1039/D0NJ00207K","","","0.71073","MoKα","","0.0688","0.068","","","0.1942","0.1952","","","","","","1.085","","","","has coordinates,has disorder","257814","2020-10-21","18:00:00",""
"7059377","9.0848","0.0019","15.239","0.003","19.032","0.003","90","","90","","90","","2634.9","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]","","","- C30 H29 Cu N4 O2 -","- C30 H29 Cu N4 O2 -","- C120 H116 Cu4 N16 O8 -","4","1","","Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi","Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP","New Journal of Chemistry","2020","44","14","5285","5292","10.1039/D0NJ00207K","","","0.71073","MoKα","","0.0663","0.0449","","","0.0928","0.1016","","","","","","1.018","","","","has coordinates","257814","2020-10-21","18:00:00",""
"7059378","34.4256","0.0014","7.6022","0.0003","14.6569","0.0006","90","","99.167","0.006","90","","3786.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 N4 O6 Sn -","- C42 H40 N4 O6 Sn -","- C168 H160 N16 O24 Sn4 -","4","0.5","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","","0.71073","MoKα","","0.0861","0.0432","","","0.0894","0.1096","","","","","","1.052","","","","has coordinates","257838","2020-10-21","18:00:00",""
"7059379","16.5566","0.0005","4.4701","0.0001","19.8415","0.0006","90","","111.27","0.007","90","","1368.43","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-hydroxynaphthylazo)benzoic acid","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","","0.71073","MoKα","","0.0988","0.0484","","","0.1053","0.1308","","","","","","1.019","","","","has coordinates","257838","2020-10-21","18:00:00",""
"7059380","8.511","0.0003","14.2959","0.0005","21.9517","0.0008","76.859","0.002","83.682","0.002","73.089","0.002","2485.74","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 N4 O8 Sn2 -","- C50 H58 N4 O8 Sn2 -","- C100 H116 N8 O16 Sn4 -","2","1","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","","0.71073","MoKα","","0.1436","0.0561","","","0.1016","0.151","","","","","","1.065","","","","has coordinates,has disorder","257838","2020-10-21","18:00:00",""
"7059381","12.1753","0.0001","13.8987","0.0001","15.6416","0.0001","103.64","0.001","90.895","0.001","103.259","0.001","2496.86","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C107 H124 N8 O14 Sn4 -","- C107 H124 N8 O14 Sn4 -","- C107 H124 N8 O14 Sn4 -","1","0.5","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","x-ray","0.71073","MoKα","","0.0319","0.0306","","","0.0811","0.0821","","","","","","1.052","","","","has coordinates,has disorder","257838","2020-10-21","18:00:00",""
"7059382","6.8258","0.0002","23.6441","0.0009","7.0643","0.0002","90","","108.576","0.001","90","","1080.71","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cl N8 O2 -","- C6 H9 Cl N8 O2 -","- C24 H36 Cl4 N32 O8 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0715","0.0524","","","0.0908","0.0976","","","","","","1.169","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059383","9.7415","0.0008","10.0524","0.0007","12.6642","0.001","85.927","0.002","77.591","0.002","69.175","0.002","1132.03","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N19 O8 -","- C12 H17 N19 O8 -","- C24 H34 N38 O16 -","2","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0887","0.0511","","","0.1089","0.1226","","","","","","1.05","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059384","12.4819","0.0013","5.2281","0.0005","14.6301","0.0019","90","","94.637","0.004","90","","951.59","0.18","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N8 O3 -","- C5 H8 N8 O3 -","- C20 H32 N32 O12 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.1259","0.0578","","","0.113","0.1398","","","","","","1.022","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059385","7.765","0.003","7.205","0.003","23.573","0.01","90","","94.77","0.015","90","","1314.3","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H15 N9 O5 -","- C5 H15 N9 O5 -","- C20 H60 N36 O20 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0718","0.043","","","0.0865","0.1005","","","","","","1.053","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059386","15.9751","0.0009","5.4951","0.0003","14.4991","0.0009","90","","103.913","0.002","90","","1235.46","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl N8 O6 -","- C6 H9 Cl N8 O6 -","- C24 H36 Cl4 N32 O24 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0415","0.0338","","","0.0719","0.0759","","","","","","1.077","","","","has coordinates,has disorder","257840","2020-10-21","18:00:00",""
"7059387","14.272","0.0013","18.403","0.002","20.5222","0.0019","90","","108.341","0.004","90","","5116.3","0.9","299","2","299","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H106 Au4 Cl10 F24 N16 P4 -","- C65 H106 Au4 Cl10 F24 N16 P4 -","- C130 H212 Au8 Cl20 F48 N32 P8 -","2","0.5","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.1408","0.0966","","","0.225","0.2553","","","","","","1.059","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059388","12.4565","0.0005","12.7075","0.0007","15.2901","0.0009","95.188","0.005","100.081","0.004","92.521","0.004","2368.7","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H44 Au B2 Br F8 N12 O -","- C42 H44 Au B2 Br F8 N12 O -","- C84 H88 Au2 B4 Br2 F16 N24 O2 -","2","1","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71069","MoKα","","0.0626","0.0488","","","0.1389","0.1487","","","","","","1.05","","","","has coordinates","257813","2020-10-21","18:00:00",""
"7059389","22.016","0.003","17.33","0.003","10.6014","0.0017","90","","116.972","0.002","90","","3604.9","1","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 Au F18 N9 O2 P3 -","- C22 H31 Au F18 N9 O2 P3 -","- C88 H124 Au4 F72 N36 O8 P12 -","4","0.5","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.044","0.0354","","","0.0934","0.0979","","","","","","1.046","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059390","25.004","0.002","10.2313","0.0008","15.9405","0.0015","90","","92.05","0.002","90","","4075.3","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H51 Au Br5 N9 -","- C32 H48 Au Br5 N9 -","- C128 H192 Au4 Br20 N36 -","4","0.5","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0368","0.026","","","0.061","0.0653","","","","","","0.923","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059391","11.0145","0.0002","11.6955","0.0002","19.4594","0.0004","91.277","0.002","91.719","0.002","117.298","0.003","2224.76","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H51 Au F18 N9 P3 -","- C32 H51 Au F18 N9 P3 -","- C64 H102 Au2 F36 N18 P6 -","2","1","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0461","0.0303","","","0.0713","0.0813","","","","","","0.866","","","","has coordinates","257813","2020-10-21","18:00:00",""
"7059392","9.281","0.003","14.603","0.004","20.213","0.006","90","","90.385","0.005","90","","2739.4","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H106 Au2 I18 N16 O -","- C64 H106 Au2 I18 N16 O -","- C64 H106 Au2 I18 N16 O -","1","0.25","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0708","0.0536","","","0.1493","0.1562","","","","","","1.006","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059393","10.2116","0.0007","11.6009","0.0008","14.6925","0.001","82.052","0.002","81.09","0.002","72.743","0.002","1634.24","0.19","101","2","100.91","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Au Cl3 N8 O4 S2 -","- C24 H40 Au Cl3 N8 O4 S2 -","- C48 H80 Au2 Cl6 N16 O8 S4 -","2","1","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0213","0.0179","","","0.0386","0.0398","","","","","","1.08","","","","has coordinates","257813","2020-10-21","18:00:00",""
"7059394","11.2697","0.0007","10.9408","0.0008","12.1483","0.0009","90","","108.229","0.005","90","","1422.71","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 Cu N5 O2 S -","- C11 H17 Cu N5 O2 S -","- C44 H68 Cu4 N20 O8 S4 -","4","1","","Avcu Altiparmak, Elif; Erdemir, Gökçe; Özdemir, Namık; Kuruca, Serap Erdem; Bal-Demirci, Tülay","Cu(ii) salen and 1,2,4-triazole complexes from thiosemicarbazone: synthesis, physicochemical and structural properties and cytotoxic activities","New Journal of Chemistry","2020","44","14","5333","5342","10.1039/C9NJ04455H","","","0.71073","MoKα","","0.0829","0.0463","","","0.1067","0.1211","","","","","","0.941","","","","has coordinates","257812","2020-10-21","18:00:00",""
"7059395","26.6117","0.0012","6.9913","0.0002","14.728","0.0007","90","","97.479","0.004","90","","2716.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cu2 N4 O4 -","- C32 H28 Cu2 N4 O4 -","- C128 H112 Cu8 N16 O16 -","4","0.5","","Avcu Altiparmak, Elif; Erdemir, Gökçe; Özdemir, Namık; Kuruca, Serap Erdem; Bal-Demirci, Tülay","Cu(ii) salen and 1,2,4-triazole complexes from thiosemicarbazone: synthesis, physicochemical and structural properties and cytotoxic activities","New Journal of Chemistry","2020","44","14","5333","5342","10.1039/C9NJ04455H","","","0.71073","MoKα","","0.0518","0.0346","","","0.0778","0.0824","","","","","","0.949","","","","has coordinates","257812","2020-10-21","18:00:00",""
"7059396","10.5855","0.0009","12.1032","0.001","15.3446","0.0013","72.036","0.002","74.699","0.002","86","0.002","1803.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Ag10.7 O48 P12 U6 -","- C36 H24 Ag10.706 O48 P12 U6 -","- C36 H24 Ag10.706 O48 P12 U6 -","1","0.5","","Bai, Ru; Chen, Lanhua; Zhang, Yugang; Chen, Long; Diwu, Juan; Wang, Xiao-Feng","The presence of mixed-valent silver in the uranyl phenylenediphosphonate framework","New Journal of Chemistry","2020","44","15","6037","6041","10.1039/D0NJ00573H","","","0.71073","MoKα","","0.0302","0.0284","","","0.0792","0.0805","","","","","","1.045","","","","has coordinates,has disorder","257839","2020-10-21","18:00:00",""
"7059397","5.7787","0.0006","8.8337","0.0008","20.223","0.002","90","","90","","90","","1032.33","0.18","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0538","0.0435","","","0.1006","0.1085","","","","","","1.102","","","","has coordinates,has disorder","257837","2020-10-21","18:00:00",""
"7059398","9.9577","0.0007","6.342","0.0004","14.3464","0.0012","90","","98.748","0.008","90","","895.46","0.11","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0768","0.0565","","","0.1458","0.1573","","","","","","1.11","","","","has coordinates,has disorder","257837","2020-10-21","18:00:00",""
"7059399","8.0723","0.0003","17.1909","0.0006","17.1065","0.0008","90","","98.515","0.004","90","","2347.7","0.16","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0682","0.0467","","","0.1133","0.1263","","","","","","1.074","","","","has coordinates","257837","2020-10-21","18:00:00",""
"7059400","9.8069","0.0004","10.0568","0.0005","12.781","0.0006","86.854","0.004","70.545","0.004","87.679","0.004","1186.44","0.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O6 -","- C28 H28 O6 -","- C56 H56 O12 -","2","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0668","0.0482","","","0.1157","0.1277","","","","","","1.031","","","","has coordinates,has disorder","257837","2020-10-21","18:00:00",""
"7059401","20.2852","0.0007","24.0027","0.0008","19.1159","0.0006","90","","91.595","0.001","90","","9303.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.66 H48.45 Br2 N10 Ni O4.56 -","- C44.659 H48.447 Br2 N10 Ni O4.5645 -","- C357.272 H387.576 Br16 N80 Ni8 O36.516 -","8","2","","Ivanova, A. D.; Korotaev, E. V.; Komarov, V. Yu.; Sheludyakova, L. A.; Varnek, V. A.; Lavrenova, L. G.","Spin-crossover in iron(ii) coordination compounds with 2,6-bis(benzimidazol-2-yl)pyridine","New Journal of Chemistry","2020","44","15","5834","5840","10.1039/D0NJ00474J","","","0.71073","MoKα","","0.1087","0.0567","","","0.1373","0.1612","","","","","","1.018","","","","has coordinates,has disorder","257842","2020-10-21","18:00:00",""
"7059402","4.5941","0.0013","8.419","0.002","8.95","0.003","90","","98.307","0.004","90","","342.53","0.17","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li Mg O P -","- Li0.5 Mg O5 P1.5 -","- Li2 Mg4 O20 P6 -","4","1","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.0316","0.0264","","","0.0717","0.075","","","","","","1.093","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059403","15.6","0.03","5.237","0.009","9.588","0.017","90","","90","","90","","783","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- K0 Mg O7 P2 Rb2 -","- Mg O7 P2 Rb2 -","- Mg4 O28 P8 Rb8 -","4","0.5","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.1659","0.0581","","","0.0942","0.1227","","","","","","0.936","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059404","7.881","0.0008","8.6992","0.0009","13.7382","0.0015","90","","90","","90","","941.87","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Cs Mg2 O10 P3 -","- Cs Mg2 O10 P3 -","- Cs4 Mg8 O40 P12 -","4","0.5","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.0277","0.0253","","","0.0643","0.0664","","","","","","1.074","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059405","9.7142","0.0007","11.5894","0.0009","13.6626","0.0011","68.974","0.003","77.628","0.003","80.197","0.003","1395.03","0.19","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cu N6 O13 Tb -","- C21 H25 Cu N6 O13 Tb -","- C42 H50 Cu2 N12 O26 Tb2 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0371","0.0309","","","0.0724","0.0771","","","","","","1.029","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059406","9.8895","0.001","11.1753","0.0011","13.2344","0.0012","69.215","0.003","78.355","0.003","79.291","0.003","1328.8","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cu N6 O13 Tb -","- C20 H23 Cu N6 O13 Tb -","- C40 H46 Cu2 N12 O26 Tb2 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0305","0.0254","","","0.0591","0.0621","","","","","","1.067","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059407","9.7227","0.0009","11.5973","0.001","13.6835","0.0012","68.904","0.002","77.49","0.002","80.068","0.002","1397.7","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cu Dy N6 O13 -","- C21 H25 Cu Dy N6 O13 -","- C42 H50 Cu2 Dy2 N12 O26 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0487","0.0332","","","0.0827","0.1022","","","","","","1.168","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059408","9.8127","0.0009","11.0987","0.0011","13.1441","0.0012","69.287","0.003","78.308","0.003","79.312","0.003","1301","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cu Dy N6 O13 -","- C20 H23 Cu Dy N6 O13 -","- C40 H46 Cu2 Dy2 N12 O26 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0412","0.0337","","","0.0819","0.0858","","","","","","0.997","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059409","9.0742","0.0003","10.8811","0.0004","11.8127","0.0004","90","","102.664","0.003","90","","1137.98","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H19 Cl N2 -","- C10 H19 Cl N2 -","- C40 H76 Cl4 N8 -","4","2","","Martin, Carmen; Cano, Israel; Scé, Fabio; Pérez-Aguirre, Rubén; Gimbert-Suriñach, Carolina; Lopez-Cornejo, Pilar; de Pedro, Imanol","Synthesis of chiral iron-based ionic liquids: modelling stable hybrid materials","New Journal of Chemistry","2020","44","16","6375","6383","10.1039/D0NJ00349B","","x-ray","1.54184","CuKα","K-L~2,3~","0.0342","0.034","","","0.0886","0.0889","","","","","","1.064","","","","has coordinates","257782","2020-10-21","18:00:00",""
"7059410","6.6283","0.0002","7.8369","0.0003","17.606","0.0005","90.888","0.003","94.947","0.003","91.1","0.003","910.84","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H31 Cl N2 O2 -","- C16 H31 Cl N2 O2 -","- C32 H62 Cl2 N4 O4 -","2","2","","Martin, Carmen; Cano, Israel; Scé, Fabio; Pérez-Aguirre, Rubén; Gimbert-Suriñach, Carolina; Lopez-Cornejo, Pilar; de Pedro, Imanol","Synthesis of chiral iron-based ionic liquids: modelling stable hybrid materials","New Journal of Chemistry","2020","44","16","6375","6383","10.1039/D0NJ00349B","","x-ray","1.54184","CuKα","K-L~2,3~","0.0416","0.0409","","","0.1109","0.1119","","","","","","1.04","","","","has coordinates","257782","2020-10-21","18:00:00",""
"7059411","7.657","0.0002","10.3364","0.0003","15.753","0.0006","90.747","0.003","91.108","0.003","106.582","0.003","1194.49","0.07","293","","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Mukherjee, Atasi; Chakravarty, Manab","Regioisomeric monopyridine-functionalized triarylethene: small AIEgens with isomeric effect and an efficient platform for the selective and sensitive detection of Pd2+ and Fe3+","New Journal of Chemistry","2020","44","16","6173","6181","10.1039/D0NJ00306A","","x-ray","0.71073","MoKα","","0.1079","0.0857","","","0.2164","0.232","","","","","","1.012","","","","has coordinates","257779","2020-10-21","18:00:00",""
"7059412","9.3645","0.0002","9.8616","0.0002","29.8334","0.0006","91.421","0.002","95.716","0.002","114.431","0.002","2489.29","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60.5 H55 N5.5 O5.5 -","- C70 H50 N2 -","- C140 H100 N4 -","2","1","","Mukherjee, Atasi; Chakravarty, Manab","Regioisomeric monopyridine-functionalized triarylethene: small AIEgens with isomeric effect and an efficient platform for the selective and sensitive detection of Pd2+ and Fe3+","New Journal of Chemistry","2020","44","16","6173","6181","10.1039/D0NJ00306A","","x-ray","1.54184","CuKα","","0.0714","0.0673","","","0.1742","0.1766","","","","","","1.049","","","","has coordinates","257779","2020-10-21","18:00:00",""
"7059413","14.6578","0.0015","8.7453","0.0011","22.209","0.004","90","","106.46","0.007","90","","2730.2","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N2 O2 -","- C16 H17 N2 O2 -","- C128 H136 N16 O16 -","8","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.106","0.0668","","","0.142","0.1601","","","","","","1.043","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059414","10.1825","0.0005","6.9858","0.0003","15.3143","0.0007","90","","95.202","0.002","90","","1084.86","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl N O3 -","- C12 H8 Cl N O3 -","- C48 H32 Cl4 N4 O12 -","4","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0739","0.0481","","","0.1031","0.1156","","","","","","0.985","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059415","20.7144","0.0013","4.6497","0.0003","14.7226","0.001","90","","108.849","0.003","90","","1341.97","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0539","0.0494","","","0.1188","0.1215","","","","","","1.136","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059416","8.122","0.0003","15.5877","0.0005","9.2916","0.0003","90","","104.519","0.001","90","","1138.78","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0449","0.0419","","","0.1026","0.1053","","","","","","1.006","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059417","37.44","0.05","4.665","0.013","14.44","0.04","90","","98","0.2","90","","2498","10","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","1.54184","CuKα","","0.1084","0.0652","","","0.1768","0.2066","","","","","","1.012","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059418","7.8552","0.0006","13.2661","0.0011","21.1966","0.0017","90","","90","","90","","2208.9","0.3","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","naphthoquinones","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0604","0.0481","","","0.0981","0.1026","","","","","","1.161","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059419","7.65","0.003","11.624","0.005","15.228","0.009","89.143","0.017","79.65","0.02","72.548","0.016","1269.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N4 O4 -","- C30 H28 N4 O4 -","- C60 H56 N8 O8 -","2","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","1.54184","CuKα","","0.1361","0.0598","","","0.1293","0.1666","","","","","","1.019","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059420","8.355","0.0017","19.633","0.0039","30.829","0.0062","90","","90","","90","","5057","1.8","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H25 Cl3 Cu N3 Na3 O17 -","- C11 H25 Cl3 Cu N3 Na3 O17 -","- C88 H200 Cl24 Cu8 N24 Na24 O136 -","8","1","","Ramadan, Abd El-Motaleb M.; Shaban, Shaban Y.; Ibrahim, Mohamed M.; Abdel-Rahman, Adel A.-H.; Sallam, Shehab A.; Al-Harbi, Sami A.; Omar, Walid","Synthesis and spectroscopic characterization of ternary copper(ii) complexes containing nitrogen and oxygen donors as functional mimics of catechol oxidase and phenoxazinone synthase","New Journal of Chemistry","2020","44","16","6331","6345","10.1039/C9NJ06131B","","","0.71073","MoKα","","0.0678","0.0384","","","0.0904","0.1073","","","","","","0.993","","","","has coordinates","257776","2020-10-21","18:00:00",""
"7059421","10.2702","0.0008","20.6229","0.0013","10.9839","0.001","90","","105.215","0.008","90","","2244.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23.333 N0.667 O2 -","- C16 H23.3333 N0.666667 O2 -","- C96 H140 N4 O12 -","6","1.5","","Madarasi, Packirisamy Kuzhalmozhi; Sivasankar, Chinnappan","Infrared spectroscopic detection of ketene formation from carbene and CO sources: an amide synthesis","New Journal of Chemistry","2020","44","21","8718","8727","10.1039/C9NJ06161D","","x-ray","0.71073","MoKα","","0.117","0.0679","","","0.1846","0.2248","","","","","","1.0743","","","","has coordinates","257872","2020-10-21","18:00:00",""
"7059422","9.753","0.0005","19.4993","0.0009","14.0108","0.0007","90","","94.635","0.002","90","","2655.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-benzyl-3-(1-(9-hydroxy-9H-fluoren-9-yl)-2-oxo-2-phenylethylidene)indolin-2-one","","- C36 H25 N O3 -","- C36 H25 N O3 -","- C144 H100 N4 O12 -","4","1","","Athira, Mohanakumaran; Meerakrishna, Ramakrishnan Suseela; Shanmugam, Ponnusamy","Synthesis of blue emissive functionalized 9,9-disubstituted fluorene derivatives via BF3·OEt2 mediated reaction of co-planar 9-(phenylethynyl)-9H-fluoren-9-ols with isatin imines","New Journal of Chemistry","2020","44","16","6652","6660","10.1039/C9NJ05102C","","","0.71073","MoKα","","0.0675","0.0481","","","0.1017","0.1121","","","","","","1.095","","","","has coordinates","257781","2020-10-21","18:00:00",""
"7059423","11.867","0.003","12.9","0.003","18.148","0.006","90","","98.427","0.017","90","","2748.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","AM3-3-F1","(E)-1-methyl-3-(2-oxo-2-phenyl-1-(9-(p-tolylamino)-9H-fluoren-9-yl)ethylidene)indolin-2-one","","- C37 H28 N2 O2 -","- C37 H28 N2 O2 -","- C148 H112 N8 O8 -","4","1","","Athira, Mohanakumaran; Meerakrishna, Ramakrishnan Suseela; Shanmugam, Ponnusamy","Synthesis of blue emissive functionalized 9,9-disubstituted fluorene derivatives via BF3·OEt2 mediated reaction of co-planar 9-(phenylethynyl)-9H-fluoren-9-ols with isatin imines","New Journal of Chemistry","2020","44","16","6652","6660","10.1039/C9NJ05102C","","","1.54184","CuKα","","0.0982","0.0643","","","0.1688","0.1986","","","","","","1.093","","","","has coordinates","257781","2020-10-21","18:00:00",""
"7059424","15.902","0.0018","5.4778","0.0006","7.3146","0.001","90","","90.515","0.004","90","","637.13","0.13","190","","189.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F N4 -","- C16 H9 F N4 -","- C32 H18 F2 N8 -","2","0.5","","Pedrini, Alessandro; Maspero, Angelo; Bracco, Silvia; Comotti, Angelina; Galli, Simona; Marchiò, Luciano; Nardo, Luca; Penoni, Andrea; Scapinello, Luca; Sozzani, Piero; Vesco, Guglielmo; Mella, Massimo","Synthesis, crystal structure, and optical properties of fluorinated poly(pyrazole) ligands and in silico assessment of their affinity for volatile organic compounds","New Journal of Chemistry","2020","44","16","6443","6455","10.1039/D0NJ00259C","","","0.71073","MoKα","","0.1246","0.0845","","","0.1646","0.1841","","","","","","1.072","","","","has coordinates,has disorder","257774","2020-10-21","18:00:00",""
"7059425","13.3901","0.0006","6.3395","0.0003","7.8929","0.0003","90","","93.316","0.002","90","","668.88","0.05","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F4 N4 -","- C16 H6 F4 N4 -","- C32 H12 F8 N8 -","2","0.5","","Pedrini, Alessandro; Maspero, Angelo; Bracco, Silvia; Comotti, Angelina; Galli, Simona; Marchiò, Luciano; Nardo, Luca; Penoni, Andrea; Scapinello, Luca; Sozzani, Piero; Vesco, Guglielmo; Mella, Massimo","Synthesis, crystal structure, and optical properties of fluorinated poly(pyrazole) ligands and in silico assessment of their affinity for volatile organic compounds","New Journal of Chemistry","2020","44","16","6443","6455","10.1039/D0NJ00259C","","","0.71073","MoKα","","0.057","0.0508","","","0.1386","0.1449","","","","","","1.069","","","","has coordinates","257774","2020-10-21","18:00:00",""
"7059426","7.913","0.006","5.411","0.003","15.519","0.011","90","","102.2","0.013","90","","649.5","0.8","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F2 N4 -","- C16 H8 F2 N4 -","- C32 H16 F4 N8 -","2","0.5","","Pedrini, Alessandro; Maspero, Angelo; Bracco, Silvia; Comotti, Angelina; Galli, Simona; Marchiò, Luciano; Nardo, Luca; Penoni, Andrea; Scapinello, Luca; Sozzani, Piero; Vesco, Guglielmo; Mella, Massimo","Synthesis, crystal structure, and optical properties of fluorinated poly(pyrazole) ligands and in silico assessment of their affinity for volatile organic compounds","New Journal of Chemistry","2020","44","16","6443","6455","10.1039/D0NJ00259C","","","0.71073","MoKα","","0.0604","0.0447","","","0.1018","0.1092","","","","","","1.071","","","","has coordinates,has disorder","257774","2020-10-21","18:00:00",""
"7059427","13.6229","0.0004","5.9755","0.0002","19.6403","0.0006","90","","99.437","0.001","90","","1577.15","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N9 O8 -","- C11 H9 N9 O8 -","- C44 H36 N36 O32 -","4","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0672","0.0473","","","0.1069","0.1207","","","","","","1.046","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059428","6.5043","0.0003","8.5821","0.0004","10.4247","0.0004","67.98","0.002","87.727","0.002","84.136","0.001","536.64","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N10 O8 S2 -","- C14 H16 N10 O8 S2 -","- C14 H16 N10 O8 S2 -","1","0.5","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0418","0.0337","","","0.0747","0.0797","","","","","","1.044","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059429","12.622","0.0004","5.8838","0.0002","11.1302","0.0003","90","","107.75","0.001","90","","787.24","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 N12 O10 -","- C10 H2 N12 O10 -","- C20 H4 N24 O20 -","2","0.5","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0345","0.0304","","","0.0725","0.0754","","","","","","1.04","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059430","13.9157","0.0011","8.6591","0.0007","18.9441","0.0017","90","","90","","90","","2282.7","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N8 O6 -","- C8 H6 N8 O6 -","- C64 H48 N64 O48 -","8","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.092","0.0488","","","0.1052","0.122","","","","","","1.066","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059431","17.6045","0.0009","30.805","0.0016","5.0463","0.0002","90","","90","","90","","2736.6","0.2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H2 N10 O9 -","- C8 H2 N10 O9 -","- C64 H16 N80 O72 -","8","0.5","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0625","0.0386","","","0.095","0.1188","","","","","","1.108","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059432","8.549","0.0013","10.104","0.0014","9.1163","0.0018","90","","99.01","0.008","90","","777.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N4 O7 -","- C4 H4 N4 O7 -","- C16 H16 N16 O28 -","4","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0577","0.0431","","","0.1018","0.1128","","","","","","1.039","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059433","9.3522","0.0003","11.3926","0.0005","17.9538","0.0007","90","","98.457","0.001","90","","1892.1","0.13","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N12 O12 -","- C10 H6 N12 O12 -","- C40 H24 N48 O48 -","4","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0768","0.0557","","","0.1332","0.1509","","","","","","1.05","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059434","12.792","0.007","3.569","0.0009","29.664","0.008","90","","90","","90","","1354.3","0.9","170","","170","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C32 H40 N24 O40 -","8","2","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0783","0.0512","","","0.12","0.1371","","","","","","1.126","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059435","9.6069","0.0006","12.3824","0.0008","12.6845","0.0008","100.648","0.002","107.253","0.002","107.393","0.002","1311.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 N8 O23 Se4 Zn4 -","- C40 H54 N8 O23 Se4 Zn4 -","- C40 H54 N8 O23 Se4 Zn4 -","1","0.5","","Lunardi, Andressa; Nunes Cechin, Camila; Lang, Ernesto Schulz; Cargnelutti, Roberta; Ramirez Pineda, Nahum; Piquini, Paulo Cesar; Burrow, Robert Alan; Santos dos Santos, Sailer; Bortolotto, Tanize; Tirloni, Bárbara","Organically templated zinc selenite compounds: synthesis, structural chemistry and DFT calculations","New Journal of Chemistry","2020","44","17","6699","6703","10.1039/D0NJ00343C","","","0.71073","MoKα","","0.0696","0.0401","","","0.0865","0.094","","","","","","1.015","","","","has coordinates,has disorder","257740","2020-10-21","18:00:00",""
"7059436","8.4181","0.0005","13.0306","0.0007","13.701","0.0008","102.147","0.002","103.589","0.002","91.969","0.002","1422.56","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 N8 O21 Se4 Zn4 -","- C48 H50 N8 O21 Se4 Zn4 -","- C48 H50 N8 O21 Se4 Zn4 -","1","0.5","","Lunardi, Andressa; Nunes Cechin, Camila; Lang, Ernesto Schulz; Cargnelutti, Roberta; Ramirez Pineda, Nahum; Piquini, Paulo Cesar; Burrow, Robert Alan; Santos dos Santos, Sailer; Bortolotto, Tanize; Tirloni, Bárbara","Organically templated zinc selenite compounds: synthesis, structural chemistry and DFT calculations","New Journal of Chemistry","2020","44","17","6699","6703","10.1039/D0NJ00343C","","","0.71073","MoKα","","0.1108","0.0462","","","0.0716","0.0845","","","","","","1.003","","","","has coordinates,has disorder","257740","2020-10-21","18:00:00",""
"7059437","13.1608","0.0006","25.5433","0.0013","28.7541","0.0012","90","","99.619","0.001","90","","9530.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 N11 O31 P3 Tb2 -","- C86 H88 Cl2 N11 O31 P3 Tb2 -","- C344 H352 Cl8 N44 O124 P12 Tb8 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.074","0.0455","","","0.1088","0.124","","","","","","1.021","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059438","12.9888","0.0006","25.3643","0.001","28.8567","0.0013","90","","99.708","0.002","90","","9370.8","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 N11 O31 P3 Yb2 -","- C86 H88 Cl2 N11 O31 P3 Yb2 -","- C344 H352 Cl8 N44 O124 P12 Yb8 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.1052","0.0715","","","0.2078","0.2275","","","","","","1.189","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059439","13.0937","0.0004","25.4261","0.0008","28.709","0.0008","90","","99.725","0.001","90","","9420.5","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 Dy2 N11 O31 P3 -","- C86 H88 Cl2 Dy2 N11 O31 P3 -","- C344 H352 Cl8 Dy8 N44 O124 P12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.1141","0.0576","","","0.143","0.179","","","","","","1.091","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059440","13.0197","0.0005","25.395","0.0011","28.8323","0.0013","90","","99.94","0.002","90","","9389.9","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 Er2 N11 O31 P3 -","- C86 H88 Cl2 Er2 N11 O31 P3 -","- C344 H352 Cl8 Er8 N44 O124 P12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.1325","0.0847","","","0.1885","0.2098","","","","","","1.171","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059441","15.6773","0.0018","6.7908","0.0008","15.3495","0.0019","90","","118.405","0.004","90","","1437.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","12a-bromo-6b,12a-dihydro-12H-chromeno[2',3':4,5]furo[3,2-c]quinolin-12-one","","- C18 H10 Br N O3 -","- C18 H10 Br N O3 -","- C72 H40 Br4 N4 O12 -","4","1","","Ferreira, João P. S.; Cardoso, Susana M.; Almeida Paz, Filipe A.; Silva, Artur M. S.; Silva, Vera L. M.","Synthesis of 2-aroylfuro[3,2-c]quinolines from quinolone-based chalcones and evaluation of their antioxidant and anticholinesterase activities","New Journal of Chemistry","2020","44","16","6501","6509","10.1039/D0NJ00409J","","","0.71073","MoKα","","0.0377","0.0251","","","0.0505","0.0562","","","","","","1.076","","","","has coordinates","257777","2020-10-21","18:00:00",""
"7059442","14.777","0.004","14.448","0.007","18.99","0.003","90","","112.01","0.02","90","","3759","2","150","2","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 Cl2 Fe N O4 S -","- C35 H52 Cl2 Fe N O4 S -","- C140 H208 Cl8 Fe4 N4 O16 S4 -","4","1","","Driscoll, Oliver J.; Stewart, Jack A.; McKeown, Paul; Jones, Matthew D.","Salalen vs. thiolen: in the ring(-opening of epoxide and cyclic carbonate formation)","New Journal of Chemistry","2020","44","15","6063","6067","10.1039/D0NJ00725K","","x-ray","0.71073","MoKα","","0.1263","0.0669","","","0.1544","0.1975","","","","","","1.019","","","","has coordinates,has disorder","257843","2020-10-21","18:00:00",""
"7059443","7.1753","0.0005","10.1901","0.0009","11.0558","0.0009","109.818","0.007","97.305","0.006","100.11","0.006","733.32","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C32 H34 N10 O4 -","2","1","","Pan, Zexi; Song, Chan; Zhou, Wei; Cui, Dong-Mei; Zhang, Chen","Synthesis of imidazo[1,2-a][1,3,5]triazines by NBS-mediated coupling of 2-amino-1,3,5-triazines with 1,3-dicarbonyl compounds","New Journal of Chemistry","2020","44","16","6182","6185","10.1039/C9NJ05794C","","","0.71073","MoKα","","0.0689","0.0482","","","0.115","0.1312","","","","","","1.028","","","","has coordinates","257780","2020-10-21","18:00:00",""
"7059444","12.485","0.006","9.687","0.004","14.318","0.006","90","","105.29","0.015","90","","1670.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl2 N3 Ni O2 -","- C15 H15 Cl2 N3 Ni O2 -","- C60 H60 Cl8 N12 Ni4 O8 -","4","1","","Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C‒H⋯Cl and π⋯π interactions","New Journal of Chemistry","2020","44","18","7310","7318","10.1039/D0NJ00094A","","","0.71073","MoKα","","0.04","0.0273","","","0.0934","0.1204","","","","","","0.893","","","","has coordinates","257851","2020-10-21","18:00:00",""
"7059445","10.6709","0.001","8.2581","0.0007","16.0905","0.0016","90","","94.686","0.003","90","","1413.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl2 Cu N3 -","- C15 H11 Cl2 Cu N3 -","- C60 H44 Cl8 Cu4 N12 -","4","1","","Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C‒H⋯Cl and π⋯π interactions","New Journal of Chemistry","2020","44","18","7310","7318","10.1039/D0NJ00094A","","","0.71073","MoKα","","0.0318","0.024","","","0.0884","0.1103","","","","","","0.938","","","","has coordinates","257851","2020-10-21","18:00:00",""
"7059446","18.9587","0.0003","14.3738","0.0003","13.6489","0.0003","90","","106.507","0.001","90","","3566.15","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cu2 N4 O12 S3 -","- C36 H30 Cu2 N4 O12 S3 -","- C144 H120 Cu8 N16 O48 S12 -","4","0.5","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer; Monika,; Ansari, Azaj; Ashafaq, Mo","Exploring catecholase activity in dinuclear Mn(ii) and Cu(ii) complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","19","7998","8009","10.1039/D0NJ00605J","","","0.71073","MoKα","","0.0349","0.0299","","","0.0728","0.0767","","","","","","1.0666","","","","has coordinates","257766","2020-10-21","18:00:00",""
"7059447","21.306","0.012","13.387","0.008","13.863","0.008","90","","110.184","0.014","90","","3711","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Mn2 N4 O8 S2 -","- C32 H24 Mn2 N4 O8 S2 -","- C128 H96 Mn8 N16 O32 S8 -","4","0.5","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer; Monika,; Ansari, Azaj; Ashafaq, Mo","Exploring catecholase activity in dinuclear Mn(ii) and Cu(ii) complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","19","7998","8009","10.1039/D0NJ00605J","","","0.71073","MoKα","","0.1173","0.0892","","","0.239","0.2705","","","","","","1.0675","","","","has coordinates","257766","2020-10-21","18:00:00",""
"7059448","18.8435","0.0004","18.8435","0.0004","35.3142","0.0012","90","","90","","90","","12539.3","0.6","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C29 H18 O10 Zn2 -","- C29 H18 O10 Zn2 -","- C232 H144 O80 Zn16 -","8","0.5","","Guo, Qi; Ma, Tingting; Zhou, Liuqing; Ma, Jing-xin; Yang, Jinhui; Yang, Qingfeng","Efficient detection of Cr3+ and Cr2O72− using a Zn(ii) luminescent metal‒organic framework","New Journal of Chemistry","2020","44","18","7293","7299","10.1039/C9NJ05999G","","","1.54184","CuKα","","0.0644","0.0515","","","0.138","0.1535","","","","","","1.003","","","","has coordinates","257847","2020-10-21","18:00:00",""
"7059449","6.4706","0.0006","7.4628","0.0007","16.4827","0.0016","93.785","0.007","94.273","0.006","104.845","0.006","764.23","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br3 N2 O -","- C13 H11 Br3 N2 O -","- C26 H22 Br6 N4 O2 -","2","1","","Canımkurbey, Betül; Taşkan, Mustafa Can; Demir, Sevde; Duygulu, Ercan; Atilla, Devrim; Yuksel, Fatma","Synthesis and investigation of the electrical properties of novel liquid-crystal phthalocyanines bearing triple branched alkylthia chains","New Journal of Chemistry","2020","44","18","7424","7435","10.1039/D0NJ00678E","","","0.71073","MoKα","","0.0541","0.0404","","","0.1005","0.1086","","","","","","1.049","","","","has coordinates","257850","2020-10-21","18:00:00",""
"7059450","7.678","0.003","29.054","0.01","7.724","0.003","90","","118.503","0.005","90","","1514.2","1","120","2","119.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Br3 N2 O -","- C13 H11 Br3 N2 O -","- C52 H44 Br12 N8 O4 -","4","1","","Canımkurbey, Betül; Taşkan, Mustafa Can; Demir, Sevde; Duygulu, Ercan; Atilla, Devrim; Yuksel, Fatma","Synthesis and investigation of the electrical properties of novel liquid-crystal phthalocyanines bearing triple branched alkylthia chains","New Journal of Chemistry","2020","44","18","7424","7435","10.1039/D0NJ00678E","","","0.71073","MoKα","","0.0879","0.071","","","0.162","0.1691","","","","","","1.178","","","","has coordinates","257850","2020-10-21","18:00:00",""
"7059451","12.0288","0.0006","18.0203","0.001","15.7595","0.0008","90","","111.499","0.002","90","","3178.4","0.3","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 F12 N8 O12 Pd2 S4 Se4 -","- C36 H48 F12 N8 O12 Pd2 S4 Se4 -","- C72 H96 F24 N16 O24 Pd4 S8 Se8 -","2","0.5","","Chaudhari, K. R.; Kunwar, A.; Bhuvanesh, N.; Dey, S.","Synthesis and anti-proliferative activities of amine capped Pd and Pt macrocycles of 4,4′-dipyridylselenides","New Journal of Chemistry","2020","44","18","7329","7337","10.1039/C9NJ06052A","","","0.71073","MoKα","","0.0564","0.0428","","","0.0747","0.0808","","","","","","1.125","","","","has coordinates","257849","2020-10-21","18:00:00",""
"7059452","5.7164","0.0006","8.4317","0.0008","10.384","0.001","105.276","0.004","105.188","0.004","98.713","0.004","452.69","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C20 H16 N4 Se2 -","2","1","","Chaudhari, K. R.; Kunwar, A.; Bhuvanesh, N.; Dey, S.","Synthesis and anti-proliferative activities of amine capped Pd and Pt macrocycles of 4,4′-dipyridylselenides","New Journal of Chemistry","2020","44","18","7329","7337","10.1039/C9NJ06052A","","","0.71073","MoKα","","0.0283","0.0243","","","0.0596","0.0613","","","","","","1.048","","","","has coordinates","257849","2020-10-21","18:00:00",""
"7059453","13.1185","0.0007","20.3561","0.0007","14.7486","0.001","90","","115.387","0.007","90","","3558.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(2-(2-(4-methoxybenzylidene)hydrazinyl)thiazol-4-yl)-2H-chromen-2-one","","- C20 H15 N3 O3 S -","- C20 H15 N3 O3 S -","- C160 H120 N24 O24 S8 -","8","2","","Godugu, Kumar; Gundala, Thrivikram Reddy; Bodapati, Ramakrishna; Yadala, Venkata Divya Sri; Loka, Subramanyam Sarma; Nallagondu, Chinna Gangi Reddy","Synthesis, photophysical and electrochemical properties of donor‒acceptor type hydrazinyl thiazolyl coumarins","New Journal of Chemistry","2020","44","17","7007","7016","10.1039/D0NJ00082E","","","0.71073","MoKα","","0.1842","0.0878","","","0.2082","0.2701","","","","","","0.914","","","","has coordinates","257741","2020-10-21","18:00:00",""
"7059454","9.5527","0.0002","17.1196","0.0004","28.2418","0.0006","90","","91.7686","0.0008","90","","4616.42","0.17","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Diphenylquinazoline calixarene derivative","","- C54.5 H58 N2 O4.5 -","- C54.5 H58 N2 O4.5 -","- C218 H232 N8 O18 -","4","1","","Tlustý, M.; Dvořáková, H.; Čejka, J.; Kohout, M.; Lhoták, P.","Regioselective formation of the quinazoline moiety on the upper rim of calix[4]arene as a route to inherently chiral systems","New Journal of Chemistry","2020","44","16","6490","6500","10.1039/D0NJ01035A","","","1.54178","CuKα","","0.0652","0.059","","0.1564","0.1545","0.1564","","","","","","1.0082","","","","has coordinates","257778","2020-10-21","18:00:00",""
"7059455","16.044","0.003","13.665","0.003","23.654","0.003","90","","123.091","0.009","90","","4344.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N4 O19 Sm2 -","- C42 H34 N4 O19 Sm2 -","- C168 H136 N16 O76 Sm8 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0309","0.0249","","","0.0553","0.0583","","","","","","1.032","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059456","16.013","0.003","13.636","0.003","23.533","0.003","90","","123.104","0.009","90","","4304.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N4 O19 Tb2 -","- C42 H34 N4 O19 Tb2 -","- C168 H136 N16 O76 Tb8 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0287","0.0243","","","0.0547","0.0565","","","","","","0.995","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059457","16.026","0.002","13.6349","0.0017","23.5391","0.0019","90","","122.957","0.005","90","","4315.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Gd2 N4 O19 -","- C42 H34 Gd2 N4 O19 -","- C168 H136 Gd8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0446","0.032","","","0.0606","0.0653","","","","","","0.996","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059458","16.01","0.005","13.588","0.004","23.465","0.005","90","","123.07","0.014","90","","4278","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Ho2 N4 O19 -","- C42 H34 Ho2 N4 O19 -","- C168 H136 Ho8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0371","0.0281","","","0.0587","0.063","","","","","","1.031","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059459","16.05","0.003","13.653","0.003","23.678","0.003","90","","123.116","0.009","90","","4345.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Eu2 N4 O19 -","- C42 H34 Eu2 N4 O19 -","- C168 H136 Eu8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0312","0.0248","","","0.0556","0.0584","","","","","","1.031","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059460","16.044","0.006","13.656","0.005","23.514","0.007","90","","123.001","0.018","90","","4321","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Dy2 N4 O19 -","- C42 H34 Dy2 N4 O19 -","- C168 H136 Dy8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0417","0.034","","","0.0801","0.0842","","","","","","1.013","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059461","29.039","0.003","12.0094","0.0011","22.276","0.002","90","","111.48","0.001","90","","7229","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H98 N8 Ni6 O30 -","- C52 H98 N8 Ni6 O30 -","- C208 H392 N32 Ni24 O120 -","4","0.5","","Sheng, Kai; Ji, Bao-Qian; Feng, Lei; Su, Yan-Min; Jagodič, Marko; Jagličić, Zvonko; Sun, Di","A rod-like hexanuclear nickel cluster based on a bi(pyrazole-alcohol) ligand: structure, electrospray ionization mass spectrometry, magnetism and photocurrent response","New Journal of Chemistry","2020","44","17","7152","7157","10.1039/D0NJ00959H","","","0.71073","MoKα","","0.0722","0.0441","","","0.0878","0.0995","","","","","","1.024","","","","has coordinates","257735","2020-10-21","18:00:00",""
"7059462","8.6784","0.0003","9.857","0.0004","14.6836","0.0005","74.229","0.003","84.864","0.003","75.053","0.003","1167.64","0.08","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N6 O2 -","- C28 H24 N6 O2 -","- C56 H48 N12 O4 -","2","1","","Esteves, Catarina V.; Costa, Judite; Bernard, Hélène; Tripier, Raphaël; Delgado, Rita","A squaraine-based dipicolylamine derivative acting as a turn-on mercury(ii) fluorescent probe in water","New Journal of Chemistry","2020","44","16","6589","6600","10.1039/D0NJ00852D","","x-ray","0.71073","MoKα","","0.068","0.044","","","0.0892","0.1009","","","","","","1.016","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7059463","9.4902","0.0003","12.2629","0.0005","12.5114","0.0005","113.97","0.004","102.843","0.003","97.774","0.003","1254.92","0.1","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25.5 Cu2 I2 N3.5 P -","- C22 H25.5 Cu2 I2 N3.5 P -","- C44 H51 Cu4 I4 N7 P2 -","2","1","","Artem’ev, Alexander V.; Baranov, Andrey Yu.; Rakhmanova, Mariana I.; Malysheva, Svetlana F.; Samsonenko, Denis G.","Copper(i) halide polymers derived from tris[2-(pyridin-2-yl)ethyl]phosphine: halogen-tunable colorful luminescence spanning from deep blue to green","New Journal of Chemistry","2020","44","17","6916","6922","10.1039/D0NJ00894J","","x-ray","0.71073","MoKα","","0.0327","0.025","","","0.0502","0.0526","","","","","","1.01","","","","has coordinates,has disorder","257742","2020-10-21","18:00:00",""
"7059464","25.55266","0.00016","14.23673","0.00006","16.34599","0.0001","90","","104.982","0.0007","90","","5744.31","0.06","159.99","0.1","159.99","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Br4 Cl4 N4 O4 P2 Re2 -","- C52 H50 Br4 Cl4 N4 O4 P2 Re2 -","- C208 H200 Br16 Cl16 N16 O16 P8 Re8 -","4","0.5","","Mukiza, Janvier; Blacque, Olivier; Habarurema, Gratien; Kampire, Edwige","The reaction of oxidorhenium(v) with dipodal and tripodal aroylhydrazines: formation of dinuclear and trinuclear aroylhydrazone-bridged rhenium(v) complexes","New Journal of Chemistry","2020","44","17","7080","7090","10.1039/D0NJ00182A","","x-ray","1.54184","CuKα","","0.0362","0.0354","","","0.0951","0.0958","","","","","","1.05","","","","has coordinates,has disorder","257737","2020-10-21","18:00:00",""
"7059465","15.75942","0.00009","14.2297","0.00007","25.4385","0.00012","90","","98.728","0.0005","90","","5638.57","0.05","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Cl4 N4 O6 P2 Re2 -","- C56 H58 Cl4 N4 O6 P2 Re2 -","- C224 H232 Cl16 N16 O24 P8 Re8 -","4","1","","Mukiza, Janvier; Blacque, Olivier; Habarurema, Gratien; Kampire, Edwige","The reaction of oxidorhenium(v) with dipodal and tripodal aroylhydrazines: formation of dinuclear and trinuclear aroylhydrazone-bridged rhenium(v) complexes","New Journal of Chemistry","2020","44","17","7080","7090","10.1039/D0NJ00182A","","x-ray","1.54184","CuKα","","0.0366","0.0359","","","0.0985","0.0992","","","","","","1.043","","","","has coordinates","257737","2020-10-21","18:00:00",""
"7059466","19.7456","0.0005","15.7521","0.0004","26.807","0.0007","90","","96.356","0.003","90","","8286.7","0.4","160","1","160","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79.25 H82.64 Br4.15 Cl1.65 N6 O8.9 P2.9 Re2.9 -","- C70.2378 H64.6294 Br4.146 Cl1.662 N6 O5.9021 P2.9021 Re2.9021 -","- C280.951 H258.518 Br16.584 Cl6.648 N24 O23.6084 P11.6084 Re11.6084 -","4","1","","Mukiza, Janvier; Blacque, Olivier; Habarurema, Gratien; Kampire, Edwige","The reaction of oxidorhenium(v) with dipodal and tripodal aroylhydrazines: formation of dinuclear and trinuclear aroylhydrazone-bridged rhenium(v) complexes","New Journal of Chemistry","2020","44","17","7080","7090","10.1039/D0NJ00182A","","x-ray","0.71073","MoKα","","0.0371","0.0299","","","0.072","0.0758","","","","","","1.042","","","","has coordinates,has disorder","257737","2020-10-21","18:00:00",""
"7059467","25.92","0.003","5.4308","0.0006","18.988","0.002","90","","103.173","0.013","90","","2602.5","0.5","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","","Surya Prakash Rao, H.; Padder, Ashiq Hussain","Blaise reaction: synthesis, skeletal diversification of C(4) substituted 5-ylidenepyrrol-(5H)-ones and the role of the strategically located ester on the reactivity of the nitriles","New Journal of Chemistry","2020","44","21","9010","9017","10.1039/D0NJ00231C","","","0.71073","MoKα","","0.1071","0.0615","","","0.1544","0.1904","","","","","","1.046","","","","has coordinates","257874","2020-10-21","18:00:00",""
"7059468","16.6907","0.0012","4.2138","0.0003","19.6741","0.0012","90","","103.083","0.007","90","","1347.79","0.16","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Surya Prakash Rao, H.; Padder, Ashiq Hussain","Blaise reaction: synthesis, skeletal diversification of C(4) substituted 5-ylidenepyrrol-(5H)-ones and the role of the strategically located ester on the reactivity of the nitriles","New Journal of Chemistry","2020","44","21","9010","9017","10.1039/D0NJ00231C","","","0.71073","MoKα","","0.0456","0.0379","","","0.0978","0.1054","","","","","","1.0538","","","","has coordinates","257874","2020-10-21","18:00:00",""
"7059469","32.5866","0.0011","19.2718","0.0006","29.1207","0.0009","90","","97.531","0.001","90","","18130.1","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C209 H405 Ag62 F45 N14 O47 S40 -","- C209 H405 Ag62 F45 N14 O47 S40 -","- C418 H810 Ag124 F90 N28 O94 S80 -","2","0.5","","Feng, Yu-Hui; Lin, Zhi-Sheng; Liu, Si-Qing; Shi, Ju-Feng; Zhou, Kun; Ji, Jiu-Yu; Bi, Yan-Feng","A stably discrete 31-nuclearity silver(i) thiolate nanocluster luminescent thermometer supported by DMF auxiliary ligands","New Journal of Chemistry","2020","44","3","663","","10.1039/C9NJ05076K","","","0.71073","MoKα","","0.0848","0.0539","","","0.1069","0.1191","","","","","","1.027","","","","has coordinates,has disorder","250141","2020-10-21","18:00:00",""
"7059470","5.9982","0.0006","10.1384","0.0008","12.369","0.0012","71.952","0.008","82.221","0.008","73.411","0.008","684.5","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H7 Cl3 N S Se -","- C12 H7 Cl3 N S Se -","- C24 H14 Cl6 N2 S2 Se2 -","2","1","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0671","0.0446","","","0.0767","0.0932","","","","","","1.096","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059471","11.2104","0.0006","4.0802","0.0002","48.882","0.003","90","","90","","90","0.006","2235.9","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H6 Br N S Te -","- C11 H6 Br N S Te -","- C88 H48 Br8 N8 S8 Te8 -","8","2","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0918","0.0683","","","0.1513","0.174","","","","","","1.056","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059472","20.6424","0.0007","4.1588","0.0001","11.6051","0.0004","90","","91.535","0.003","90","","995.91","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 S2 Te2 -","- C22 H12 N2 S2 Te2 -","- C44 H24 N4 S4 Te4 -","2","0.5","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0319","0.0221","","","0.045","0.0491","","","","","","1.064","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059473","11.9421","0.0006","7.2245","0.0004","24.8025","0.0011","90","","90","","90","","2139.85","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H5 Br N2 S Te -","- C10 H5 Br N2 S Te -","- C80 H40 Br8 N16 S8 Te8 -","8","1","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0346","0.0253","","","0.0485","0.0516","","","","","","1.038","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059474","7.8741","0.0005","9.1095","0.0006","11.9118","0.0007","102.589","0.006","108.164","0.006","96.805","0.005","776.15","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 F6 N8 Ni O8 S2 -","- C18 H32 F6 N8 Ni O8 S2 -","- C18 H32 F6 N8 Ni O8 S2 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","1.54184","CuKα","","0.041","0.0354","","","0.0881","0.0928","","","","","","1.051","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059475","9.6235","0.0007","8.0534","0.0005","16.8565","0.0012","90","","103.297","0.007","90","","1271.39","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N14 Ni O6 -","- C18 H28 N14 Ni O6 -","- C36 H56 N28 Ni2 O12 -","2","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","1.54184","CuKα","","0.0505","0.0413","","","0.0891","0.0932","","","","","","1.082","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059476","9.638","0.0006","10.2071","0.0009","10.3141","0.0009","101.057","0.008","101.885","0.006","111.644","0.007","882.01","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 F6 N12 Ni O6 S2 -","- C24 H36 F6 N12 Ni O6 S2 -","- C24 H36 F6 N12 Ni O6 S2 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","0.71073","MoKα","","0.0685","0.0545","","","0.1352","0.1487","","","","","","1.068","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059477","25.009","0.002","9.6962","0.0004","17.1351","0.0017","90","","131.427","0.016","90","","3115.5","0.9","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H28 F6 N12 Ni O6 S2 -","- C20 H28 F6 N12 Ni O6 S2 -","- C80 H112 F24 N48 Ni4 O24 S8 -","4","1","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","0.71073","MoKα","","0.0341","0.031","","","0.0684","0.071","","","","","","1.033","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059478","8.7256","0.0004","10.0265","0.0006","12.205","0.0007","82.723","0.005","72.312","0.005","84.509","0.004","1007.26","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 F6 N12 Ni O8 S2 -","- C30 H44 F6 N12 Ni O8 S2 -","- C30 H44 F6 N12 Ni O8 S2 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","0.71073","MoKα","","0.0462","0.0347","","","0.0741","0.0808","","","","","","1.028","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059479","9.5039","0.0007","9.5463","0.0007","9.7514","0.0008","78.526","0.006","61.114","0.008","71.962","0.007","735.27","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 N14 Ni O6 -","- C22 H36 N14 Ni O6 -","- C22 H36 N14 Ni O6 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","1.54184","CuKα","","0.0586","0.0551","","","0.1447","0.1479","","","","","","1.056","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059480","8.3309","0.0004","9.7597","0.0004","18.0944","0.0011","90","","98.938","0.005","90","","1453.34","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N14 Ni O6 -","- C24 H36 N14 Ni O6 -","- C48 H72 N28 Ni2 O12 -","2","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","1.54184","CuKα","","0.0849","0.07","","","0.1762","0.186","","","","","","1.075","","","","has coordinates,has disorder","257734","2020-10-21","18:00:00",""
"7059481","19.9358","0.0011","9.2467","0.0003","16.9617","0.001","90","","126.983","0.008","90","","2497.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Cl2 N12 Ni -","- C18 H28 Cl2 N12 Ni -","- C72 H112 Cl8 N48 Ni4 -","4","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","0.71073","MoKα","","0.0347","0.0302","","","0.0688","0.0715","","","","","","1.057","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059482","12.2655","0.0003","8.3615","0.0002","13.5192","0.0003","90","","102.388","0.003","90","","1354.22","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CMS31","","- C14 H7 Eu N2 O8 -","- C14 H7 Eu N2 O8 -","- C56 H28 Eu4 N8 O32 -","4","1","","da Silva, Caroline Moraes; Ellena, Javier; Frem, Regina Célia Galvão","Chemical transformation of a luminescent two-dimensional Eu(iii) coordination polymer in the aqueous phase","New Journal of Chemistry","2020","44","24","10146","10152","10.1039/C9NJ06075H","","x-ray","0.71073","MoKα","","0.0346","0.0306","","","0.0723","0.0751","","","","","","1.227","","","","has coordinates","257648","2020-10-21","18:00:00",""
"7059483","8.0088","0.0012","10.6117","0.0017","14.9158","0.0017","109.692","0.009","102.822","0.008","94.425","0.01","1147.7","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 Cu2 N8 O10 -","- C16 H18 Cl2 Cu2 N8 O10 -","- C32 H36 Cl4 Cu4 N16 O20 -","2","1","","Mondal, Antu; Das, Chandrima; Corbella, Montse; Bauzá, Antonio; Frontera, Antonio; Saha, Moumita; Mondal, Sanchaita; Das Saha, Krishna; Chattopadhyay, Shyamal Kumar","Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex","New Journal of Chemistry","2020","44","18","7319","7328","10.1039/C9NJ05712A","","","0.71073","MoKα","","0.0663","0.0589","","","0.1527","0.165","","","","","","1.057","","","","has coordinates","257853","2020-10-21","18:00:00",""
"7059484","15.626","0.0006","15.1781","0.0006","16.3393","0.0006","90","","104.658","0.002","90","","3749.1","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Mixed phosphine/thiocarbamoyloyrazoline Gold(I) complex","","- C36 H36 Au F6 N3 O P2 S -","- C36 H36 Au F6 N3 O P2 S -","- C144 H144 Au4 F24 N12 O4 P8 S4 -","4","1","","Favarin, Lis R. V.; Laranjeira, G. B.; Teixeira, Cristiane F. A.; Silva, Heveline; Micheletti, A. C.; Pizzuti, Lucas; Machulek Júnior, Amilcar; Caires, Anderson R. L.; Deflon, Victor M.; Pesci, Rafaela B. P.; Rocha, C. N. Lima; Correa, J. R.; Pinto, L. M. C.; Casagrande, Gleison Antônio","Harvesting greenish blue luminescence in gold(i) complexes and their application as promising bioactive molecules and cellular bioimaging agents","New Journal of Chemistry","2020","44","17","6862","6871","10.1039/D0NJ01339K","","x-ray","0.71073","MoKα","","0.0333","0.0254","","","0.0671","0.0718","","","","","","1.019","","","","has coordinates,has disorder","257743","2020-10-21","18:00:00",""
"7059485","15.5446","0.0003","14.8994","0.0003","16.1594","0.0004","90","","105.913","0.001","90","","3599.18","0.14","296","2","296","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","Mixed phosphine/thiocarbamoyloyrazoline Gold(I) complex","","- C35 H34 Au Cl0 F6 K0 N3 O P2 S -","- C35 H34 Au F6 N3 O P2 S -","- C140 H136 Au4 F24 N12 O4 P8 S4 -","4","1","","Favarin, Lis R. V.; Laranjeira, G. B.; Teixeira, Cristiane F. A.; Silva, Heveline; Micheletti, A. C.; Pizzuti, Lucas; Machulek Júnior, Amilcar; Caires, Anderson R. L.; Deflon, Victor M.; Pesci, Rafaela B. P.; Rocha, C. N. Lima; Correa, J. R.; Pinto, L. M. C.; Casagrande, Gleison Antônio","Harvesting greenish blue luminescence in gold(i) complexes and their application as promising bioactive molecules and cellular bioimaging agents","New Journal of Chemistry","2020","44","17","6862","6871","10.1039/D0NJ01339K","","x-ray","0.71073","MoKα","","0.0391","0.0302","","","0.072","0.0757","","","","","","1.028","","","","has coordinates","257743","2020-10-21","18:00:00",""
"7059486","15.73","0.004","14.896","0.005","16.543","0.005","90","","105.515","0.01","90","","3735","1.9","299","2","299","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Mixed phosphine/thiocarbamoyloyrazoline Gold(I) complex","","- C36 H36 Au F6 N3 O2 P2 S -","- C36 H36 Au F6 N3 O2 P2 S -","- C144 H144 Au4 F24 N12 O8 P8 S4 -","4","1","","Favarin, Lis R. V.; Laranjeira, G. B.; Teixeira, Cristiane F. A.; Silva, Heveline; Micheletti, A. C.; Pizzuti, Lucas; Machulek Júnior, Amilcar; Caires, Anderson R. L.; Deflon, Victor M.; Pesci, Rafaela B. P.; Rocha, C. N. Lima; Correa, J. R.; Pinto, L. M. C.; Casagrande, Gleison Antônio","Harvesting greenish blue luminescence in gold(i) complexes and their application as promising bioactive molecules and cellular bioimaging agents","New Journal of Chemistry","2020","44","17","6862","6871","10.1039/D0NJ01339K","","x-ray","0.71073","MoKα","","0.0728","0.0401","","","0.0958","0.1097","","","","","","1.036","","","","has coordinates","288220","2023-12-11","22:07:22",""
"7059487","9.0754","0.0006","9.9135","0.0007","9.9267","0.0006","69.799","0.006","77.933","0.006","67.701","0.006","772.34","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","9.(I3)2","","- C13 H13 I3 N2 -","- C13 H13 I3 N2 -","- C26 H26 I6 N4 -","2","1","","Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives","New Journal of Chemistry","2020","44","23","9621","9625","10.1039/D0NJ00757A","","x-ray","0.71073","MoKα","","0.0568","0.0385","","","0.0698","0.0827","","","","","","1.017","","","","has coordinates","257854","2020-10-21","18:00:00",""
"7059488","7.2711","0.0004","13.2126","0.0007","15.6117","0.0007","86.844","0.004","77.551","0.004","80.64","0.004","1444.74","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","9(TCNQ)4","","- C37 H21 N10 -","- C37 H21 N10 -","- C74 H42 N20 -","2","1","","Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives","New Journal of Chemistry","2020","44","23","9621","9625","10.1039/D0NJ00757A","","","0.71073","MoKα","","0.1039","0.0584","","","0.1195","0.1422","","","","","","1.027","","","","has coordinates","257854","2020-10-21","18:00:00",""
"7059489","11.4701","0.0004","11.7251","0.0004","13.159","0.0004","74.899","0.003","67.021","0.003","86.962","0.002","1570.67","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","10.TCNQ-F4","","- C39 H29 F4 N8 -","- C39 H29 F4 N8 -","- C78 H58 F8 N16 -","2","1","","Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives","New Journal of Chemistry","2020","44","23","9621","9625","10.1039/D0NJ00757A","","","0.71073","MoKα","","0.0917","0.0515","","","0.1135","0.1308","","","","","","1.027","","","","has coordinates","257854","2020-10-21","18:00:00",""
"7059490","8.5051","0.0005","5.7663","0.0003","13.3375","0.0007","90","","90.705","0.005","90","","654.06","0.06","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","0.5","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0502","0.0432","","","0.117","0.1229","","","","","","1.091","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059491","6.0792","0.0003","7.7395","0.0003","28.2605","0.0015","90","","106.747","0.005","90","","1273.26","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0672","0.0466","","","0.1352","0.1533","","","","","","1.046","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059492","5.6304","0.0005","8.4095","0.0009","15.7707","0.0014","95.118","0.008","96.805","0.007","92.702","0.008","737.25","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H7 F7 O -","- C16 H7 F7 O -","- C32 H14 F14 O2 -","2","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0853","0.0469","","","0.1434","0.1675","","","","","","1.023","","","","has coordinates,has disorder","257738","2020-10-21","18:00:00",""
"7059493","6.2167","0.0003","7.5783","0.0004","28.6871","0.0014","90","","90","","90","","1351.51","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C64 H44 F12 O4 -","4","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","","0.71073","MoKα","","0.0765","0.0574","","","0.1824","0.1998","","","","","","1.07","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059494","6.2399","0.0003","7.7358","0.0003","28.6607","0.0008","95.911","0.002","90.746","0.003","98.579","0.003","1360.15","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H7 F4 N O -","- C16 H7 F4 N O -","- C64 H28 F16 N4 O4 -","4","2","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0645","0.0422","","","0.1382","0.1558","","","","","","1.005","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059495","7.3516","0.0004","8.506","0.0005","12.5385","0.0007","100.778","0.005","96.71","0.004","113.627","0.005","689.46","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F4 O2 -","- C16 H10 F4 O2 -","- C32 H20 F8 O4 -","2","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.068","0.0434","","","0.1305","0.1455","","","","","","1.081","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059496","15.1265","0.0016","7.2749","0.0007","16.0388","0.0016","90","","103.411","0.007","90","","1716.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","","Bertho, Sylvain; Dondasse, Ismaël; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","β-C(sp2)‒H alkylation of enamides using xanthate chemistry","New Journal of Chemistry","2020","44","17","7129","7141","10.1039/D0NJ01209B","","","1.54187","CuKα","","0.1207","0.042","","","0.069","0.0887","","","","","","0.817","","","","has coordinates","257745","2020-10-21","18:00:00",""
"7059497","13.0115","0.0008","17.0106","0.0011","7.8719","0.0005","90","","93.093","0.002","90","","1739.78","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C80 H104 N8 O4 -","4","1","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.0636","0.0507","","","0.1272","0.1366","","","","","","1.028","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059498","9.0772","0.0002","9.1571","0.0002","20.5591","0.0005","87.995","0.001","78.093","0.001","87.982","0.001","1670.41","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H51 Ca N3 O2 Si2 -","- C30 H51 Ca N3 O2 Si2 -","- C60 H102 Ca2 N6 O4 Si4 -","2","1","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.0526","0.0352","","","0.0829","0.0883","","","","","","1.032","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059499","20.9858","0.0013","11.6699","0.0007","20.5963","0.0013","90","","114.895","0.001","90","","4575.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 N5 O2 Si2 Sm -","- C46 H68 N5 O2 Si2 Sm -","- C184 H272 N20 O8 Si8 Sm4 -","4","0.5","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.0271","0.0236","","","0.0569","0.0579","","","","","","1.035","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059500","20.9092","0.0009","11.5943","0.0005","20.5513","0.0009","90","","114.994","0.001","90","","4515.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 N5 O2 Si2 Y -","- C46 H68 N5 O2 Si2 Y -","- C184 H272 N20 O8 Si8 Y4 -","4","0.5","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.029","0.0261","","","0.0692","0.071","","","","","","1.044","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059501","12.2041","0.0004","7.295","0.0002","17.0133","0.0006","90","","95.532","0.001","90","","1507.62","0.08","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 B10 Fe2 S2 -","- C30 H32 B10 Fe2 S2 -","- C60 H64 B20 Fe4 S4 -","2","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","","0.71073","MoKα","","0.0286","0.026","","","0.0489","0.0502","","","","","","1.019","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059502","13.359","0.003","7.4489","0.0019","32.209","0.008","90","","91.61","0.004","90","","3203.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 B10 Fe2 -","- C34 H36 B10 Fe2 -","- C136 H144 B40 Fe8 -","4","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","","0.71073","MoKα","","0.0476","0.0357","","","0.0814","0.0864","","","","","","1.061","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059503","10.6389","0.0016","25.606","0.004","13.673","0.002","90","","95.675","0.003","90","","3706.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 B20 Fe2 S -","- C28 H40 B20 Fe2 S -","- C112 H160 B80 Fe8 S4 -","4","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","","0.71073","MoKα","","0.0581","0.0396","","","0.0935","0.1034","","","","","","1.018","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059504","18.49","0.003","10.602","0.002","20.795","0.004","90","","113.026","0.003","90","","3751.7","1.2","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 B20 Fe2 -","- C30 H42 B20 Fe2 -","- C120 H168 B80 Fe8 -","4","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","x-ray","0.71073","MoKα","","0.0719","0.0447","","","0.1115","0.1266","","","","","","1.01","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059505","14.5709","0.0014","17.1752","0.0012","8.9783","0.001","90","","103.868","0.011","90","","2181.4","0.4","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","AMC22","","- C20 H30 Br2 N2 O2 -","- C20 H30 Br2 N2 O2 -","- C80 H120 Br8 N8 O8 -","4","0.5","","Mac Cormack, Andrea S.; Busch, Verónica M.; Japas, M. Laura; Giovanetti, Lisandro; Di Salvo, Florencia; Di Chenna, Pablo H.","The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates","New Journal of Chemistry","2020","44","20","8198","8208","10.1039/D0NJ01440K","","","0.71073","MoKα","","0.0879","0.0445","","","0.0706","0.0845","","","","","","0.998","","","","has coordinates","257803","2020-10-21","18:00:00",""
"7059506","16.382","0.002","12.2314","0.0014","9.8293","0.0007","90","","102.916","0.009","90","","1919.7","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl2 N O -","- C18 H27 Cl2 N O -","- C72 H108 Cl8 N4 O4 -","4","1","","Mac Cormack, Andrea S.; Busch, Verónica M.; Japas, M. Laura; Giovanetti, Lisandro; Di Salvo, Florencia; Di Chenna, Pablo H.","The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates","New Journal of Chemistry","2020","44","20","8198","8208","10.1039/D0NJ01440K","","x-ray","0.71073","MoKα","","0.1241","0.0572","","","0.1136","0.1445","","","","","","1.009","","","","has coordinates","257803","2020-10-21","18:00:00",""
"7059507","9.458","0.0012","9.6384","0.0012","20.324","0.003","90","","100.752","0.009","90","","1820.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Mukherjee, Pallabi; Das, Debasis","Al3+ triggered aggregation induced emission of an anthracence based azine derivative in SDS medium","New Journal of Chemistry","2020","44","20","8477","8485","10.1039/D0NJ00968G","","","0.71073","MoKα","","0.1927","0.0583","","","0.1204","0.184","","","","","","1.002","","","","has coordinates","257799","2020-10-21","18:00:00",""
"7059508","26.521","0.003","11.3399","0.0013","19.699","0.002","90","","128.109","0.003","90","","4661.5","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F18 Gd N4 O10 -","- C35 H31 F18 Gd N4 O10 -","- C140 H124 F72 Gd4 N16 O40 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","","0.71073","MoKα","","0.074","0.0529","","","0.1205","0.1342","","","","","","1.068","","","","has coordinates,has disorder","257767","2020-10-21","18:00:00",""
"7059509","26.4498","0.0015","11.272","0.0007","19.6876","0.0012","90","","128.178","0.003","90","","4614.1","0.5","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F18 N4 O10 Y -","- C35 H31 F18 N4 O10 Y -","- C140 H124 F72 N16 O40 Y4 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","","0.71073","MoKα","","0.1204","0.0703","","","0.174","0.2084","","","","","","1.038","","","","has coordinates","257767","2020-10-21","18:00:00",""
"7059510","26.503","0.003","11.3052","0.0012","19.672","0.002","90","","128.101","0.003","90","","4638.3","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F18 N4 O10 Tb -","- C35 H31 F18 N4 O10 Tb -","- C140 H124 F72 N16 O40 Tb4 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","","0.71073","MoKα","","0.1028","0.0688","","","0.1479","0.1689","","","","","","1.081","","","","has coordinates","257767","2020-10-21","18:00:00",""
"7059511","26.418","0.002","11.2431","0.0004","21.1128","0.0018","90","","133.093","0.015","90","","4579.3","1.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Dy F18 N4 O10 -","- C35 H31 Dy F18 N4 O10 -","- C140 H124 Dy4 F72 N16 O40 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","x-ray","1.54184","CuKα","","0.0473","0.0457","","","","0.1115","","","","","","1.0209","","","","has coordinates","257767","2020-10-21","18:00:00",""
"7059512","10.8098","0.001","3.9789","0.0004","24.25","0.002","90","","92.803","0.009","90","","1041.77","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F N2 O3 -","- C11 H9 F N2 O3 -","- C44 H36 F4 N8 O12 -","4","1","","Yogesh Kumar, Gujjenahalli Ramalingaiah; Begum, Noor Shahina; Mohammed Imran, Khan","Mn-mediated oxidative radical cyclization of 2-(azidomethyl)phenyl isocyanides with carbazate: access to quinazoline-2-carboxylates","New Journal of Chemistry","2020","44","17","7001","7006","10.1039/D0NJ00479K","","","0.71073","MoKα","","0.0937","0.0597","","","0.1263","0.1449","","","","","","1.07","","","","has coordinates","257744","2020-10-21","18:00:00",""
"7059513","8.7831","0.0008","8.9008","0.0007","13.3834","0.0012","99.835","0.002","100.128","0.002","106.436","0.002","960.54","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Cl O4 S -","- C23 H15 Cl O4 S -","- C46 H30 Cl2 O8 S2 -","2","1","","Jana, Asim; Bhaumick, Prabhas; Choudhury, Lokman H.","Microwave assisted synthesis of β-keto thioethers and furan derivatives by thiol directed multicomponent reactions","New Journal of Chemistry","2020","44","20","8442","8453","10.1039/D0NJ00587H","","","0.71073","MoKα","","0.0505","0.0391","","","0.0938","0.101","","","","","","1.039","","","","has coordinates","257798","2020-10-21","18:00:00",""
"7059514","13.7724","0.0013","15.3172","0.0015","15.8809","0.0015","80.591","0.002","65.912","0.002","82.455","0.002","3009.5","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 O16 S2 -","- C72 H52 O16 S2 -","- C144 H104 O32 S4 -","2","1","","Jana, Asim; Bhaumick, Prabhas; Choudhury, Lokman H.","Microwave assisted synthesis of β-keto thioethers and furan derivatives by thiol directed multicomponent reactions","New Journal of Chemistry","2020","44","20","8442","8453","10.1039/D0NJ00587H","","","0.71073","MoKα","","0.0599","0.0397","","","0.0907","0.1022","","","","","","1.023","","","","has coordinates,has disorder","257798","2020-10-21","18:00:00",""
"7059515","8.0681","0.0003","22.9447","0.0009","21.904","0.0008","90","","95.36","0.004","90","","4037.1","0.3","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl6 Fe2 N4 O -","- C35 H30 Cl6 Fe2 N4 O -","- C140 H120 Cl24 Fe8 N16 O4 -","4","1","","Lin, Wenhua; Zhang, Liping; Suo, Hongyi; Vignesh, Arumugam; Yousuf, Nighat; Hao, Xiang; Sun, Wen-Hua","Synthesis of characteristic polyisoprenes using rationally designed iminopyridyl metal (Fe and Co) precatalysts: investigation of co-catalysts and steric influence on their catalytic activity","New Journal of Chemistry","2020","44","19","8076","8084","10.1039/D0NJ00942C","","x-ray","0.71073","MoKα","","0.1151","0.0811","","","0.2125","0.2306","","","","","","1.041","","","","has coordinates","257765","2020-10-21","18:00:00",""
"7059516","17.3261","0.0006","11.7076","0.0003","28.3441","0.001","90","","106.766","0.004","90","","5505.1","0.3","170","0.12","170","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl5 Fe2 N4 -","- C50 H44 Cl5 Fe2 N4 -","- C200 H176 Cl20 Fe8 N16 -","4","1","","Lin, Wenhua; Zhang, Liping; Suo, Hongyi; Vignesh, Arumugam; Yousuf, Nighat; Hao, Xiang; Sun, Wen-Hua","Synthesis of characteristic polyisoprenes using rationally designed iminopyridyl metal (Fe and Co) precatalysts: investigation of co-catalysts and steric influence on their catalytic activity","New Journal of Chemistry","2020","44","19","8076","8084","10.1039/D0NJ00942C","","x-ray","1.54184","CuKα","","0.1374","0.1178","","","0.3074","0.3179","","","","","","2.033","","","","has coordinates","257765","2020-10-21","18:00:00",""
"7059517","8.9259","0.0002","13.515","0.0003","19.0721","0.0005","88.106","0.002","88.243","0.002","85.866","0.002","2292.57","0.09","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H0.5 Cl4 Co2 N4 -","- C50 H44 Cl4 Co2 N4 -","- C100 H88 Cl8 Co4 N8 -","2","1","","Lin, Wenhua; Zhang, Liping; Suo, Hongyi; Vignesh, Arumugam; Yousuf, Nighat; Hao, Xiang; Sun, Wen-Hua","Synthesis of characteristic polyisoprenes using rationally designed iminopyridyl metal (Fe and Co) precatalysts: investigation of co-catalysts and steric influence on their catalytic activity","New Journal of Chemistry","2020","44","19","8076","8084","10.1039/D0NJ00942C","","x-ray","0.71073","MoKα","","0.0644","0.0386","","","0.0839","0.0914","","","","","","1.051","","","","has coordinates","257765","2020-10-21","18:00:00",""
"7059518","10.5711","0.0007","10.4626","0.0006","7.7586","0.0006","90","","107.776","0.007","90","","817.14","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C36 H28 N12 O8 -","4","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","1.54184","CuKα","","0.045","0.0409","","","0.1157","0.1181","","","","","","1.055","","","","has coordinates","251002","2020-10-21","18:00:00",""
"7059519","4.8608","0.0001","24.6111","0.0003","10.3984","0.0002","90","","101.728","0.001","90","","1217.99","0.04","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C48 H52 N20 O8 -","4","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","1.54184","CuKα","","0.0417","0.0407","","","0.1071","0.1082","","","","","","1.076","","","","has coordinates","251002","2020-10-21","18:00:00",""
"7059520","24.9167","0.0006","7.5596","0.0002","15.5987","0.0004","90","","99.554","0.002","90","","2897.42","0.13","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C120 H136 N40 O16 -","8","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","1.54184","CuKα","","0.0429","0.0387","","","0.0993","0.1021","","","","","","1.059","","","","has coordinates","251002","2020-10-21","18:00:00",""
"7059521","10.269","0.0004","10.7223","0.0005","12.4618","0.0005","105.159","0.004","98.99","0.003","102.897","0.004","1256.94","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N6 O3 -","- C26 H26 N6 O3 -","- C52 H52 N12 O6 -","2","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","0.71073","MoKα","","0.085","0.0641","","","0.1659","0.1803","","","","","","1.049","","","","has coordinates,has disorder","251002","2020-10-21","18:00:00",""
"7059522","10.6331","0.0005","13.0935","0.0011","14.6411","0.0014","66.598","0.009","74.169","0.007","72.852","0.007","1759.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H35 Cl Cu F N6 O7.5 -","- C31 H44 Cl Cu F N6 O8 -","- C62 H88 Cl2 Cu2 F2 N12 O16 -","2","1","","Kumar, Manish; Kumar, Gyanendra; Masram, Dhanraj T.","Copper(ii) complexes containing enoxacin and heterocyclic ligands: synthesis, crystal structures and their biological perspectives","New Journal of Chemistry","2020","44","20","8595","8613","10.1039/D0NJ01192D","","","0.71073","MoKα","","0.1263","0.0977","","","0.2464","0.2662","","","","","","1.058","","","","has coordinates","257801","2020-10-21","18:00:00",""
"7059523","23.3802","0.001","30.3333","0.0012","7.5123","0.0003","90","","97.851","0.004","90","","5277.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.45 H11.64 Cl0.73 Cu0.73 N2.91 O4 -","- C17.4545 H11.6364 Cl0.727273 Cu0.727273 N2.90909 O4 -","- C192 H128 Cl8 Cu8 N32 O44 -","11","1.375","","Kumar, Manish; Kumar, Gyanendra; Masram, Dhanraj T.","Copper(ii) complexes containing enoxacin and heterocyclic ligands: synthesis, crystal structures and their biological perspectives","New Journal of Chemistry","2020","44","20","8595","8613","10.1039/D0NJ01192D","","","0.71073","MoKα","","0.1183","0.079","","","0.2517","0.285","","","","","","1.065","","","","has coordinates","257801","2020-10-21","18:00:00",""
"7059524","19.258","0.0008","13.3387","0.0005","18.2492","0.0008","90","","116.427","0.005","90","","4197.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H58 N16 O25 Zn4 -","- C88 H58 N16 O25 Zn4 -","- C176 H116 N32 O50 Zn8 -","2","0.25","","Wang, Qingxu; Ye, Zhejun; Shi, Guoqing; Guo, Kaimeng; Li, Gang","Proton conduction in two Cu/Zn dimer-based hydrogen-bonded supramolecular frameworks from imidazole multi-carboxylate","New Journal of Chemistry","2020","44","19","8098","8105","10.1039/D0NJ01189D","","x-ray","1.54184","CuKα","","0.0639","0.0522","","","0.1332","0.1387","","","","","","1.005","","","","has coordinates","257771","2020-10-21","18:00:00",""
"7059525","9.7608","0.0007","11.4406","0.0008","11.5187","0.0008","96.599","0.006","107.619","0.006","113.073","0.007","1087.14","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu2 N8 O15 -","- C48 H34 Cu2 N8 O15 -","- C48 H34 Cu2 N8 O15 -","1","0.5","","Wang, Qingxu; Ye, Zhejun; Shi, Guoqing; Guo, Kaimeng; Li, Gang","Proton conduction in two Cu/Zn dimer-based hydrogen-bonded supramolecular frameworks from imidazole multi-carboxylate","New Journal of Chemistry","2020","44","19","8098","8105","10.1039/D0NJ01189D","","","1.54184","CuKα","","0.0537","0.0429","","","0.1163","0.1262","","","","","","1.023","","","","has coordinates,has disorder","257771","2020-10-21","18:00:00",""
"7059526","17.0306","0.0006","15.5145","0.0006","10.2986","0.0004","90","","113.411","0.002","90","","2497.1","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N6 O2 S4 Zn -","- C22 H20 N6 O2 S4 Zn -","- C88 H80 N24 O8 S16 Zn4 -","4","0.5","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","1.54178","CuKα","","0.11","0.0757","","","0.1783","0.2018","","","","","","1.042","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059527","8.555","0.002","21.607","0.006","13.272","0.004","90","","98.413","0.004","90","","2426.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O2 Pd S4 -","- C22 H20 N6 O2 Pd S4 -","- C88 H80 N24 O8 Pd4 S16 -","4","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0909","0.063","","","0.1537","0.1693","","","","","","0.982","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059528","16.812","0.002","15.539","0.002","10.2873","0.0014","90","","112.258","0.002","90","","2487.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N6 Ni O2 S4 -","- C22 H20 N6 Ni O2 S4 -","- C88 H80 N24 Ni4 O8 S16 -","4","0.5","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0686","0.0421","","","0.1003","0.1093","","","","","","0.994","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059529","22.002","0.005","10.401","0.003","22.111","0.005","90","","90","","90","","5060","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N6 O2 Pt S4 -","- C22 H20 N6 O2 Pt S4 -","- C176 H160 N48 O16 Pt8 S32 -","8","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0785","0.0402","","","0.0799","0.0915","","","","","","1.005","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059530","8.4393","0.0016","11.765","0.002","14.287","0.003","86.938","0.003","81.286","0.003","74.585","0.002","1351.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N12 O5 S8 -","- C46 H46 N12 O5 S8 -","- C46 H46 N12 O5 S8 -","1","0.5","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.1036","0.0624","","","0.1506","0.1702","","","","","","1.011","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059531","4.5172","0.0002","13.5286","0.0005","19.8833","0.0007","90","","90","","90","","1215.1","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3Z)-3-({[(ethylsulfanyl)methanethioyl]amino}imino)-2,3-dihydro-1<i>H</i>-indole-2-one","","- C11 H11 N3 O S2 -","- C11 H11 N3 O S2 -","- C44 H44 N12 O4 S8 -","4","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","1.54178","CuKα","","0.0473","0.0461","","","0.1162","0.1173","","","","","","1.094","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059532","15.82","0.004","15.92","0.004","10.324","0.002","90","","108.978","0.003","90","","2458.8","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co N6 O2 S4 -","- C22 H20 Co N6 O2 S4 -","- C88 H80 Co4 N24 O8 S16 -","4","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0622","0.0405","","","0.0942","0.1018","","","","","","0.987","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059533","9.4384","0.0001","20.8406","0.0003","22.5998","0.0001","89.33","0.001","83.429","0.001","83.113","0.001","4384.35","0.08","173.01","0.1","173.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C85 H70 Cl2 S24 -","- C85 H70 Cl2 S24 -","- C170 H140 Cl4 S48 -","2","1","","Salami, Fatemeh; Zhao, Yuming","Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles","New Journal of Chemistry","2020","44","22","9179","9189","10.1039/D0NJ01495H","","x-ray","1.54184","CuKα","","0.0605","0.0539","","","0.1514","0.157","","","","","","1.036","","","","has coordinates","257661","2020-10-21","18:00:00",""
"7059534","12.8667","0.0002","19.3354","0.0003","20.7609","0.0003","99.025","0.001","99.075","0.001","97.79","0.001","4968.67","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 O S8 -","- C37 H28 O S8 -","- C222 H168 O6 S48 -","6","3","","Salami, Fatemeh; Zhao, Yuming","Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles","New Journal of Chemistry","2020","44","22","9179","9189","10.1039/D0NJ01495H","","x-ray","1.54184","CuKα","","0.0956","0.0743","","","0.1938","0.2122","","","","","","1.047","","","","has coordinates,has disorder","257661","2020-10-21","18:00:00",""
"7059535","9.32","0.0001","10.2529","0.0002","35.0079","0.0005","90","","92.202","0.001","90","","3342.78","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 S4 -","- C36 H50 S4 -","- C144 H200 S16 -","4","1","","Salami, Fatemeh; Zhao, Yuming","Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles","New Journal of Chemistry","2020","44","22","9179","9189","10.1039/D0NJ01495H","","x-ray","1.54184","CuKα","","0.0758","0.0638","","","0.1731","0.1868","","","","","","1.058","","","","has coordinates","257661","2020-10-21","18:00:00",""
"7059536","7.2762","0.0003","11.2625","0.0003","25.8472","0.0007","88.871","0.002","86.314","0.003","89.709","0.002","2113.32","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","[2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))diphenolato]bis(methanol)tetraoxo-di-molybdenum(vi)","","- C17 H18 Mo2 N4 O9 -","- C17 H18 Mo2 N4 O9 -","- C68 H72 Mo8 N16 O36 -","4","2","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","","0.71073","MoKα","","0.0597","0.0529","","","0.1176","0.1205","","","","","","1.194","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059537","7.4466","0.0004","13.857","0.0009","14.064","0.0008","112.516","0.005","98.637","0.004","97.085","0.005","1299.16","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(3-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)methanol solvate","","- C19.64 H22 Mo2 N4 O11.64 -","- C19.64 H22 Mo2 N4 O11.64 -","- C39.28 H44 Mo4 N8 O23.28 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.1156","0.0633","","","0.1267","0.1477","","","","","","1.051","","","","has coordinates,has disorder","257773","2020-10-21","18:00:00",""
"7059538","8.2715","0.0003","12.1751","0.0005","15.0901","0.0005","85.958","0.003","87.645","0.003","81.166","0.003","1497.2","0.1","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)) di(3-methoxyphenolato))bis(imidazol)tetraoxo-di-molybdenum(vi) acetonitrile solvate","","- C25 H25 Mo2 N9 O9 -","- C25 H25 Mo2 N9 O9 -","- C50 H50 Mo4 N18 O18 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","","0.71073","MoKα","","0.0508","0.0344","","","0.0723","0.0803","","","","","","1.061","","","","has coordinates,has disorder","257773","2020-10-21","18:00:00",""
"7059539","9.6337","0.0005","11.0989","0.0006","13.1012","0.0008","112.619","0.005","98.807","0.005","94.858","0.004","1261.91","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(3-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)methanol solvate","","- C20 H26 Mo2 N4 O12 -","- C20 H26 Mo2 N4 O12 -","- C40 H52 Mo4 N8 O24 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.0521","0.0364","","","0.0859","0.0968","","","","","","1.045","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059540","8.692","0.0004","26.743","0.0008","11.6059","0.0004","90","","96.219","0.004","90","","2681.92","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))diphenolato)bis(imidazol)tetraoxo-di-molybdenum(vi)) acetonitrile solvate","","- C23 H21 Mo2 N9 O7 -","- C23 H21 Mo2 N9 O7 -","- C92 H84 Mo8 N36 O28 -","4","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.0865","0.0472","","","0.0853","0.0977","","","","","","1.019","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059541","9.3305","0.0008","10.2881","0.0007","18.0461","0.0016","90","","104.692","0.008","90","","1675.7","0.2","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis[(E)-[(2-hydroxy-4-methoxyphenyl)methylidene]amino]urea","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","0.5","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.1372","0.0664","","","0.1061","0.1242","","","","","","1.053","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059542","8.6152","0.0004","13.1856","0.0007","15.5721","0.0008","75.325","0.004","74.393","0.004","85.158","0.004","1647.89","0.15","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(4-methoxyphenolato))bis(imidazol)tetraoxo-di-molybdenum(vi)acetonitrile solvate","","- C27 H28 Mo2 N10 O9 -","- C27 H28 Mo2 N10 O9 -","- C54 H56 Mo4 N20 O18 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","","0.71073","MoKα","","0.0724","0.0443","","","0.0906","0.1001","","","","","","1.021","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059543","7.4676","0.0003","11.7394","0.0004","14.8772","0.0006","105.949","0.003","103.394","0.003","96.009","0.003","1199.98","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(4-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)","","- C19 H22 Mo2 N4 O11 -","- C19 H22 Mo2 N4 O11 -","- C38 H44 Mo4 N8 O22 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.0783","0.0433","","","0.0814","0.0929","","","","","","1.001","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059544","19.1994","0.0004","24.9081","0.0005","14.312","0.0003","90","","120.352","0.002","90","","5906.2","0.2","100","0.1","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H174 Co2 N4 O16 -","- C120 H174 Co2 N4 O16 -","- C240 H348 Co4 N8 O32 -","2","0.5","","Wang, Jin-Hua; Dai, Jing-Wei; Li, Zhao-Yang; Yamashita, Masahiro","Strong antiferromagnetic coupling of the cobalt(ii)‒semiquinone radical in a dinuclear complex with 2,2′-bipyrimidine ligands","New Journal of Chemistry","2020","44","20","8471","8476","10.1039/D0NJ00767F","","","1.54178","CuKα","","0.0603","0.0577","","","0.1493","0.1512","","","","","","1.047","","","","has coordinates,has disorder","257802","2020-10-21","18:00:00",""
"7059545","19.2493","0.0004","25.2702","0.0005","14.4843","0.0003","90","","120.098","0.002","90","","6095.7","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H174 Co2 N4 O16 -","- C120 H174 Co2 N4 O16 -","- C240 H348 Co4 N8 O32 -","2","0.5","","Wang, Jin-Hua; Dai, Jing-Wei; Li, Zhao-Yang; Yamashita, Masahiro","Strong antiferromagnetic coupling of the cobalt(ii)‒semiquinone radical in a dinuclear complex with 2,2′-bipyrimidine ligands","New Journal of Chemistry","2020","44","20","8471","8476","10.1039/D0NJ00767F","","","1.54178","CuKα","","0.075","0.0693","","","0.2099","0.2168","","","","","","1.102","","","","has coordinates,has disorder","257802","2020-10-21","18:00:00",""
"7059546","9.5266","0.0014","11.5135","0.0018","11.6248","0.0016","85.994","0.004","70.409","0.004","78.478","0.005","1177","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 N6 O14 Tb2 -","- C33 H18 N6 O14 Tb2 -","- C33 H18 N6 O14 Tb2 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0177","0.0172","","","0.0537","0.054","","","","","","0.708","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059547","8.8627","0.0005","20.0366","0.0016","23.0324","0.0014","90","","90","","90","","4090.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N O9 -","- C45 H45 N O9 -","- C180 H180 N4 O36 -","4","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","1.54178","CuKα","","0.153","0.0642","","","0.0903","0.1137","","","","","","0.999","","","","has coordinates,has disorder","257870","2020-10-21","18:00:00",""
"7059548","9.6157","0.0003","11.5773","0.0003","11.719","0.0003","85.891","0.001","69.801","0.001","78.732","0.001","1200.76","0.06","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 N6 O14 Sm2 -","- C33 H18 N6 O14 Sm2 -","- C33 H18 N6 O14 Sm2 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0214","0.0204","","","0.0622","0.0636","","","","","","0.596","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059549","9.6328","0.0004","11.5511","0.0004","11.6966","0.0004","86.012","0.001","69.948","0.001","78.615","0.001","1198.52","0.08","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 Eu2 N6 O14 -","- C33 H18 Eu2 N6 O14 -","- C33 H18 Eu2 N6 O14 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0218","0.0208","","","0.0648","0.0657","","","","","","0.731","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059550","20.7267","0.0005","13.0349","0.0011","10.1701","0.0002","90","","90","","90","","2747.7","0.2","150","","150","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C26 H34 N4 O2 Pb Se2 -","- C26 H34 N4 O2 Pb Se2 -","- C104 H136 N16 O8 Pb4 Se8 -","4","0.5","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0316","0.0254","","","0.043","0.0461","","","","","","0.99","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059551","8.1942","0.0007","10.8431","0.0008","11.8118","0.0012","64.775","0.008","69.712","0.008","80.596","0.006","890.36","0.15","149.9","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Cl N2 O Se -","- C16 H23 Cl N2 O Se -","- C32 H46 Cl2 N4 O2 Se2 -","2","1","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0389","0.032","","","0.0661","0.0699","","","","","","1.052","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059552","10.6871","0.0005","15.844","0.0006","10.4873","0.0004","90","","103.813","0.004","90","","1724.42","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl N2 O Se -","- C16 H23 Cl N2 O Se -","- C64 H92 Cl4 N8 O4 Se4 -","4","1","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0405","0.0314","","","0.0712","0.0758","","","","","","1.023","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059553","14.1737","0.0002","14.1942","0.0002","16.5168","0.0002","90","","95.0944","0.0016","90","","3309.8","0.08","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N6 O6 Pb Se2 -","- C32 H28 N6 O6 Pb Se2 -","- C128 H112 N24 O24 Pb4 Se8 -","4","1","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0434","0.0308","","","0.0646","0.07","","","","","","1.036","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059554","17.9384","0.0005","19.0184","0.0012","10.4156","0.0004","90","","90","","90","","3553.4","0.3","150","","150","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C32 H44 Cl2 N4 O2 Pb Se2 -","- C32 H44 Cl2 N4 O2 Pb Se2 -","- C128 H176 Cl8 N16 O8 Pb4 Se8 -","4","0.5","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0299","0.0238","","","0.0465","0.0489","","","","","","1.039","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059555","24.316","0.006","12.941","0.003","13.661","0.003","90","","110.771","0.005","90","","4019.4","1.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 N5 O4 Zn -","- C23 H15 N5 O4 Zn -","- C184 H120 N40 O32 Zn8 -","8","1","","Tang, Jing; Feng, Doudou; Yang, Jie; Ma, Xuehui; Wang, Xiao-Qing","A turn-on luminescent probe for Fe3+ and ascorbic acid with logic gate operation based on a zinc(ii)-based metal‒organic framework","New Journal of Chemistry","2020","44","21","8728","8735","10.1039/D0NJ01349H","","","0.71073","MoKα","","0.2949","0.0971","","","0.0886","0.1216","","","","","","1.002","","","","has coordinates","257869","2020-10-21","18:00:00",""
"7059556","37.913","0.005","6.9331","0.0009","16.006","0.002","90","","102.15","0.005","90","","4113","0.9","100","2","100.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H0 N O3 Rh -","- C23.5 N O4 Rh -","- C188 N8 O32 Rh8 -","8","1","","Sekoto, Pamela N.; Magengenene, Tseliso M.; Matsinha, Leah C.; Tia, Richard; Darkwa, James; Makhubela, Banothile C. E.","Catalytic isomerization‒hydroformylation of olefins by rhodium salicylaldimine pre-catalysts","New Journal of Chemistry","2020","44","21","8751","8762","10.1039/D0NJ01970D","","","0.71073","MoKα","","0.0647","0.0559","","","0.1657","0.1743","","","","","","1.052","","","","has coordinates","257875","2020-10-21","18:00:00",""
"7059557","15.8426","0.0017","7.9016","0.0006","13.7208","0.0014","90","","90.146","0.009","90","","1717.6","0.3","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 I2 O4 -","- C16 H12 I2 O4 -","- C64 H48 I8 O16 -","4","0.5","","Norouzi, Fataneh; Khavasi, Hamid Reza","Iodine decorated-UiO-67 MOF as a fluorescent sensor for the detection of halogenated aromatic hydrocarbons","New Journal of Chemistry","2020","44","21","8937","8943","10.1039/D0NJ01149E","","","0.71073","MoKα","","0.0678","0.042","","","0.1068","0.1363","","","","","","1.005","","","","has coordinates","257866","2020-10-21","18:00:00",""
"7059558","14.0549","0.0007","8.6729","0.0004","20.6537","0.0009","90","","90.332","0.002","90","","2517.6","0.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 F N4 O5 -","- C29 H23 F N4 O5 -","- C116 H92 F4 N16 O20 -","4","1","","Yue, Guizhou; Dou, Zhengjie; Zhou, Zexi; Zhang, Li; Feng, Juhua; Chen, Huabao; Yin, Zhongqiong; Song, Xu; Liang, Xiaoxia; Wang, Xianxiang; Rao, Hanbing; Lu, Cuifen","Rapid abnormal [3+2]-cycloaddition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones","New Journal of Chemistry","2020","44","21","8813","8817","10.1039/D0NJ00887G","","","0.71073","MoKα","","0.0717","0.0533","","","0.1245","0.139","","","","","","1.015","","","","has coordinates","257868","2020-10-21","18:00:00",""
"7059559","18.3533","0.0009","6.6978","0.0003","28.1756","0.0017","90","","95.001","0.001","90","","3450.3","0.3","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C50 H44 Cd2 N10 O16 -","- C50 H44 Cd2 N10 O16 -","- C100 H88 Cd4 N20 O32 -","2","0.5","","Meng, Lingshu; Zhao, Lun; Guo, Guanlin; Liu, Xin","Multifunctional polymers with interpenetrating structures: luminescence sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes","New Journal of Chemistry","2020","44","21","9025","9036","10.1039/D0NJ01066A","","","0.71073","MoKα","","0.0675","0.0529","","","0.1506","0.1647","","","","","","1.129","","","","has coordinates,has disorder","257864","2020-10-21","18:00:00",""
"7059560","22.455","0.001","13.5382","0.0006","24.5285","0.001","90","","112.062","0.001","90","","6910.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H66 N12 O11 Zn2 -","- C68 H66 N12 O11 Zn2 -","- C272 H264 N48 O44 Zn8 -","4","0.5","","Meng, Lingshu; Zhao, Lun; Guo, Guanlin; Liu, Xin","Multifunctional polymers with interpenetrating structures: luminescence sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes","New Journal of Chemistry","2020","44","21","9025","9036","10.1039/D0NJ01066A","","","0.71073","MoKα","","0.0998","0.0718","","","0.219","0.2518","","","","","","1.069","","","","has coordinates","257864","2020-10-21","18:00:00",""
"7059561","23.392","0.004","11.662","0.002","27.06","0.005","90","","90","","90","","7382","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H54 N10 O15 Zn2 -","- C64 H54 N10 O15 Zn2 -","- C256 H216 N40 O60 Zn8 -","4","0.5","","Meng, Lingshu; Zhao, Lun; Guo, Guanlin; Liu, Xin","Multifunctional polymers with interpenetrating structures: luminescence sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes","New Journal of Chemistry","2020","44","21","9025","9036","10.1039/D0NJ01066A","","","0.71073","MoKα","","0.1755","0.0975","","","0.2779","0.3464","","","","","","1.183","","","","has coordinates,has disorder","257864","2020-10-21","18:00:00",""
"7059566","16.1535","0.0017","12.4948","0.0011","12.4545","0.0011","90","","98.085","0.004","90","","2488.8","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N7 Ni O2 -","- C28 H21 N7 Ni O2 -","- C112 H84 N28 Ni4 O8 -","4","1","","Ay, Burak; Şahin, Onur; Saygıdeğer Demir, Burcu; Saygideger, Yasemin; López-de-Luzuriaga, José M.; Mahmoudi, Ghodrat; Safin, Damir A.","Antitumor effects of novel nickel‒hydrazone complexes in lung cancer cells","New Journal of Chemistry","2020","44","21","9064","9072","10.1039/D0NJ00921K","","","0.71073","MoKα","","0.1147","0.0958","","","0.2056","0.2131","","","","","","1.16","","","","has coordinates","257867","2020-10-21","18:00:00",""
"7059567","20.8653","0.0016","13.1792","0.0008","22.2353","0.0017","90","","101.273","0.003","90","","5996.5","0.7","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H50 N16 Ni2 O3 S4 -","- C58 H50 N16 Ni2 O3 S4 -","- C232 H200 N64 Ni8 O12 S16 -","4","1","","Ay, Burak; Şahin, Onur; Saygıdeğer Demir, Burcu; Saygideger, Yasemin; López-de-Luzuriaga, José M.; Mahmoudi, Ghodrat; Safin, Damir A.","Antitumor effects of novel nickel‒hydrazone complexes in lung cancer cells","New Journal of Chemistry","2020","44","21","9064","9072","10.1039/D0NJ00921K","","","0.71073","MoKα","","0.1426","0.1035","","","0.1691","0.1938","","","","","","1.239","","","","has coordinates","257867","2020-10-21","18:00:00",""
"7059568","13.2006","0.0011","14.2388","0.0011","17.0243","0.0012","113.018","0.003","103.338","0.004","97.93","0.004","2771.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H57 N8 O8 S2 -","- C60 H57 N8 O8 S2 -","- C120 H114 N16 O16 S4 -","2","1","","Singh, Ruby; Saini, Munna Ram; Bhardwaj, Diksha; Singh, Aakash","An expedient synthesis of new imino-thiazolidinone grafted dispiro-pyrrolidine-oxindole/indeno hybrids via a multicomponent [3+2] cycloaddition reaction in a deep eutectic solvent","New Journal of Chemistry","2020","44","19","7923","7931","10.1039/D0NJ00801J","","","0.71073","MoKα","","0.0873","0.0554","","","0.1612","0.2025","","","","","","0.845","","","","has coordinates","257768","2020-10-21","18:00:00",""
"7059569","14.2043","0.001","15.2626","0.0012","16.5652","0.0014","96.328","0.003","111.526","0.003","114.217","0.003","2899.3","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C124 H110 Dy4 N6 O26 -","- C124 H110 Dy4 N6 O26 -","- C124 H110 Dy4 N6 O26 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.0918","0.0497","","","0.1196","0.1421","","","","","","1.044","","","","has coordinates,has disorder","257804","2020-10-21","18:00:00",""
"7059570","14.6067","0.0009","15.2182","0.0009","16.7747","0.0011","97.174","0.003","111.732","0.003","113.278","0.003","3016.8","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H122 Dy4 N6 O26 -","- C130 H122 Dy4 N6 O26 -","- C130 H122 Dy4 N6 O26 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.0874","0.0442","","","0.0965","0.113","","","","","","1.009","","","","has coordinates,has disorder","257804","2020-10-21","18:00:00",""
"7059571","14.627","0.0008","15.2556","0.0009","16.3344","0.001","96.483","0.003","111.337","0.002","113.055","0.003","2982","0.3","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C134 H126 Dy4 N6 O24 -","- C134 H126 Dy4 N6 O24 -","- C134 H126 Dy4 N6 O24 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.0755","0.0393","","","0.088","0.1017","","","","","","1.022","","","","has coordinates","257804","2020-10-21","18:00:00",""
"7059572","14.7864","0.001","15.1898","0.001","16.7985","0.001","97.43","0.003","112.097","0.003","112.311","0.003","3066.8","0.4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H118 Dy4 N6 O24 -","- C130 H118 Dy4 N6 O24 -","- C130 H118 Dy4 N6 O24 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.109","0.0659","","","0.1529","0.1773","","","","","","1.055","","","","has coordinates,has disorder","257804","2020-10-21","18:00:00",""
"7059573","11.0012","0.001","13.1453","0.0011","12.5273","0.0012","90","","101.791","0.004","90","","1773.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cd N3 O4 -","- C17 H17 Cd N3 O4 -","- C68 H68 Cd4 N12 O16 -","4","1","","Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Lapa, Hugo M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Cd(ii) coordination compounds as heterogeneous catalysts for microwave-assisted peroxidative oxidation of toluene and 1-phenylethanol","New Journal of Chemistry","2020","44","22","9163","9171","10.1039/D0NJ01408G","","","0.71073","MoKα","","0.0359","0.0293","","","0.0728","0.0754","","","","","","1.164","","","","has coordinates","257665","2020-10-21","18:00:00",""
"7059574","12.732","0.002","12.938","0.002","13.914","0.002","90","","113.651","0.006","90","","2099.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cd2 N8 O10 -","- C38 H44 Cd2 N8 O10 -","- C76 H88 Cd4 N16 O20 -","2","0.5","","Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Lapa, Hugo M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Cd(ii) coordination compounds as heterogeneous catalysts for microwave-assisted peroxidative oxidation of toluene and 1-phenylethanol","New Journal of Chemistry","2020","44","22","9163","9171","10.1039/D0NJ01408G","","","0.71073","MoKα","","0.0277","0.0208","","","0.0494","0.0533","","","","","","1.12","","","","has coordinates","257665","2020-10-21","18:00:00",""
"7059575","27.018","0.003","6.1841","0.0007","26.339","0.004","90","","115.487","0.004","90","","3972.5","0.9","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 Br4 N4 -","- C44 H26 Br4 N4 -","- C176 H104 Br16 N16 -","4","0.5","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.052","0.0358","","","0.07","0.0754","","","","","","1.041","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059576","10.3027","0.0002","13.2085","0.0003","13.4634","0.0003","94.2432","0.0018","94.4958","0.0016","98.376","0.0018","1800.23","0.07","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N4 O4 Pb4 -","- C29 H21 N3 O9 Pb2 -","- C58 H42 N6 O18 Pb4 -","2","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0475","0.0354","","","0.0926","0.0965","","","","","","1.105","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059577","10.285","0.0003","13.307","0.0003","13.326","0.0003","102.181","0.002","97.698","0.002","94.222","0.002","1756.9","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28.5 N3.5 O9 Pb2 -","- C32 H28.5 N3.5 O9 Pb2 -","- C64 H57 N7 O18 Pb4 -","2","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0403","0.0334","","","0.0958","0.0987","","","","","","1.092","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059578","11.171","0.002","21.929","0.005","9.307","0.002","90","","114.257","0.014","90","","2078.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N3 O3 -","- C23 H18 Cl N3 O3 -","- C92 H72 Cl4 N12 O12 -","4","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","","0.71073","MoKα","","0.0908","0.0437","","","0.1246","0.1637","","","","","","0.931","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059579","8.7392","0.0002","6.8776","0.0002","16.1637","0.0003","90","","91.368","0.002","90","","971.24","0.04","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene-Fluoranil","Coronene-Tetrafluoro-1,4-benzoquinone","","- C30 H12 F4 O2 -","- C30 H12 F4 O2 -","- C60 H24 F8 O4 -","2","0.5","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","1.54184","CuKα","","0.0518","0.0383","","","0.0977","0.1082","","","","","","1.053","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059580","10.3203","0.0002","13.2585","0.0003","13.503","0.0003","93.919","0.002","94.862","0.002","98.199","0.002","1816.1","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N3 O9 Pb2 -","- C30 H20 N3 O9 Pb2 -","- C60 H40 N6 O18 Pb4 -","2","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0416","0.03","","","0.0711","0.0742","","","","","","1.059","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059581","17.2929","0.0004","17.2929","0.0004","20.2996","0.0004","90","","90","","120","","5257.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C276 H14 N2 O9 Pb3 -","- C26 H14 N2 O9 Pb3 -","- C156 H84 N12 O54 Pb18 -","6","0.5","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0216","0.0199","","","0.0669","0.0764","","","","","","1.215","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059582","34.2808","0.0008","19.8399","0.0004","18.1612","0.0004","90","","102.818","0.002","90","","12044.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Mn3 N O19 -","- C33 H24 Mn3 N O19 -","- C264 H192 Mn24 N8 O152 -","8","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","1.54184","CuKα","","0.1111","0.0984","","","0.2865","0.3008","","","","","","1.063","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059583","8.9808","0.0014","19.684","0.003","21.185","0.003","90","","99.11","0.002","90","","3697.8","1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","22-FG","","","- C38 H28 Bi Cl3 N6 -","- C38 H28 Bi Cl3 N6 -","- C152 H112 Bi4 Cl12 N24 -","4","1","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Miroslaw, Barbara; Qu, Fengrui; Gupta, Arunava; Frontera, Antonio; Zubkov, Fedor I.; Zangrando, Ennio; Safin, Damir A.","Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure","New Journal of Chemistry","2020","44","22","9429","9437","10.1039/D0NJ00930J","","","0.71073","MoKα","","0.0478","0.0278","","","0.0519","0.0576","","","","","","1.033","","","","has coordinates","257664","2020-10-21","18:00:00",""
"7059584","7.5632","0.0004","11.7963","0.0005","19.9471","0.0009","74.681","0.002","79.486","0.003","86.386","0.003","1687.38","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Bi Cl5 N6 O5 -","- C28 H30 Bi Cl5 N6 O5 -","- C56 H60 Bi2 Cl10 N12 O10 -","2","1","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Miroslaw, Barbara; Qu, Fengrui; Gupta, Arunava; Frontera, Antonio; Zubkov, Fedor I.; Zangrando, Ennio; Safin, Damir A.","Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure","New Journal of Chemistry","2020","44","22","9429","9437","10.1039/D0NJ00930J","","","0.71073","MoKα","","0.0486","0.0353","","","0.0653","0.0697","","","","","","1.03","","","","has coordinates,has disorder","257664","2020-10-21","18:00:00",""
"7059585","9.7946","0.0006","10.8464","0.0007","19.8519","0.0011","78.441","0.005","81.825","0.005","77.913","0.005","2009.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Ca I N3 O3 -","- C44 H50 Ca I N3 O3 -","- C88 H100 Ca2 I2 N6 O6 -","2","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.0687","0.0543","","","0.1348","0.1446","","","","","","1.073","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059586","11.6395","0.001","12.1693","0.0009","15.5997","0.0012","70.473","0.007","88.531","0.007","78.573","0.007","2039.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Ba I N3 O3 -","- C44 H50 Ba I N3 O3 -","- C88 H100 Ba2 I2 N6 O6 -","2","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.0436","0.0391","","","0.1006","0.1053","","","","","","1.02","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059587","12.2239","0.0008","9.7744","0.0003","12.6531","0.0006","90","","115.025","0.007","90","","1369.89","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","0.71073","MoKα","","0.0787","0.052","","","0.1247","0.1415","","","","","","1.062","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059588","9.8088","0.0007","10.727","0.0007","20.2376","0.0014","78.773","0.006","81.432","0.006","76.264","0.006","2017.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 I N3 O3 Sr -","- C44 H50 I N3 O3 Sr -","- C88 H100 I2 N6 O6 Sr2 -","2","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.0393","0.0378","","","0.1039","0.1057","","","","","","1.039","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059589","12.0821","0.0002","26.7914","0.0007","19.1056","0.0004","90","","125.423","0.002","90","","5039.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H52 Ba N6 -","- C64 H52 Ba N6 -","- C256 H208 Ba4 N24 -","4","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.044","0.0369","","","0.0922","0.0983","","","","","","1.0571","","","","has coordinates,has disorder","257663","2020-10-21","18:00:00",""
"7059590","23.0048","0.0004","5.5362","0.0001","18.3917","0.0003","90","","106.522","0.001","90","","2245.64","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N4 S -","- C30 H20 N4 S -","- C120 H80 N16 S4 -","4","1","","Panda, Satyajit; Jat, Ram Singh; Fayaz, Amir; Saha, Jony; Thirumoorthi, Ramalingam; Roy, Tapta Kanchan; Bhanuchandra, M.","Conjugated small organic molecules: synthesis and characterization of 4-arylpyrazole-decorated dibenzothiophenes","New Journal of Chemistry","2020","44","21","8944","8951","10.1039/D0NJ01887B","","","0.71073","MoKα","","0.0453","0.0354","","","0.0853","0.0905","","","","","","1.029","","","","has coordinates","257871","2020-10-21","18:00:00",""
"7059591","8.2558","0.0012","24.884","0.004","17.45","0.002","90","","90","","90","","3584.9","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N3 S -","- C22 H17 N3 S -","- C176 H136 N24 S8 -","8","2","","Shaikh, Ahad; Mukherjee, Pallabi; Ta, Sabyasachi; Bhattacharyya, Arunasis; Ghosh, Abhijit; Das, Debasis","Oxidative cyclization of thiosemicarbazide: a chemodosimetric approach for the highly selective fluorescence detection of cerium(iv)","New Journal of Chemistry","2020","44","22","9452","9455","10.1039/D0NJ01100B","","","0.71073","MoKα","","0.0984","0.0512","","","0.1072","0.1298","","","","","","1.009","","","","has coordinates","257662","2020-10-21","18:00:00",""
"7059592","10.156","0.0004","14.384","0.0005","17.1787","0.0007","103.925","0.002","99.209","0.002","93.1","0.002","2393.13","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 S -","- C20 H14 N2 S -","- C120 H84 N12 S6 -","6","3","","Shaikh, Ahad; Mukherjee, Pallabi; Ta, Sabyasachi; Bhattacharyya, Arunasis; Ghosh, Abhijit; Das, Debasis","Oxidative cyclization of thiosemicarbazide: a chemodosimetric approach for the highly selective fluorescence detection of cerium(iv)","New Journal of Chemistry","2020","44","22","9452","9455","10.1039/D0NJ01100B","","","0.71073","MoKα","","0.1297","0.0563","","","0.1511","0.204","","","","","","0.971","","","","has coordinates","257662","2020-10-21","18:00:00",""
"7059593","9.8195","0.0003","27.7518","0.001","9.3876","0.0003","90","","115.091","0.001","90","","2316.8","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Co N2 O6 -","- C26 H22 Co N2 O6 -","- C104 H88 Co4 N8 O24 -","4","0.5","","Ahmed, Faruk; Datta, Joydeep; Khan, Samim; Dutta, Basudeb; Islam, Sakhiul; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Linear dicarboxylate-based pyridyl-appended cobalt(ii) coordination polymers in search of opto-electronic properties","New Journal of Chemistry","2020","44","21","9004","9009","10.1039/D0NJ00567C","","","0.71073","MoKα","","0.0813","0.0762","","","0.1975","0.2022","","","","","","1.071","","","","has coordinates,has disorder","257873","2020-10-21","18:00:00",""
"7059594","9.3188","0.0006","33.926","0.002","9.8051","0.0006","90","","117.483","0.003","90","","2750.1","0.3","293","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br2 Co N2 O7 -","- C26 H20 Br2 Co N2 O7 -","- C104 H80 Br8 Co4 N8 O28 -","4","0.5","","Ahmed, Faruk; Datta, Joydeep; Khan, Samim; Dutta, Basudeb; Islam, Sakhiul; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Linear dicarboxylate-based pyridyl-appended cobalt(ii) coordination polymers in search of opto-electronic properties","New Journal of Chemistry","2020","44","21","9004","9009","10.1039/D0NJ00567C","","","0.71073","MoKα","","0.1081","0.0778","","","0.219","0.263","","","","","","1.077","","","","has coordinates","257873","2020-10-21","18:00:00",""
"7059595","11.5749","0.0003","8.9564","0.0002","12.5886","0.0004","90","","116.214","0.001","90","","1170.83","0.06","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.35 H1.74 N0.35 O0.26 -","- C2.34783 H1.73913 N0.347826 O0.26087 -","- C54 H40 N8 O6 -","23","11.5","","Gao, Yuan; Wang, Xiaonan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Asymmetric synthesis of spirooxindole‒pyranoindole products via Friedel‒Crafts alkylation/cyclization of the indole carbocyclic ring","New Journal of Chemistry","2020","44","23","9788","9792","10.1039/D0NJ00074D","","","0.71073","MoKα","","0.0766","0.043","","","0.0942","0.1147","","","","","","1.022","","","","has coordinates","257862","2020-10-21","18:00:00",""
"7059596","25.3875","0.0018","17.4829","0.0011","23.7829","0.0016","90","","104.6","0.002","90","","10215.1","1.2","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 N6 Nd3 O24 -","- C106 H89 N6 Nd3 O19 -","- C424 H356 N24 Nd12 O76 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0955","0.056","","","0.14","0.1682","","","","","","1.041","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059597","25.1868","0.0014","17.637","0.0009","23.6022","0.0013","90","","102.354","0.002","90","","10241.8","1","150","2","149.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 Dy3 N6 O24 -","- C106 H89 Dy3 N6 O19 -","- C424 H356 Dy12 N24 O76 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0927","0.0557","","","0.1328","0.1599","","","","","","1.013","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059598","25.4366","0.0018","17.6782","0.001","23.8657","0.0015","90","","104.017","0.003","90","","10412.2","1.2","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H99 Cl2 N6 O21 Sm3 -","- C103 H77 N6 O16 Sm3 -","- C412 H308 N24 O64 Sm12 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0899","0.0515","","","0.127","0.1545","","","","","","1.055","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059599","25.3968","0.0015","17.4468","0.0009","23.7526","0.0011","90","","104.614","0.0019","90","","10184.1","0.9","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H92 Cl6 Ho3 N6 O18 -","- C103 H78 Ho3 N6 O16 -","- C412 H312 Ho12 N24 O64 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0804","0.0456","","","0.1113","0.1329","","","","","","1.042","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059600","25.1172","0.0019","17.8025","0.0012","23.5489","0.0014","90","","101.714","0.002","90","","10310.6","1.2","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 N6 O24 Tb3 -","- C106 H89 N6 O19 Tb3 -","- C424 H356 N24 O76 Tb12 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0951","0.0559","","","0.1381","0.1725","","","","","","1.043","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059601","16.9051","0.0011","26.5476","0.0018","24.844","0.002","90","","94.078","0.003","90","","11121.5","1.4","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H100 Cl6 Gd3 N6 O20 -","- C105 H86 Gd3 N6 O18 -","- C420 H344 Gd12 N24 O72 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.14","0.07","","","0.1859","0.2303","","","","","","1.013","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059602","25.5411","0.0015","17.4414","0.001","23.8773","0.0013","90","","104.429","0.0017","90","","10301.2","1","150","2","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 Er3 N6 O24 -","- C107 H93 Er3 N6 O20 -","- C428 H372 Er12 N24 O80 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0866","0.0556","","","0.136","0.1593","","","","","","1.079","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059603","6.4603","0.0008","10.1472","0.0009","10.7225","0.0012","90","","90","","90","","702.9","0.13","151.88","","151.88","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H3 N5 O5 -","- C3 H3 N5 O5 -","- C12 H12 N20 O20 -","4","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.0467","0.0371","","","0.0827","0.0871","","","","","","1.054","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059604","5.1255","0.0005","7.7153","0.0007","9.3101","0.0009","99.722","0.005","96.581","0.005","103.924","0.005","347.55","0.06","150","2","150.18","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H3 N7 O3 -","- C3 H3 N7 O3 -","- C6 H6 N14 O6 -","2","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.0575","0.0374","","","0.0827","0.0911","","","","","","1.047","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059605","8.598","0.002","7.585","0.002","14.53","0.004","90","","95.064","0.008","90","","943.9","0.4","150","2","150.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N6 O6 -","- C4 H8 N6 O6 -","- C16 H32 N24 O24 -","4","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.1059","0.0639","","","0.1162","0.1358","","","","","","1.075","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059606","8.6101","0.0008","6.402","0.0007","10.0437","0.0009","90","","93.826","0.004","90","","552.39","0.09","150","2","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 N4 O3 -","- C3 H4 N4 O3 -","- C12 H16 N16 O12 -","4","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.0529","0.037","","","0.0898","0.0986","","","","","","1.077","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059607","12.2768","0.0004","17.7955","0.0005","16.8416","0.0005","90","","93.154","0.001","90","","3673.84","0.19","296","2","296.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 F6 Fe N2 O3 P Pd Ru -","- C38 H39 F6 Fe N2 O3 P Pd Ru -","- C152 H156 F24 Fe4 N8 O12 P4 Pd4 Ru4 -","4","1","","Celedón, Salvador; Roisnel, Thierry; Artigas, Vania; Fuentealba, Mauricio; Carrillo, David; Ledoux-Rak, Isabelle; Hamon, Jean-René; Manzur, Carolina","Palladium(ii) complexes of tetradentate donor‒acceptor Schiff base ligands: synthesis and spectral, structural, thermal and NLO properties","New Journal of Chemistry","2020","44","22","9190","9201","10.1039/D0NJ01982H","","","0.71073","MoKα","","0.0735","0.0454","","","0.1038","0.1215","","","","","","1.035","","","","has coordinates,has disorder","257666","2020-10-21","18:00:00",""
"7059608","7.2722","0.0003","12.5064","0.0005","14.6658","0.0006","101.63","0.002","90.256","0.002","102.051","0.002","1276.15","0.09","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H26 Fe N2 O6 Pd -","- C29 H26 Fe N2 O6 Pd -","- C58 H52 Fe2 N4 O12 Pd2 -","2","1","","Celedón, Salvador; Roisnel, Thierry; Artigas, Vania; Fuentealba, Mauricio; Carrillo, David; Ledoux-Rak, Isabelle; Hamon, Jean-René; Manzur, Carolina","Palladium(ii) complexes of tetradentate donor‒acceptor Schiff base ligands: synthesis and spectral, structural, thermal and NLO properties","New Journal of Chemistry","2020","44","22","9190","9201","10.1039/D0NJ01982H","","x-ray","0.71073","MoKα","","0.0552","0.0367","","","0.0935","0.1045","","","","","","0.958","","","","has coordinates","257666","2020-10-21","18:00:00",""
"7059609","12.885","0.0004","7.0118","0.0002","18.0443","0.0006","90","","103.201","0.001","90","","1587.17","0.09","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AB124","","","- C10 H14 Br3 Cu N4 S -","- C10 H14 Br3 Cu N4 S -","- C40 H56 Br12 Cu4 N16 S4 -","4","1","","Beheshti, Azizolla; Mousavifard, Elham Sadat; Zargar, Behrooz; Mayer, Peter; Rezatofighi, Seyedeh Elham","Synthesis and dye adsorption studies of the {dibromo(1,1′-(1,2-ethanediyl)bis(3-methyl-imidazole-2-thione)dicopper(i)}n polymer and its conversion to CuO nanospheres for photocatalytic and antibacterial applications","New Journal of Chemistry","2020","44","20","8520","8537","10.1039/D0NJ01721C","","","0.71073","MoKα","","0.033","0.0229","","","0.045","0.048","","","","","","1.021","","","","has coordinates","257800","2020-10-21","18:00:00",""
"7059610","9.5738","0.0003","10.568","0.0003","7.7642","0.0003","90","","104.678","0.001","90","","759.91","0.04","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AB124","","","- C10 H14 Br2 Cu2 N4 S2 -","- C10 H14 Br2 Cu2 N4 S2 -","- C20 H28 Br4 Cu4 N8 S4 -","2","0.5","","Beheshti, Azizolla; Mousavifard, Elham Sadat; Zargar, Behrooz; Mayer, Peter; Rezatofighi, Seyedeh Elham","Synthesis and dye adsorption studies of the {dibromo(1,1′-(1,2-ethanediyl)bis(3-methyl-imidazole-2-thione)dicopper(i)}n polymer and its conversion to CuO nanospheres for photocatalytic and antibacterial applications","New Journal of Chemistry","2020","44","20","8520","8537","10.1039/D0NJ01721C","","","0.71073","MoKα","","0.0426","0.0376","","","0.0929","0.0964","","","","","","1.045","","","","has coordinates","257800","2020-10-21","18:00:00",""
"7059611","11.828","0.005","11.828","0.005","10.242","0.009","90","","90","","90","","1432.9","1.5","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Al2 B2 F2 O6 Sn -","- Al2 B2 F2 O6 Sn -","- Al16 B16 F16 O48 Sn8 -","8","0.25","","Wang, Ya; Han, Jian; Huang, Junben; Yang, Zhihua; Huang, Shuzhao; Pan, Shilie","From BaAl2(BO3)2O to SnAl2(BO3)2F2: structure transformation based on ion regulation","New Journal of Chemistry","2020","44","23","9852","9857","10.1039/D0NJ01544J","","","0.71073","MoKα","","0.0219","0.0181","","","0.0421","0.0434","","","","","","1.105","","","","has coordinates","257861","2020-10-21","18:00:00",""
"7059612","14.1261","0.0009","7.7839","0.0004","18.0397","0.0011","90","","108.359","0.003","90","","1882.62","0.19","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 F6 N6 O4 S4 Zn2 -","- C34 H24 F6 N6 O4 S4 Zn2 -","- C68 H48 F12 N12 O8 S8 Zn4 -","2","0.5","","Kaya, Büşra; Yılmaz, Zehra Kübra; Şahin, Onur; Aslim, Belma; Ülküseven, Bahri","Structural characterization of new zinc(ii) complexes with N2O2 chelating thiosemicarbazidato ligands; investigation of the relationship between their DNA interaction and in vitro antiproliferative activity towards human cancer cells","New Journal of Chemistry","2020","44","22","9313","9320","10.1039/D0NJ02149K","","","0.71073","MoKα","","0.0813","0.0667","","","0.1187","0.1241","","","","","","1.1225","","","","has coordinates,has disorder","257667","2020-10-21","18:00:00",""
"7059613","21.042","0.0009","15.9328","0.0007","10.1429","0.0005","90","","90","","90","","3400.5","0.3","128.15","","128.15","","","","","","","","","3","P c c n","-P 2ab 2ac","56","tc-tc","tcaz-tcaz","","- C40 H48 N2 -","- C40 H48 N2 -","- C160 H192 N8 -","4","0.5","","Zhou, Dandan; Zhang, Bingqian; Yu, Zhenyi; Liao, Qing; Fu, Hongbing","tert-Butyl-substituted bicarbazole as a bipolar host material for efficient green and yellow PhOLEDs","New Journal of Chemistry","2020","44","25","10472","10478","10.1039/D0NJ01210F","","x-ray","0.71073","MoKα","","0.0673","0.0516","","","0.1242","0.1343","","","","","","1.038","","","","has coordinates,has disorder","257791","2020-10-21","18:00:00",""
"7059614","15.115","0.005","12.699","0.004","28.477","0.009","90","","102.116","0.008","90","","5344","3","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H87 Gd4 N13 O16 S6 -","- C106 H87 Gd4 N13 O16 S6 -","- C212 H174 Gd8 N26 O32 S12 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.1232","0.0763","","","0.1667","0.1871","","","","","","1.084","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059615","15.189","0.002","12.7422","0.0019","28.246","0.004","90","","102.961","0.002","90","","5327.5","1.3","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H90 Er4 N14 O16 S6 -","- C108 H90 Er4 N14 O16 S6 -","- C216 H180 Er8 N28 O32 S12 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.0463","0.0357","","","0.0813","0.0832","","","","","","1.013","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059616","15.194","0.003","12.779","0.002","28.304","0.005","90","","102.649","0.004","90","","5362.2","1.7","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H87 Dy4 N13 O16 S6 -","- C106 H87 Dy4 N13 O16 S6 -","- C212 H174 Dy8 N26 O32 S12 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.037","0.0302","","","0.0802","0.0835","","","","","","1.073","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059617","15.1763","0.0009","12.7802","0.0007","28.3434","0.0016","90","","102.579","0.001","90","","5365.4","0.5","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H87 N13 O16 S6 Tb4 -","- C106 H87 N13 O16 S6 Tb4 -","- C212 H174 N26 O32 S12 Tb8 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.0385","0.0339","","","0.0982","0.101","","","","","","1.084","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059618","14.923","0.003","15.285","0.002","16.316","0.004","75.94","0.017","85.756","0.019","67.311","0.015","3330","1.2","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C144 H100 N12 O16 S6 Tb4 -","- C144 H100 N12 O16 S6 Tb4 -","- C144 H100 N12 O16 S6 Tb4 -","1","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.1015","0.0732","","","0.2151","0.2309","","","","","","1.036","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059619","10.9192","0.0012","19.809","0.002","11.7104","0.0012","90","","93.931","0.003","90","","2527","0.5","100","2","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl F6 Ir N2 O2 P -","- C23 H25 Cl F6 Ir N2 O2 P -","- C92 H100 Cl4 F24 Ir4 N8 O8 P4 -","4","1","","Oklu, Novisi K.; Makhubela, Banothile C. E.","Chemoselective and efficient catalytic hydrogenation of furfural by iridium and ruthenium half-sandwich complexes","New Journal of Chemistry","2020","44","22","9382","9390","10.1039/D0NJ01811B","","x-ray","0.71073","MoKα","","0.0427","0.0334","","","0.084","0.0984","","","","","","1.202","","","","has coordinates","257659","2020-10-21","18:00:00",""
"7059620","9.7675","0.0001","16.109","0.0002","10.9117","0.0001","90","","101.905","0.0004","90","","1679.97","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Mn2 N4 O10 -","- C36 H40 Mn2 N4 O10 -","- C72 H80 Mn4 N8 O20 -","2","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0291","0.0262","","","0.0645","0.0664","","","","","","1.054","","","","has coordinates","257794","2020-10-21","18:00:00",""
"7059621","9.355","0.0004","9.95","0.0004","10.8783","0.0005","88.0818","0.0007","70.4169","0.0007","72.3874","0.0007","906.68","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Cd2 N4 O12 -","- C36 H44 Cd2 N4 O12 -","- C36 H44 Cd2 N4 O12 -","1","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0189","0.0183","","","0.0445","0.0449","","","","","","1.074","","","","has coordinates,has disorder","257794","2020-10-21","18:00:00",""
"7059622","10.2587","0.0005","16.0646","0.0007","11.2653","0.0005","90","","95.3428","0.001","90","","1848.48","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O12 Zn2 -","- C36 H44 N4 O12 Zn2 -","- C72 H88 N8 O24 Zn4 -","2","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0278","0.0247","","","0.0609","0.0622","","","","","","1.053","","","","has coordinates","257794","2020-10-21","18:00:00",""
"7059623","10.2385","0.0004","16.0725","0.0006","11.3029","0.0004","90","","95.7321","0.0006","90","","1850.69","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co2 N4 O12 -","- C36 H44 Co2 N4 O12 -","- C72 H88 Co4 N8 O24 -","2","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0264","0.0246","","","0.0608","0.0618","","","","","","1.063","","","","has coordinates","257794","2020-10-21","18:00:00",""
"7059624","18.552","0.004","20.072","0.004","6.0258","0.0012","90","","90","","90","","2243.9","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H28 N4 S2 -","- C22 H28 N4 S2 -","- C88 H112 N16 S8 -","4","1","","Moghaddam, Firouz Matloubi; Goudarzi, Mehri; Chamani, Fatemeh; Dezag, Hamid Mohammadzadeh","A new Mumm-type rearrangement with dithiocarbamates via isocyanide-based multicomponent reaction under ultrasound irradiation: synthesis of polysubstituted pyrrolidine compounds","New Journal of Chemistry","2020","44","23","9699","9702","10.1039/D0NJ00691B","","x-ray","0.71073","MoKα","","0.1033","0.0776","","","0.1865","0.1966","","","","","","1.108","","","","has coordinates","257860","2020-10-21","18:00:00",""
"7059626","17.3782","0.0008","17.3782","0.0008","5.8377","0.0003","90","","90","","120","","1526.8","0.13","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- F63 K18 Ta5.18 Zr4.82 -","- F63 K18 Ta5.18 Zr4.82 -","- F63 K18 Ta5.18 Zr4.82 -","1","0.0833333","","Boča, Miroslav; Molokeev, Maxim; Rakhmatullin, Aydar; Kubíková, Blanka; Netriová, Zuzana","The structure of the metastable K18Ta5Zr5F63 phase","New Journal of Chemistry","2020","44","22","9264","9270","10.1039/D0NJ02428G","","","0.71073","MoKα","","0.0873","0.0855","","","0.2241","0.2251","","","","","","1.223","","","","has coordinates","257669","2020-10-21","18:00:00",""
"7059627","10.6126","0.0003","30.5317","0.001","11.0273","0.0003","90","","111.038","0.001","90","","3334.9","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 N5 O2 Zn -","- C43 H31 N5 O2 Zn -","- C172 H124 N20 O8 Zn4 -","4","1","","Prasanth, Panneerselvam Arun; Nantheeswaran, Periyappan; Anbazhagan, Veerappan; Senthilnathan, Rajendran; Jothi, Arunachalam; Bhuvanesh, Nattamai S. P.; Sannegowda, Lokesh Koodlur; Mariappan, Mariappan","The metal centre in salen-acridine dyad N2O2 ligand‒metal complexes modulates DNA binding and photocleavage efficiency","New Journal of Chemistry","2020","44","23","9888","9895","10.1039/D0NJ02035D","","","1.54178","CuKα","","0.0396","0.0324","","","0.0706","0.074","","","","","","1.061","","","","has coordinates","257855","2020-10-21","18:00:00",""
"7059628","14.4303","0.0007","14.3375","0.0007","14.5024","0.0007","98.091","0.004","99.318","0.004","98.508","0.004","2886.3","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 Cl2 Mn2 N10 O31 Y2 -","- C36 H36 Cl2 Mn2 N10 O30 Y2 -","- C72 H72 Cl4 Mn4 N20 O60 Y4 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.16","0.0918","","","0.2373","0.2889","","","","","","1.025","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059629","14.4122","0.0006","14.3812","0.0006","14.5701","0.0007","98.204","0.004","99.148","0.004","98.362","0.003","2906.9","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 Cl2 Gd2 Mn2 N10 O33 -","- C36 H35 Cl2 Gd2 Mn2 N10 O33 -","- C72 H70 Cl4 Gd4 Mn4 N20 O66 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.2086","0.1121","","","0.2685","0.3459","","","","","","1.023","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059630","14.44","","14.334","","14.527","","98.08","","99.39","","98.21","","2894.52","","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl2 Dy2 Mn2 N10 O34 -","- C36 H36 Cl2 Dy2 Mn2 N10 O32 -","- C72 H72 Cl4 Dy4 Mn4 N20 O64 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1348","0.0977","","","0.2498","0.286","","","","","","1.045","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059631","16.9322","0.0005","18.8267","0.0006","19.8169","0.0006","79.398","0.003","69.241","0.002","76.963","0.003","5717.2","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H123 Mn4 N9 O56 Y4 -","- C74 H60 Mn4 N6 O46 Y4 -","- C148 H120 Mn8 N12 O92 Y8 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1722","0.0976","","","0.2582","0.3109","","","","","","1.035","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059632","16.9478","0.0007","18.9017","0.0008","19.83","0.0008","79.081","0.003","69.234","0.003","76.84","0.003","5742.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H123 Dy4 Mn4 N9 O56 -","- C74 H60 Dy4 Mn4 N5 O43 -","- C148 H120 Dy8 Mn8 N10 O86 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1515","0.0932","","","0.2462","0.2903","","","","","","1.026","","","","has coordinates,has disorder","257859","2020-10-21","18:00:00",""
"7059633","16.9426","0.0014","18.9636","0.0017","19.8755","0.0017","78.846","0.007","69.215","0.006","77.089","0.007","5773.5","0.9","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H123 Gd4 Mn4 N9 O56 -","- C74 H60 Gd4 Mn4 N5 O43 -","- C148 H120 Gd8 Mn8 N10 O86 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1555","0.1118","","","0.2924","0.3391","","","","","","1.203","","","","has coordinates,has disorder","257859","2020-10-21","18:00:00",""
"7059634","8.9583","0.0005","18.515","0.0009","9.0555","0.0005","90","","91.47","0.002","90","","1501.48","0.14","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C60 H80 O26 -","2","1","","Dong, Shu-Hui; Bai, Ming; Hou, Zi-Lin; Zhou, Wei-Yu; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Dihydroagarofuran sesquiterpenoid derivatives from the leaves of Tripterygium wilfordii with potential neuroprotective effects against H2O2-induced SH-SY5Y cell injuries","New Journal of Chemistry","2020","44","25","10258","10265","10.1039/D0NJ00703J","","","1.34139","GaKα","","0.0598","0.0471","","","0.1178","0.1293","","","","","","1.026","","","","has coordinates","257787","2020-10-21","18:00:00",""
"7059635","19.4926","0.0007","9.8565","0.0004","25.4939","0.0011","90","","102.68","0.004","90","","4778.7","0.3","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H34 I N3 Si -","- C23 H34 I N3 Si -","- C184 H272 I8 N24 Si8 -","8","1","","Dimitrijevs, Pavels; Domracheva, Ilona; Arsenyan, Pavel","Improved method for the preparation of nonyl acridine orange analogues and utilization in detection of cardiolipin","New Journal of Chemistry","2020","44","23","9626","9633","10.1039/D0NJ02116D","","x-ray","0.71073","MoKα","","0.0563","0.0345","","","0.0886","0.105","","","","","","1.116","","","","has coordinates","257856","2020-10-21","18:00:00",""
"7059636","10.0025","0.0006","18.7416","0.0011","17.4507","0.001","90","","96.041","0.002","90","","3253.2","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 N2 O P S -","- C12 H25 N2 O P S -","- C96 H200 N16 O8 P8 S8 -","8","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0559","0.0467","","","0.1273","0.1345","","","","","","1.056","","","","has coordinates","257795","2020-10-21","18:00:00",""
"7059637","9.972","0.0002","13.3201","0.0002","13.5216","0.0002","86.057","0.001","68.82","","82.722","0.001","1660.72","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Cd N4 P2 S4 -","- C24 H48 Cd N4 P2 S4 -","- C48 H96 Cd2 N8 P4 S8 -","2","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0352","0.0288","","","0.0757","0.08","","","","","","1.052","","","","has coordinates,has disorder","257795","2020-10-21","18:00:00",""
"7059638","11.9623","0.0002","11.1902","0.0002","23.594","0.0003","90","","91.54","0.001","90","","3157.16","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 N4 O2 P2 S2 Zn -","- C24 H48 N4 O2 P2 S2 Zn -","- C96 H192 N16 O8 P8 S8 Zn4 -","4","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0389","0.0296","","","0.0751","0.0786","","","","","","1.037","","","","has coordinates","257795","2020-10-21","18:00:00",""
"7059639","11.9249","0.0002","11.0983","0.0002","24.26","0.0005","90","","90.396","0.001","90","","3210.64","0.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Cd N4 O2 P2 S2 -","- C24 H48 Cd N4 O2 P2 S2 -","- C96 H192 Cd4 N16 O8 P8 S8 -","4","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0482","0.0299","","","0.0597","0.067","","","","","","0.949","","","","has coordinates","257795","2020-10-21","18:00:00",""
"7059640","20.5473","0.0009","7.4108","0.0003","16.1324","0.0008","90","","117.615","0.002","90","","2176.67","0.17","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H15 Br5 Cu2 N3 P -","- C15 H15 Br5 Cu2 N3 P -","- C60 H60 Br20 Cu8 N12 P4 -","4","1","","Berezin, Alexey S.; Artem'ev, Alexander V.; Komarov, Vladislav Y.; Baranov, Andrey Y.","A copper(i) bromide organic‒inorganic zwitterionic coordination compound with a new type of core: structure, luminescence properties, and DFT calculations","New Journal of Chemistry","2020","44","23","9858","9862","10.1039/D0NJ01835J","","","0.71073","MoKα","","0.046","0.0356","","","0.0665","0.0698","","","","","","1.025","","","","has coordinates,has disorder","257858","2020-10-21","18:00:00",""
"7059641","5.3317","0.0001","10.0576","0.0003","30.0104","0.0008","90","","90","","90","","1609.28","0.07","100","","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 F N2 O4 -","- C14 H23 F N2 O4 -","- C56 H92 F4 N8 O16 -","4","1","","Liu, Song; Wu, Renbo; Sun, Yuli; Ploessl, Karl; Zhang, Yan; Liu, Yajing; Wu, Zehui; Zhu, Lin; Kung, Hank F.","Design, synthesis and evaluation of a novel glutamine derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluorobutanoic acid","New Journal of Chemistry","2020","44","21","9109","9117","10.1039/D0NJ00410C","","","0.71073","MoKα","","0.028","0.0252","","","0.0595","0.0607","","","","","","1.093","","","","has coordinates","257863","2020-10-21","18:00:00",""
"7059642","5.9695","0.0002","10.9627","0.0003","36.0572","0.0011","90","","90","","90","","2359.65","0.12","100","","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 S -","- C21 H30 N2 O7 S -","- C84 H120 N8 O28 S4 -","4","1","","Liu, Song; Wu, Renbo; Sun, Yuli; Ploessl, Karl; Zhang, Yan; Liu, Yajing; Wu, Zehui; Zhu, Lin; Kung, Hank F.","Design, synthesis and evaluation of a novel glutamine derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluorobutanoic acid","New Journal of Chemistry","2020","44","21","9109","9117","10.1039/D0NJ00410C","","","0.71073","MoKα","","0.0445","0.0391","","","0.0868","0.089","","","","","","1.185","","","","has coordinates","257863","2020-10-21","18:00:00",""
"7059643","9.895","0.007","10.696","0.008","26.93","0.02","88.13","0.06","85.08","0.06","76.48","0.05","2761","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H156 N2 O28 Pd Si16 -","- C78 H156 N2 O28 Pd Si16 -","- C78 H156 N2 O28 Pd Si16 -","1","0.5","","Piec, Kamila; Kostera, Sylwia; Jędrzkiewicz, Dawid; Ejfler, Jolanta; John, Łukasz","Mono-substituted amine-oligosilsesquioxanes as functional tools in Pd(ii) coordination chemistry: synthesis and properties","New Journal of Chemistry","2020","44","26","10786","10795","10.1039/D0NJ01568G","","","0.71073","MoKα","","0.1599","0.0854","","","0.2103","0.2419","","","","","","0.948","","","","has coordinates,has disorder","257724","2020-10-21","18:00:00",""
"7059644","9.91","0.003","10.779","0.004","26.361","0.009","89.83","0.04","81.99","0.03","88.94","0.04","2787.9","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H156 N2 O32 Pd Si16 -","- C80 H156 N2 O32 Pd Si16 -","- C80 H156 N2 O32 Pd Si16 -","1","0.5","","Piec, Kamila; Kostera, Sylwia; Jędrzkiewicz, Dawid; Ejfler, Jolanta; John, Łukasz","Mono-substituted amine-oligosilsesquioxanes as functional tools in Pd(ii) coordination chemistry: synthesis and properties","New Journal of Chemistry","2020","44","26","10786","10795","10.1039/D0NJ01568G","","","0.71073","MoKα","","0.1026","0.0585","","","0.1313","0.1517","","","","","","1.018","","","","has coordinates,has disorder","257724","2020-10-21","18:00:00",""
"7059645","25.014","0.003","7.9647","0.0008","25.811","0.003","90","","97.742","0.005","90","","5095.4","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","porphycene","","","- C32 H38 N4 -","- C32 H38 N4 -","- C256 H304 N32 -","8","1","","Pati, Narendra N.; Sahoo, Sameeta; Sahoo, Sipra S.; Banerjee, Dipanjan; Rao, S. Venugopal; Panda, Pradeepta K.","Chromatographically separable ruffled non-planar isomeric octaalkylporphycenes: consequences of unsymmetrical substitution upon structure and photophysical properties","New Journal of Chemistry","2020","44","23","9616","9620","10.1039/D0NJ01744B","","","0.71073","MoKα","","0.0725","0.0502","","","0.1479","0.1633","","","","","","1.093","","","","has coordinates","257857","2020-10-21","18:00:00",""
"7059646","10.7208","0.0005","11.176","0.0005","11.7946","0.0006","109.612","0.002","98.619","0.002","98.654","0.002","1285.22","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","porphycene","","","- C32 H38 N4 -","- C32 H38 N4 -","- C64 H76 N8 -","2","1","","Pati, Narendra N.; Sahoo, Sameeta; Sahoo, Sipra S.; Banerjee, Dipanjan; Rao, S. Venugopal; Panda, Pradeepta K.","Chromatographically separable ruffled non-planar isomeric octaalkylporphycenes: consequences of unsymmetrical substitution upon structure and photophysical properties","New Journal of Chemistry","2020","44","23","9616","9620","10.1039/D0NJ01744B","","","0.71073","MoKα","","0.1126","0.061","","","0.1593","0.1867","","","","","","1.004","","","","has coordinates","257857","2020-10-21","18:00:00",""
"7059647","20.5448","0.0002","20.51697","0.00019","23.3482","0.0002","90","","90","","90","","9841.66","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H56 Dy F3 N6 O31 -","- C33 H56 Dy F3 N6 O31 -","- C264 H448 Dy8 F24 N48 O248 -","8","1","","Shi, Zhi-Qiang; Ji, Ning-Ning; Chen, Wan-Yao; Li, Gang","Proton conduction in two hydrogen-bonded supramolecular lanthanide complexes","New Journal of Chemistry","2020","44","25","10562","10568","10.1039/D0NJ02085K","","x-ray","1.54184","CuKα","","0.0539","0.0443","","","0.1174","0.1253","","","","","","1.056","","","","has coordinates,has disorder","257797","2020-10-21","18:00:00",""
"7059648","11.4389","0.0005","12.4406","0.0004","16.1101","0.0007","96.834","0.003","108.861","0.004","96.387","0.003","2126.54","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 Eu F3 N6 O24 -","- C33 H42 Eu F3 N6 O24 -","- C66 H84 Eu2 F6 N12 O48 -","2","1","","Shi, Zhi-Qiang; Ji, Ning-Ning; Chen, Wan-Yao; Li, Gang","Proton conduction in two hydrogen-bonded supramolecular lanthanide complexes","New Journal of Chemistry","2020","44","25","10562","10568","10.1039/D0NJ02085K","","x-ray","1.54184","CuKα","","0.056","0.0483","","","0.1218","0.1287","","","","","","1.024","","","","has coordinates,has disorder","257797","2020-10-21","18:00:00",""
"7059649","9.187","0.003","34.222","0.01","4.7335","0.0014","90","","107.932","0.008","90","","1415.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O2 S -","- C14 H12 N4 O2 S -","- C56 H48 N16 O8 S4 -","4","1","","Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.","New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity","New Journal of Chemistry","2020","44","26","10924","10932","10.1039/D0NJ02013C","","","0.71069","MoKα","","0.133","0.0572","","","0.1255","0.1592","","","","","","1.012","","","","has coordinates,has disorder","257717","2020-10-21","18:00:00",""
"7059650","8.968","0.003","9.327","0.004","11.613","0.004","95.389","0.016","95.673","0.016","104.311","0.016","929.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ag N5 O7 -","- C14 H14 Ag N5 O7 -","- C28 H28 Ag2 N10 O14 -","2","1","","Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.","New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity","New Journal of Chemistry","2020","44","26","10924","10932","10.1039/D0NJ02013C","","","0.71069","MoKα","","0.0461","0.0397","","","0.1012","0.1058","","","","","","1.059","","","","has coordinates","257717","2020-10-21","18:00:00",""
"7059651","15.574","0.0015","10.7264","0.0011","8.1105","0.0008","90","","96.563","0.005","90","","1346","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C56 H48 N16 O12 -","4","1","","Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.","New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity","New Journal of Chemistry","2020","44","26","10924","10932","10.1039/D0NJ02013C","","","0.71069","MoKα","","0.0624","0.0406","","","0.1006","0.1133","","","","","","1.038","","","","has coordinates","257717","2020-10-21","18:00:00",""
"7059652","12.0157","0.0013","18.1093","0.0019","18.99","0.002","90","","90","","90","","4132.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H31 N11 O10 Zn2 -","- C42 H31 N11 O10 Zn2 -","- C168 H124 N44 O40 Zn8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Pan, Chen-Dong; Zhang, Chen; Fan, Liming","Selective fluorescence sensing properties of a novel two-fold interpenetrating coordination polymer","New Journal of Chemistry","2020","44","22","9411","9418","10.1039/D0NJ01750G","","","0.71073","MoKα","","0.0718","0.047","","","0.1281","0.1394","","","","","","0.996","","","","has coordinates","257668","2020-10-21","18:00:00",""
"7059653","7.7339","0.0012","12.2579","0.0019","12.2548","0.0019","90","","94.074","0.004","90","","1158.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Bhattacharyya, Arghyadeep; Guchhait, Nikhil","Exciplex formation between a pair of synthesized AIEgens leads to white light generation: a spectroscopic exploration","New Journal of Chemistry","2020","44","25","10671","10680","10.1039/D0NJ02489A","","","0.71073","MoKα","","0.0727","0.0656","","","0.1526","0.1545","","","","","","2.946","","","","has coordinates","257788","2020-10-21","18:00:00",""
"7059654","33.6385","0.0006","20.9981","0.0003","23.2161","0.0005","90","","106.835","0.002","90","","15695.8","0.5","118","2","118","2","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","radical anion salt of flavanthrone with cryptand sodium cation, o-dichlorobenzene solvate","","- C58 H56 Cl4 N4 Na O8 -","- C58 H56 Cl4 N4 Na O8 -","- C696 H672 Cl48 N48 Na12 O96 -","12","3","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.1567","0.0885","","","0.1982","0.2372","","","","","","1.025","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059655","10.4142","0.0006","15.4474","0.0015","18.1276","0.0016","89.892","0.007","84.445","0.006","72.298","0.007","2763.9","0.4","109","2","109","2","","","","","","","","6","P -1","-P 1","2","no","dianion salt of flavanthrone with tetrabutylphosphonium cations, o-dichlobenzene solvate","","- C63 H86 Cl N2 O2 P2 -","- C63 H86 Cl N2 O2 P2 -","- C126 H172 Cl2 N4 O4 P4 -","2","1","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.139","0.0738","","","0.1621","0.2036","","","","","","1.033","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059656","15.7671","0.0004","17.4553","0.0003","8.4909","0.0002","90","","93.019","0.002","90","","2333.62","0.09","110","1","110","1","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","ccordination compound of flavanthrone with two vanadocene, o-dichlobenzene solvate","","- C60 H40 Cl4 N2 O2 V2 -","- C60 H40 Cl4 N2 O2 V2 -","- C120 H80 Cl8 N4 O4 V4 -","2","0.5","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.0552","0.0398","","","0.0915","0.0989","","","","","","1.03","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059657","9.1827","0.0004","7.7844","0.0003","18.3826","0.0008","90","","90.001","0.004","90","","1314.02","0.1","90","1","90","1","","","","","","","no","5","P 1 21/c 1","-P 2ybc","14","no","coordination compound of chloranyl with two vanadocene","","- C26 H20 Cl4 O2 V2 -","- C26 H20 Cl4 O2 V2 -","- C52 H40 Cl8 O4 V4 -","2","0.5","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.0322","0.0287","","","0.0685","0.0705","","","","","","1.089","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059658","10.0315","0.0005","11.165","0.0005","12.4225","0.0006","80.1","0.004","73.741","0.005","87.212","0.004","1315.81","0.11","113","2","113","8","","","","","","","no","5","P -1","-P 1","2","no","dianion salt of flavanthrone with tetrabutylphosphonium cations","","- C60 H84 N2 O2 P2 -","- C60 H84 N2 O2 P2 -","- C60 H84 N2 O2 P2 -","1","0.5","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.1089","0.0705","","","0.155","0.1795","","","","","","1.036","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059659","21.6165","0.0007","11.825","0.0003","14.9206","0.0005","90","","117.864","0.001","90","","3371.74","0.18","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Br Mn N3 O3.5 -","- C15 H14 Br Mn N3 O3.5 -","- C120 H112 Br8 Mn8 N24 O28 -","8","1","","Amorim, André L.; Guerreiro, Ana; Glitz, Vinícius A.; Coimbra, Daniel F.; Bortoluzzi, Adailton J.; Caramori, Giovanni F.; Braga, Antonio L.; Neves, Ademir; Bernardes, Gonçalo J. L.; Peralta, Rosely A.","Synthesis, characterization and photoinduced CO-release by manganese(i) complexes","New Journal of Chemistry","2020","44","26","10892","10901","10.1039/D0NJ02260H","","","0.71073","MoKα","","0.051","0.0299","","","0.061","0.069","","","","","","1.021","","","","has coordinates","257715","2020-10-21","18:00:00",""
"7059660","26.1164","0.0008","7.3867","0.0002","18.301","0.0006","90","","102.927","0.001","90","","3441.04","0.18","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Br Mn N3 O3 -","- C16 H15 Br Mn N3 O3 -","- C128 H120 Br8 Mn8 N24 O24 -","8","1","","Amorim, André L.; Guerreiro, Ana; Glitz, Vinícius A.; Coimbra, Daniel F.; Bortoluzzi, Adailton J.; Caramori, Giovanni F.; Braga, Antonio L.; Neves, Ademir; Bernardes, Gonçalo J. L.; Peralta, Rosely A.","Synthesis, characterization and photoinduced CO-release by manganese(i) complexes","New Journal of Chemistry","2020","44","26","10892","10901","10.1039/D0NJ02260H","","","0.71073","MoKα","","0.06","0.0387","","","0.088","0.0961","","","","","","1.06","","","","has coordinates","257715","2020-10-21","18:00:00",""
"7059661","8.0271","0.0004","9.3057","0.0005","12.9921","0.0007","87.029","0.002","89.037","0.002","67.346","0.002","894.4","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br Mn N3 O3 -","- C17 H17 Br Mn N3 O3 -","- C34 H34 Br2 Mn2 N6 O6 -","2","1","","Amorim, André L.; Guerreiro, Ana; Glitz, Vinícius A.; Coimbra, Daniel F.; Bortoluzzi, Adailton J.; Caramori, Giovanni F.; Braga, Antonio L.; Neves, Ademir; Bernardes, Gonçalo J. L.; Peralta, Rosely A.","Synthesis, characterization and photoinduced CO-release by manganese(i) complexes","New Journal of Chemistry","2020","44","26","10892","10901","10.1039/D0NJ02260H","","","0.71073","MoKα","","0.0335","0.0235","","","0.053","0.0564","","","","","","1.042","","","","has coordinates","257715","2020-10-21","18:00:00",""
"7059662","19.9421","0.0006","23.2514","0.0008","24.8961","0.0008","98.678","0.003","110.845","0.003","111.285","0.003","9518.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Co25 H128 Na4 O292 Si6 W60 -","- Co25 Na4 O292 Si6 W60 -","- Co25 Na4 O292 Si6 W60 -","1","0.5","","Shi, Dongying; Cui, Chao-Jie; Sun, Chun-Xiao; Du, Jun-Ping; Liu, Chun-Sen","A new [Co21(H2O)4(OH)12]30+ unit-incorporating polyoxotungstate for sensitive detection of dichlorvos","New Journal of Chemistry","2020","44","26","11336","11341","10.1039/D0NJ01539C","","","1.54178","CuKα","","0.1491","0.091","","","0.2525","0.3022","","","","","","1.019","","","","has coordinates","257721","2020-10-21","18:00:00",""
"7059663","9.1494","0.0003","14.5713","0.0005","16.5995","0.0006","90","","98.7354","0.0015","90","","2187.35","0.13","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N4 O2 S2 V -","- C25 H18 N4 O2 S2 V -","- C100 H72 N16 O8 S8 V4 -","4","1","","Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam","Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies","New Journal of Chemistry","2020","44","26","10946","10963","10.1039/D0NJ01246G","","","0.71075","MoKα","","0.1381","0.1104","","","0.1974","0.2096","","","","","","1.372","","","","has coordinates","257722","2020-10-21","18:00:00",""
"7059664","12.079","0.0002","9.1906","0.0001","20.2738","0.0003","90","","104.359","0.001","90","","2180.35","0.05","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N4 O2 S2 V -","- C23 H18 N4 O2 S2 V -","- C92 H72 N16 O8 S8 V4 -","4","1","","Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam","Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies","New Journal of Chemistry","2020","44","26","10946","10963","10.1039/D0NJ01246G","","","0.71075","MoKα","","0.0946","0.0856","","","0.1997","0.2076","","","","","","1.085","","","","has coordinates","257722","2020-10-21","18:00:00",""
"7059665","9.2915","0.0002","12.472","0.0002","14.3887","0.0003","66.4449","0.0008","80.6708","0.0012","71.292","0.0011","1446.62","0.05","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 Cl N5 O2 S2 V -","- C31 H28 Cl N5 O2 S2 V -","- C62 H56 Cl2 N10 O4 S4 V2 -","2","1","","Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam","Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies","New Journal of Chemistry","2020","44","26","10946","10963","10.1039/D0NJ01246G","","","0.71075","MoKα","","0.0622","0.0502","","","0.1038","0.1129","","","","","","1.197","","","","has coordinates","257722","2020-10-21","18:00:00",""
"7059666","17.6881","0.0006","7.5408","0.0002","17.2621","0.0006","90","","106.021","0.004","90","","2213.03","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N2 O6 P -","- C24 H21 N2 O6 P -","- C96 H84 N8 O24 P4 -","4","0.5","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.0744","0.0429","","","0.0872","0.0946","","","","","","1.002","","","","has coordinates,has disorder","257792","2020-10-21","18:00:00",""
"7059667","22.2823","0.0003","7.3469","0.0001","16.0521","0.0002","90","","97.053","0.001","90","","2607.94","0.06","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F6 N O4 P S2 -","- C26 H20 F6 N O4 P S2 -","- C104 H80 F24 N4 O16 P4 S8 -","4","0.5","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","1.54178","CuKα","","0.0321","0.0297","","","0.0722","0.0746","","","","","","1.002","","","","has coordinates,has disorder","257792","2020-10-21","18:00:00",""
"7059668","17.4408","0.0002","6.7914","0.0001","18.9369","0.0002","90","","90","","90","","2243.03","0.05","150","2","150","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C28 H20 N3 P -","- C28 H20 N3 P -","- C112 H80 N12 P4 -","4","0.5","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","1.54178","CuKα","","0.04","0.0373","","","0.1011","0.1046","","","","","","1.001","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059669","11.2149","0.0004","16.9072","0.0005","11.7093","0.0005","90","","96.094","0.003","90","","2207.68","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N3 P -","- C27 H22 N3 P -","- C108 H88 N12 P4 -","4","1","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","1.54178","CuKα","","0.0538","0.0421","","","0.0987","0.1091","","","","","","1.001","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059670","19.7732","0.0006","8.4372","0.0002","16.5014","0.0014","90","","90","","90","","2752.9","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H22 F6 N O4 P S2 -","- C27 H22 F6 N O4 P S2 -","- C108 H88 F24 N4 O16 P4 S8 -","4","1","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.0466","0.0328","","","0.0593","0.0612","","","","","","0.92","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059671","9.895","0.0004","12.8564","0.0005","18.7165","0.0009","70.204","0.004","84.593","0.004","76.784","0.004","2180.59","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N P S -","- C26 H22 N P S -","- C104 H88 N4 P4 S4 -","4","2","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.1054","0.0625","","","0.1234","0.1434","","","","","","1.002","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059672","9.5047","0.0002","21.5886","0.0005","11.1289","0.0003","90","","107.748","0.003","90","","2174.89","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F4 P -","- C25 H22 B F4 P -","- C100 H88 B4 F16 P4 -","4","1","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.0856","0.0786","","","0.166","0.1698","","","","","","1.003","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059673","10.4963","0.0008","13.4855","0.0011","18.0538","0.0014","107.3","0.002","93.585","0.002","103.021","0.002","2354","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H44 Cl N3 O P2 Ru -","- C59 H44 Cl N3 O P2 Ru -","- C118 H88 Cl2 N6 O2 P4 Ru2 -","2","1","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.0374","0.0298","","","0.0735","0.0829","","","","","","1.1048","","","","has coordinates,has disorder","257720","2020-10-21","18:00:00",""
"7059674","12.7697","0.0015","14.3912","0.0017","14.5106","0.0018","103.662","0.005","113.28","0.004","103.41","0.005","2216.6","0.5","300","2","300","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 Cl N3 O P2 Ru -","- C53 H42 Cl N3 O P2 Ru -","- C106 H84 Cl2 N6 O2 P4 Ru2 -","2","1","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.0702","0.0472","","","0.1373","0.1688","","","","","","1.0371","","","","has coordinates","257720","2020-10-21","18:00:00",""
"7059675","20.496","0.001","10.4384","0.0005","22.9609","0.0011","90","","114.403","0.002","90","","4473.5","0.4","298","2","298.43","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 Cl N3 O P2 Ru -","- C53 H42 Cl N3 O P2 Ru -","- C212 H168 Cl4 N12 O4 P8 Ru4 -","4","1","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.1175","0.0661","","","0.1504","0.1838","","","","","","1.0905","","","","has coordinates","257720","2020-10-21","18:00:00",""
"7059676","12.5638","0.0007","14.5528","0.0008","30.3087","0.0016","78.061","0.002","78.123","0.002","67.43","0.002","4957.2","0.5","298","2","298.14","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cl3 N3 O P2 Ru S -","- C55 H42 Cl N3 O P2 Ru S -","- C220 H168 Cl4 N12 O4 P8 Ru4 S4 -","4","2","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.0756","0.0461","","","0.0963","0.1098","","","","","","1.0477","","","","has coordinates,has disorder","257720","2020-10-21","18:00:00",""
"7059677","13.793","0.005","8.597","0.003","16.14","0.005","90","","104.275","0.005","90","","1854.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl N4 S -","- C20 H19 Cl N4 S -","- C80 H76 Cl4 N16 S4 -","4","1","","Yuan, Jing-Mei; Chen, Nan-Ying; Liao, Hao-Ran; Zhang, Guo-Hai; Li, Xiao-Juan; Gu, Zi-Yu; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","3-(Benzo[d]thiazol-2-yl)-4-aminoquinoline derivatives as novel scaffold topoisomerase I inhibitor via DNA intercalation: design, synthesis, and antitumor activities","New Journal of Chemistry","2020","44","26","11203","11214","10.1039/C9NJ05846J","","","0.71073","MoKα","","0.1253","0.0909","","","0.2577","0.2914","","","","","","1.043","","","","has coordinates","257723","2020-10-21","18:00:00",""
"7059678","13.6402","0.001","31.703","0.002","12.2361","0.0009","90","","114.901","0.002","90","","4799.4","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H88 Cu10 N16 O71 Si2 W18 -","- C24 H80 Cu10 N16 O71 Si2 W18 -","- C48 H160 Cu20 N32 O142 Si4 W36 -","2","0.5","","Su, Zhao-Min; Zhang, Mo; An, Qingqing; Qin, Dan; Li, Hai-Lou; Lv, Hongjin; Jia, Zhiyu; Zhang, Qiang; Yang, Guo-Yu","Synthesis of two new copper-sandwiched polyoxotungstates and the influence of nuclear number on catalytic hydrogen evolution activity","New Journal of Chemistry","2020","44","26","11035","11041","10.1039/D0NJ02065F","","","0.71073","MoKα","","0.0583","0.0465","","","0.0944","0.0989","","","","","","1.081","","","","has coordinates","257719","2020-10-21","18:00:00",""
"7059679","12.448","0.0005","14.3192","0.0005","17.1822","0.0007","98.959","0.003","110.639","0.004","104.727","0.003","2668.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H112 Cu10 N20 O74 Si2 W18 -","- C30 H100 Cu10 N20 O74 Si2 W18 -","- C30 H100 Cu10 N20 O74 Si2 W18 -","1","0.5","","Su, Zhao-Min; Zhang, Mo; An, Qingqing; Qin, Dan; Li, Hai-Lou; Lv, Hongjin; Jia, Zhiyu; Zhang, Qiang; Yang, Guo-Yu","Synthesis of two new copper-sandwiched polyoxotungstates and the influence of nuclear number on catalytic hydrogen evolution activity","New Journal of Chemistry","2020","44","26","11035","11041","10.1039/D0NJ02065F","","","0.71073","MoKα","","0.0594","0.0425","","","0.0942","0.1052","","","","","","1.067","","","","has coordinates","257719","2020-10-21","18:00:00",""
"7059680","5.1389","0.0017","7.65","0.002","8.618","0.003","90","","105.413","0.005","90","","326.61","0.18","299","1","299","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Ni O6 -","- C4 H6 Ni O6 -","- C8 H12 Ni2 O12 -","2","0.5","","Nakane, Tomohiro; Aoyagi, Shinobu; Fujita, Wataru","Magnetic and thermal studies of a coordination polymer: bis(glycolato)nickel(ii)","New Journal of Chemistry","2020","44","25","10519","10524","10.1039/D0NJ01450H","","","0.71075","MoKα","","0.0229","0.0209","","","0.0586","0.0594","","","","","","1.148","","","","has coordinates","257796","2020-10-21","18:00:00",""
"7059681","5.1225","0.001","7.518","0.0013","8.6621","0.0014","90","","105.242","0.007","90","","321.85","0.1","92","","92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Ni O6 -","- C4 H6 Ni O6 -","- C8 H12 Ni2 O12 -","2","0.5","","Nakane, Tomohiro; Aoyagi, Shinobu; Fujita, Wataru","Magnetic and thermal studies of a coordination polymer: bis(glycolato)nickel(ii)","New Journal of Chemistry","2020","44","25","10519","10524","10.1039/D0NJ01450H","","","0.71075","MoKα","","0.0233","0.0205","","","0.0506","0.0514","","","","","","1.134","","","","has coordinates","257796","2020-10-21","18:00:00",""
"7059682","13.4382","0.0013","14.3212","0.0013","19.229","0.0018","71.551","0.002","89.699","0.002","75.284","0.002","3383.9","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H21 B10 N3 -","- C10 H21 B10 N3 -","- C80 H168 B80 N24 -","8","4","","Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.","Synthesis and structure of 3-arylazo derivatives of ortho-carborane","New Journal of Chemistry","2020","44","25","10199","10202","10.1039/D0NJ02052D","","","0.71073","MoKα","","0.1224","0.0627","","","0.1422","0.1721","","","","","","1.008","","","","has coordinates","257789","2020-10-21","18:00:00",""
"7059683","12.3986","0.0017","19.258","0.003","6.6169","0.0009","90","","99.327","0.003","90","","1559","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 B10 N2 O -","- C9 H18 B10 N2 O -","- C36 H72 B40 N8 O4 -","4","1","","Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.","Synthesis and structure of 3-arylazo derivatives of ortho-carborane","New Journal of Chemistry","2020","44","25","10199","10202","10.1039/D0NJ02052D","","","0.71073","MoKα","","0.0968","0.0522","","","0.119","0.1373","","","","","","0.989","","","","has coordinates","257789","2020-10-21","18:00:00",""
"7059684","19.235","0.003","7.0992","0.0011","21.796","0.003","90","","90","","90","","2976.3","0.8","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H18 B10 N2 -","- C9 H18 B10 N2 -","- C72 H144 B80 N16 -","8","1","","Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.","Synthesis and structure of 3-arylazo derivatives of ortho-carborane","New Journal of Chemistry","2020","44","25","10199","10202","10.1039/D0NJ02052D","","","0.71073","MoKα","","0.1359","0.058","","","0.1202","0.1561","","","","","","1.003","","","","has coordinates","257789","2020-10-21","18:00:00",""
"7059685","8.633","0.004","12.422","0.006","13.653","0.006","87.328","0.008","89.11","0.007","79.874","0.008","1439.7","1.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 F12 N7 O3 P2 -","- C23 H16 F12 N7 O3 P2 -","- C46 H32 F24 N14 O6 P4 -","2","1","","Madhu, Vedichi; Kanakati, Arun Kumar; Das, Samar K.","Serendipitous isolation of a triazinone-based air stable organic radical: synthesis, crystal structure, and computation","New Journal of Chemistry","2020","44","26","10781","10785","10.1039/D0NJ02028A","","","0.71073","MoKα","","0.1513","0.0809","","","0.1874","0.2247","","","","","","0.989","","","","has coordinates","257713","2020-10-21","18:00:00",""
"7059686","5.036","0.002","19.412","0.009","23.741","0.01","90","","87.874","0.01","90","","2319.3","1.7","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F6 N7 O P -","- C23 H16 F6 N7 O P -","- C92 H64 F24 N28 O4 P4 -","4","1","","Madhu, Vedichi; Kanakati, Arun Kumar; Das, Samar K.","Serendipitous isolation of a triazinone-based air stable organic radical: synthesis, crystal structure, and computation","New Journal of Chemistry","2020","44","26","10781","10785","10.1039/D0NJ02028A","","","0.71073","MoKα","","0.162","0.0683","","","0.1395","0.1747","","","","","","0.972","","","","has coordinates","257713","2020-10-21","18:00:00",""
"7059687","9.2096","0.0008","14.5251","0.0012","10.446","0.0009","90","","91.739","0.007","90","","1396.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","salt 1","","- C5 H8 Fe I3 N O3 -","- C5 H8 Fe I3 N O3 -","- C20 H32 Fe4 I12 N4 O12 -","4","1","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.1131","0.0631","","","0.1412","0.1687","","","","","","1.03","","","","has coordinates","257793","2020-10-21","18:00:00",""
"7059688","8.2405","0.0009","8.0958","0.0009","12.6129","0.0012","90","","106.571","0.001","90","","806.5","0.15","293","2","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","salt 3","","- C7 H12 Fe I3 N O3 -","- C7 H12 Fe I3 N O3 -","- C14 H24 Fe2 I6 N2 O6 -","2","0.5","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.089","0.0572","","","0.1447","0.1711","","","","","","1.04","","","","has coordinates,has disorder","257793","2020-10-21","18:00:00",""
"7059689","8.092","0.002","8.2197","0.0008","13.3496","0.0016","100.214","0.009","94.639","0.016","92.457","0.016","869.5","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","salt 4","","- C8 H14 Fe I3 N O3 -","- C8 H14 Fe I3 N O3 -","- C16 H28 Fe2 I6 N2 O6 -","2","1","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.1625","0.117","","","0.292","0.3462","","","","","","1.046","","","","has coordinates","257793","2020-10-21","18:00:00",""
"7059690","12.0358","0.001","7.9704","0.0003","16.4638","0.001","90","","108.505","0.008","90","","1497.71","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","salt 2","","- C6 H10 Fe I3 N O3 -","- C6 H10 Fe I3 N O3 -","- C24 H40 Fe4 I12 N4 O12 -","4","1","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.1065","0.0596","","","0.0984","0.1177","","","","","","1.032","","","","has coordinates","257793","2020-10-21","18:00:00",""
"7059691","14.3147","0.0012","13.7035","0.0011","12.3387","0.0011","90","","110.169","0.003","90","","2272","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br Cl N2 O4 -","- C22 H22 Br Cl N2 O4 -","- C88 H88 Br4 Cl4 N8 O16 -","4","1","","Wu, Hai-tao; Wang, Lan-zhi","Expedient green-chemistry approaches for a one-pot synthesis of two series of novel 1,5-benzodiazepines via domino reactions","New Journal of Chemistry","2020","44","25","10428","10440","10.1039/C9NJ06332C","","","0.71073","MoKα","","0.1016","0.0465","","","0.0995","0.1187","","","","","","1.003","","","","has coordinates,has disorder","257790","2020-10-21","18:00:00",""
"7059692","9.0275","0.0014","26.058","0.002","9.7852","0.0009","90","","102.119","0.011","90","","2250.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O4 -","- C28 H23 N O4 -","- C112 H92 N4 O16 -","4","1","","Karaman, Merve; Demir, Nuriye; Bilgili, Hakan; Yakali, Gul; Gokpek, Yenal; Demic, Serafettin; Kaya, Nusret; Can, Mustafa","Synthesis, characterization, aggregation-induced enhanced emission and solvatochromic behavior of dimethyl 4′-(diphenylamino)biphenyl-3,5-dicarboxylate: experimental and theoretical studies","New Journal of Chemistry","2020","44","27","11498","11506","10.1039/D0NJ01720E","","x-ray","0.71073","MoKα","","0.1286","0.0581","","","0.1036","0.136","","","","","","1.0124","","","","has coordinates","257672","2020-10-21","18:00:00",""
"7059693","14.659","0.004","7.247","0.002","18.776","0.006","90","","106.108","0.005","90","","1916.3","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H23 Cu N3 O S -","- C19 H23 Cu N3 O S -","- C76 H92 Cu4 N12 O4 S4 -","4","1","","Khan, Samim; Halder, Soumi; Dey, Arka; Dutta, Basudeb; Pratim Ray, Partha; Chattopadhyay, Shouvik","Synthesis of an electrically conductive square planar copper(ii) complex and its utilization in the fabrication of a photosensitive Schottky diode device and DFT study","New Journal of Chemistry","2020","44","27","11622","11630","10.1039/D0NJ02162H","","","0.71073","MoKα","","0.0547","0.0407","","","0.1045","0.1119","","","","","","1.079","","","","has coordinates,has disorder","257677","2020-10-21","18:00:00",""
"7059694","12.1075","0.0009","15.3568","0.0012","10.8188","0.0007","90","","104.326","0.003","90","","1949","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","MKII-249 F3","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Meerakrishna, Ramakrishnan Suseela; Smile, Suresh Snoxma; Athira, Mohanakumaran; Choutipalli, Venkata Surya Kumar; Shanmugam, Ponnusamy","Diverse reactivity of isatin-based N,N′-cyclic azomethine imine dipoles with arynes: synthesis of 1′-methyl-2′-oxospiro [indene-1,3′-indolines] and 3-aryl-3-pyrazol-2-oxindoles","New Journal of Chemistry","2020","44","27","11593","11601","10.1039/D0NJ01684E","","","0.71073","MoKα","","0.1136","0.0437","","","0.089","0.1218","","","","","","1.041","","","","has coordinates","257670","2020-10-21","18:00:00",""
"7059695","8.76","0.0003","23.4233","0.0008","10.4245","0.0003","90","","109.446","0.0015","90","","2016.96","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","MKII-293 P1","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Meerakrishna, Ramakrishnan Suseela; Smile, Suresh Snoxma; Athira, Mohanakumaran; Choutipalli, Venkata Surya Kumar; Shanmugam, Ponnusamy","Diverse reactivity of isatin-based N,N′-cyclic azomethine imine dipoles with arynes: synthesis of 1′-methyl-2′-oxospiro [indene-1,3′-indolines] and 3-aryl-3-pyrazol-2-oxindoles","New Journal of Chemistry","2020","44","27","11593","11601","10.1039/D0NJ01684E","","","0.71073","MoKα","","0.0564","0.0422","","","0.0907","0.0992","","","","","","1.057","","","","has coordinates","257670","2020-10-21","18:00:00",""
"7059696","12.983","0.003","12.994","0.003","33.62","0.007","90","","91.884","0.004","90","","5669","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H52 N6 Ni2 O6 -","- C60 H52 N6 Ni2 O6 -","- C240 H208 N24 Ni8 O24 -","4","2","","Mkrtchyan, Anna F.; Hayriyan, Liana A.; Karapetyan, Ani J.; Tovmasyan, Anna S.; Tsaturyan, Avetis H.; Khrustalev, Victor N.; Maleev, Viktor I.; Saghyan, Ashot S.","Using the Ni-[(benzylprolyl)amino]benzophenone complex in the Glaser reaction for the synthesis of bis α-amino acids","New Journal of Chemistry","2020","44","28","11927","11932","10.1039/D0NJ02072A","","","0.71073","MoKα","","0.1028","0.0766","","","0.1852","0.1998","","","","","","1.064","","","","has coordinates,has disorder","257646","2020-10-21","18:00:00",""
"7059697","4.8356","0.0008","19.976","0.004","12.518","0.003","90","","95.013","0.005","90","","1204.6","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Rodrigues, Daniel A.; Pinheiro, Pedro de Sena M.; S. Sagrillo, Fernanda; R. Freitas, Maria Clara; A. Alves, Marina; Thota, Sreekanth; Tinoco, Luzineide W.; Magalhães, Alvicler; Sant’Anna, Carlos M. R.; Fraga, Carlos A. M.","Structure‒property relationship studies of 3-acyl-substituted furans: the serendipitous identification and characterization of a new non-classical hydrogen bond donor moiety","New Journal of Chemistry","2020","44","26","10994","11005","10.1039/D0NJ01598A","","","0.71073","MoKα","","0.1608","0.0649","","","0.0955","0.1226","","","","","","1.068","","","","has coordinates,has disorder","257718","2020-10-21","18:00:00",""
"7059698","11.337","0.001","4.954","0.0004","19.4646","0.0016","90","","104.141","0.005","90","","1060.07","0.16","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Rodrigues, Daniel A.; Pinheiro, Pedro de Sena M.; S. Sagrillo, Fernanda; R. Freitas, Maria Clara; A. Alves, Marina; Thota, Sreekanth; Tinoco, Luzineide W.; Magalhães, Alvicler; Sant’Anna, Carlos M. R.; Fraga, Carlos A. M.","Structure‒property relationship studies of 3-acyl-substituted furans: the serendipitous identification and characterization of a new non-classical hydrogen bond donor moiety","New Journal of Chemistry","2020","44","26","10994","11005","10.1039/D0NJ01598A","","x-ray","0.71073","MoKα","","0.1009","0.0524","","","0.1139","0.1337","","","","","","1.06","","","","has coordinates","257718","2020-10-21","18:00:00",""
"7059699","18.9613","0.0009","9.3523","0.0004","26.6508","0.0012","90","","91.116","0.002","90","","4725.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Cl3 N3 Pd -","- C46 H62 Cl3 N3 Pd -","- C184 H248 Cl12 N12 Pd4 -","4","1","","Reddy, Motakatla Venkata Krishna; Anusha, Gokanapalli; Reddy, Peddiahgari Vasu Govardhana","Sterically enriched bulky 1,3-bis(N,N′-aralkyl)benzimidazolium based Pd-PEPPSI complexes for Buchwald‒Hartwig amination reactions","New Journal of Chemistry","2020","44","27","11694","11703","10.1039/D0NJ01294G","","","0.71073","MoKα","","0.0966","0.0535","","","0.1151","0.144","","","","","","1.052","","","","has coordinates,has disorder","257673","2020-10-21","18:00:00",""
"7059700","11.0392","0.0006","12.2336","0.0006","27.2764","0.0015","90","","96.775","0.006","90","","3657.9","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cl F6 Ni O P3 S2 -","- C36 H32 Cl F6 Ni O P3 S2 -","- C144 H128 Cl4 F24 Ni4 O4 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.1729","0.09","","","0.1804","0.2155","","","","","","0.994","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059701","10.9357","0.0004","12.1613","0.0005","28.0623","0.0012","90","","98.931","0.001","90","","3686.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 F6 Ni O2 P3 S2 -","- C37 H35 F6 Ni O2 P3 S2 -","- C148 H140 F24 Ni4 O8 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.0908","0.0649","","","0.112","0.1242","","","","","","1.068","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059702","11.1751","0.0006","12.1847","0.0006","28.1335","0.0015","90","","100.96","0.006","90","","3760.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 F6 Ni O P3 S2 -","- C40 H35 F6 Ni O P3 S2 -","- C160 H140 F24 Ni4 O4 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.0886","0.0604","","","0.113","0.1252","","","","","","1.069","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059703","10.9862","0.0004","12.1826","0.0004","27.6729","0.0011","90","","98.034","0.004","90","","3667.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Br F6 Ni O P3 S2 -","- C36 H32 Br F6 Ni O P3 S2 -","- C144 H128 Br4 F24 Ni4 O4 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.1134","0.0579","","","0.1187","0.1383","","","","","","0.921","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059704","9.159","0.004","7.816","0.003","24.42","0.011","90","","99.059","0.007","90","","1726.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Co N15 -","- C8 H22 Co N15 -","- C32 H88 Co4 N60 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Panja, Anangamohan","The first report of a tetra-azide bound mononuclear cobalt(iii) complex and its comparative biomimetic catalytic activity with tri-azide bound cobalt(iii) compounds","New Journal of Chemistry","2020","44","27","11527","11536","10.1039/D0NJ02339F","","","0.71073","MoKα","","0.1198","0.0879","","","0.2218","0.2626","","","","","","1.143","","","","has coordinates","257671","2020-10-21","18:00:00",""
"7059705","8.5905","0.0004","15.1046","0.0007","10.9917","0.0005","90","","99.511","0.002","90","","1406.63","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H19 Co N12 -","- C7 H19 Co N12 -","- C28 H76 Co4 N48 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Panja, Anangamohan","The first report of a tetra-azide bound mononuclear cobalt(iii) complex and its comparative biomimetic catalytic activity with tri-azide bound cobalt(iii) compounds","New Journal of Chemistry","2020","44","27","11527","11536","10.1039/D0NJ02339F","","","0.71073","MoKα","","0.041","0.0285","","","0.0645","0.0701","","","","","","1.018","","","","has coordinates","257671","2020-10-21","18:00:00",""
"7059706","8.1748","0.0018","9.1211","0.0019","11.034","0.002","89.394","0.009","78.199","0.009","66.964","0.008","738.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H21 Co N12 -","- C8 H21 Co N12 -","- C16 H42 Co2 N24 -","2","1","","Jana, Narayan Ch.; Brandão, Paula; Panja, Anangamohan","The first report of a tetra-azide bound mononuclear cobalt(iii) complex and its comparative biomimetic catalytic activity with tri-azide bound cobalt(iii) compounds","New Journal of Chemistry","2020","44","27","11527","11536","10.1039/D0NJ02339F","","","0.71073","MoKα","","0.0282","0.0262","","","0.0618","0.0627","","","","","","1.125","","","","has coordinates,has disorder","257671","2020-10-21","18:00:00",""
"7059707","7.8034","0.0002","13.062","0.0003","14.6101","0.0004","91.3974","0.001","92.4383","0.0011","92.1014","0.001","1486.33","0.07","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F6 N S -","- C16 H11 F6 N S -","- C64 H44 F24 N4 S4 -","4","2","","Ergun, Selin; Casselman, Matthew D.; Kaur, Aman Preet; Attanayake, N. Harsha; Parkin, Sean R.; Odom, Susan A.","Improved synthesis of N-ethyl-3,7-bis(trifluoromethyl)phenothiazine","New Journal of Chemistry","2020","44","26","11349","11355","10.1039/D0NJ00184H","","","0.71073","MoKα","","0.1035","0.0576","","","0.1325","0.1538","","","","","","1.057","","","","has coordinates","257714","2020-10-21","18:00:00",""
"7059708","9.7969","0.0002","26.2133","0.0006","10.1713","0.0002","90","","115.865","0.0008","90","","2350.42","0.09","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl6 F6 N S Sb -","- C16 H11 Cl6 F6 N S Sb -","- C64 H44 Cl24 F24 N4 S4 Sb4 -","4","1","","Ergun, Selin; Casselman, Matthew D.; Kaur, Aman Preet; Attanayake, N. Harsha; Parkin, Sean R.; Odom, Susan A.","Improved synthesis of N-ethyl-3,7-bis(trifluoromethyl)phenothiazine","New Journal of Chemistry","2020","44","26","11349","11355","10.1039/D0NJ00184H","","","0.71073","MoKα","","0.0391","0.0266","","","0.0657","0.0689","","","","","","1.077","","","","has coordinates","257714","2020-10-21","18:00:00",""
"7059709","10.3743","0.0005","17.9247","0.0007","11.0539","0.0006","90","","114.482","0.006","90","","1870.73","0.18","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H7 N15 O2 Zn2 -","- C4 H7 N15 O2 Zn2 -","- C16 H28 N60 O8 Zn8 -","4","0.5","","Talha, Khalid; Alamgir,; He, Tao; Xie, Lin-Hua; Wang, Bin; Zhao, Min-Jian; Zhang, Yong-Zheng; Chen, Qiang; Li, Jian-Rong","A three-dimensional metal‒organic framework with high performance of dual cation sensing synthesized via single-crystal transformation","New Journal of Chemistry","2020","44","27","11829","11834","10.1039/D0NJ02617D","","","1.54178","CuKα","","0.1474","0.1444","","","0.375","0.377","","","","","","0.947","","","","has coordinates","257675","2020-10-21","18:00:00",""
"7059710","17.2632","0.0007","25.2792","0.0015","10.2353","0.0004","90","","90","","90","","4466.7","0.4","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C9 H2 N15 O4 S Zn2 -","- C9 H2 N15 O4 S Zn2 -","- C36 H8 N60 O16 S4 Zn8 -","4","0.5","","Talha, Khalid; Alamgir,; He, Tao; Xie, Lin-Hua; Wang, Bin; Zhao, Min-Jian; Zhang, Yong-Zheng; Chen, Qiang; Li, Jian-Rong","A three-dimensional metal‒organic framework with high performance of dual cation sensing synthesized via single-crystal transformation","New Journal of Chemistry","2020","44","27","11829","11834","10.1039/D0NJ02617D","","","0.71073","MoKα","","0.0566","0.0394","","","0.1021","0.1102","","","","","","0.97","","","","has coordinates","257675","2020-10-21","18:00:00",""
"7059711","13.2481","0.0004","8.2931","0.0003","12.1623","0.0004","90","","90","","90","","1336.25","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 O5 S -","- C15 H10 O5 S -","- C60 H40 O20 S4 -","4","1","","Singhal, Divya; Althagafi, Ismail; Kumar, Ashish; Yadav, Saroj; Prasad, Ashok K.; Pratap, Ramendra","Thieno[3,2-c]pyran: an ESIPT based fluorescence “turn-on” molecular chemosensor with AIE properties for the selective recognition of Zn2+ ion","New Journal of Chemistry","2020","44","28","12019","12026","10.1039/D0NJ02236E","","","0.71073","MoKα","","0.0728","0.0453","","","0.1124","0.1453","","","","","","0.648","","","","has coordinates","257642","2020-10-21","18:00:00",""
"7059712","9.6699","0.0005","10.489","0.0005","14.1542","0.0007","98.933","0.002","92.81","0.002","116.519","0.002","1257.57","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 Cl2 N2 O2 -","- C26 H35 Cl2 N2 O2 -","- C52 H70 Cl4 N4 O4 -","2","1","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.0517","0.0476","","","0.117","0.1218","","","","","","1.079","","","","has coordinates,has disorder","257679","2020-10-21","18:00:00",""
"7059713","13.4263","0.0011","10.4815","0.0007","22.0703","0.0019","90","","88.723","0.002","90","","3105.1","0.4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","SA_35","SA_35","","- C28 H42 Cl2 Cu N2 O3 S -","- C28 H42 Cl2 Cu N2 O3 S -","- C112 H168 Cl8 Cu4 N8 O12 S4 -","4","1","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.2172","0.071","","","0.1341","0.1841","","","","","","0.983","","","","has coordinates,has disorder","257679","2020-10-21","18:00:00",""
"7059714","9.9131","0.0011","12.5169","0.0014","12.6036","0.0013","66.017","0.005","84.101","0.006","79.497","0.006","1404.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","sa_34","sa_34","","- C29 H44 Cu N O3 -","- C29 H44 Cu N2 O3 -","- C58 H88 Cu2 N4 O6 -","2","1","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.1367","0.0524","","","0.1059","0.1368","","","","","","0.977","","","","has coordinates","257679","2020-10-21","18:00:00",""
"7059715","15.048","0.002","21.675","0.003","16.615","0.002","90","","93.091","0.008","90","","5411.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","SA_30","SA_30","","- C54 H76 Cl4 Cu2 N4 O6 -","- C54 H76 Cl4 Cu2 N4 O6 -","- C216 H304 Cl16 Cu8 N16 O24 -","4","1","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.1662","0.0875","","","0.2096","0.2579","","","","","","1.026","","","","has coordinates","257679","2020-10-21","18:00:00",""
"7059716","18.9276","0.0012","4.6593","0.0004","24.5504","0.0015","90","","99.376","0.003","90","","2136.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N5 O2 -","- C10 H13 N5 O2 -","- C80 H104 N40 O16 -","8","2","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","","1.54178","CuKα","","0.035","0.0324","","","0.0832","0.085","","","","","","1.058","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059717","12.3113","0.0008","5.294","0.0004","20.4958","0.0014","90","","92.104","0.002","90","","1334.93","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N5 O2 -","- C11 H16 Cl N5 O2 -","- C44 H64 Cl4 N20 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","","1.54178","CuKα","","0.054","0.054","","","0.1544","0.1545","","","","","","1.137","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059718","12.3472","0.0005","6.8033","0.0003","18.2781","0.0007","90","","108.271","0.001","90","","1457.98","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N5 O3 -","- C14 H21 N5 O3 -","- C56 H84 N20 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","","1.54178","CuKα","","0.0349","0.034","","","0.0932","0.0943","","","","","","1.065","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059719","7.159","0.004","9.126","0.004","9.472","0.004","102.47","0.04","91.989","0.009","98.392","0.009","596.4","0.5","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O2 -","- C11 H15 N5 O2 -","- C22 H30 N10 O4 -","2","1","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","x-ray","0.71073","MoKα","","0.0716","0.0551","","","0.1403","0.1481","","","","","","1.046","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059720","12.9292","0.0012","10.5655","0.001","17.6719","0.0016","90","","92.537","0.002","90","","2411.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrrole derivative","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Singh, Manpreet; Paul, Avijit Kumar; Singh, Virender","A transition metal-free approach towards the regioselective synthesis of β-carboline tethered pyrroles and 2,3-dihydro-1H-pyrroles","New Journal of Chemistry","2020","44","28","12370","12383","10.1039/D0NJ02315A","","","0.71073","MoKα","","0.1294","0.0608","","","0.1475","0.1746","","","","","","0.925","","","","has coordinates","257643","2020-10-21","18:00:00",""
"7059721","7.5299","0.0002","7.987","0.0002","14.8987","0.0004","92.9","0.002","95.074","0.002","89.857","0.002","891.37","0.04","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cl2 Cu N6 O6 -","- C40 H34 Cl2 Cu N6 O6 -","- C40 H34 Cl2 Cu N6 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0447","0.0397","","","0.111","0.1125","","","","","","1.112","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059722","7.9504","0.0004","11.2409","0.0005","11.5631","0.0005","111.459","0.003","107.655","0.004","96.108","0.004","888.51","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl2 Cu N8 O6 -","- C38 H32 Cl2 Cu N8 O6 -","- C38 H32 Cl2 Cu N8 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0489","0.0416","","","0.122","0.1283","","","","","","1.038","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059723","15.1963","0.0011","7.4203","0.0005","17.8011","0.0009","90","","100.924","0.005","90","","1970.9","0.2","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl4 Cu N6 O6 -","- C40 H32 Cl4 Cu N6 O6 -","- C80 H64 Cl8 Cu2 N12 O12 -","2","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.057","0.0446","","","0.1214","0.1254","","","","","","0.95","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059724","7.3686","0.0003","11.4683","0.0004","12.1866","0.0005","110.961","0.003","104.284","0.003","103.325","0.003","872.23","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cu F6 N8 O6 -","- C38 H28 Cu F6 N8 O6 -","- C38 H28 Cu F6 N8 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0324","0.0296","","","0.0807","0.0823","","","","","","1.048","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059725","7.5432","0.0002","8.0729","0.0002","14.8265","0.0003","86.028","0.002","85.211","0.002","89.102","0.002","897.51","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cu N6 O6 -","- C42 H40 Cu N6 O6 -","- C42 H40 Cu N6 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0412","0.034","","","0.0864","0.0883","","","","","","0.936","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059726","12.993","0.008","14.39","0.008","16.869","0.01","90","","95.997","0.006","90","","3137","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl2 Cu N5 O9 -","- C27 H30 Cl2 Cu N5 O9 -","- C108 H120 Cl8 Cu4 N20 O36 -","4","1","","Pi, Wen-Hui; Li, Qi-Jun; Wu, Min; Zhou, Xiao-Lin; Wei, Jia-Ni; Zhu, Xian-Hong; Zhang, Hua-Xin","Dicopper(ii) tetrapyridyl complexes incorporated with ancillary ligands for effective water oxidation","New Journal of Chemistry","2020","44","28","12194","12200","10.1039/D0NJ00624F","","","0.71073","MoKα","","0.066","0.0491","","","0.1456","0.1601","","","","","","1.005","","","","has coordinates","257647","2020-10-21","18:00:00",""
"7059727","8.6833","0.0004","13.4612","0.0008","17.1272","0.0009","90","","91.706","0.004","90","","2001.07","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0433","0.0337","","","0.0988","0.106","","","","","","1.006","","","","has coordinates","257674","2020-10-21","18:00:00",""
"7059728","8.8332","0.0005","17.4183","0.0009","17.9294","0.0009","63.3","0.004","87.46","0.005","89.376","0.006","2461.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 F12 N6 O6 P2 Ru -","- C48 H42 F12 N6 O6 P2 Ru -","- C96 H84 F24 N12 O12 P4 Ru2 -","2","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0511","0.0389","","","0.1011","0.1072","","","","","","1.047","","","","has coordinates,has disorder","257674","2020-10-21","18:00:00",""
"7059729","11.4094","0.0005","12.1354","0.0006","19.0576","0.0008","105.131","0.004","95.341","0.004","101.205","0.004","2469.7","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 F12 N6 O8 P2 Ru -","- C48 H46.001 F12 N6 O8 P2 Ru -","- C96 H92.002 F24 N12 O16 P4 Ru2 -","2","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0869","0.0756","","","0.1841","0.1919","","","","","","1.077","","","","has coordinates,has disorder","257674","2020-10-21","18:00:00",""
"7059730","7.5412","0.0005","33.74","0.003","7.9862","0.0005","90","","92.588","0.007","90","","2029.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0584","0.0474","","","0.1133","0.1183","","","","","","1.118","","","","has coordinates","257674","2020-10-21","18:00:00",""
"7059731","30.16","0.004","30.16","0.004","14.716","0.003","90","","90","","90","","13386","4","100.15","","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(PPh4)4[(MoO2)4(9HL)4].4MeOH.3H2O","","","- C152 H122 Mo4 O35 P4 -","- C148 H100 Mo4 O28 P4 -","- C592 H400 Mo16 O112 P16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","0.7109","Synchrotron","","0.1022","0.0745","","","0.1505","0.1694","","","","","","1.061","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059732","30.3905","0.0003","30.3905","0.0003","14.8757","0.0002","90","","90","","90","","13738.9","0.3","130.15","","130.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(AsPh4)4[(WO2)4(9HL)4].4MeOH.4H2O","","","- C152 H124 As4 O36 W4 -","- C150 H108 As4 O30 W4 -","- C600 H432 As16 O120 W16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","x-ray","1.54184","CuKα","","0.0467","0.0428","","","0.0964","0.098","","","","","","1.07","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059733","30.135","0.004","30.135","0.004","14.809","0.003","90","","90","","90","","13448","4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(AsPh4)4[(MoO2)4(9HL)4].3MeOH.4H2O","","","- C151 H120 As4 Mo4 O35 -","- C148 H104 As4 Mo4 O32 -","- C592 H416 As16 Mo16 O128 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","0.7107","MoKα","","0.0562","0.047","","","0.1126","0.1191","","","","","","1.034","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059734","30.2142","0.0002","30.2142","0.0002","14.7473","0.0002","90","","90","","90","","13462.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(PPh4)4[(WO2)4(9HL)4].4MeOH.3H2O","","","- C152 H122 O35 P4 W4 -","- C148 H100 O28 P4 W4 -","- C592 H400 O112 P16 W16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","1.54184","CuKα","","0.0446","0.0406","","","0.1027","0.1051","","","","","","1.056","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059735","6.096","0.0007","7.6004","0.0009","15.3686","0.0018","85.08","0.001","87.562","0.001","78.958","0.001","696.05","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl N3 O2 -","- C17 H10 Cl N3 O2 -","- C34 H20 Cl2 N6 O4 -","2","1","","He, Xinwei; Li, Ruxue; Xie, Mengqing; Duan, Jiahui; Tang, Qiang; Shang, Yongjia","Copper-catalyzed cascade three-component azide‒alkyne cycloaddition/condensation/transesterification: easy access to 3-triazolylcoumarins","New Journal of Chemistry","2020","44","28","12266","12273","10.1039/D0NJ02100H","","","0.71073","MoKα","","0.0394","0.035","","","0.0976","0.1023","","","","","","1.026","","","","has coordinates","257640","2020-10-21","18:00:00",""
"7059736","9.575","0.005","8.789","0.005","19.045","0.005","90","","96.14","0.005","90","","1593.5","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl2 Cu N3 O -","- C16 H15 Cl2 Cu N3 O -","- C64 H60 Cl8 Cu4 N12 O4 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study","New Journal of Chemistry","2020","44","29","12793","12805","10.1039/D0NJ02558E","","","0.71073","MoKα","","0.0884","0.0503","","","0.1189","0.1351","","","","","","1.009","","","","has coordinates","257634","2020-10-21","18:00:00",""
"7059737","6.7255","0.0019","23.788","0.007","9.162","0.003","90","","102.396","0.01","90","","1431.6","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 Cu N4 -","- C14 H12 Cl2 Cu N4 -","- C56 H48 Cl8 Cu4 N16 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study","New Journal of Chemistry","2020","44","29","12793","12805","10.1039/D0NJ02558E","","","0.71073","MoKα","","0.1064","0.0661","","","0.1539","0.173","","","","","","1","","","","has coordinates","257634","2020-10-21","18:00:00",""
"7059738","8.706","0.006","9.442","0.008","11.725","0.009","94.12","0.05","98","0.04","109.84","0.05","890.4","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 Cu N4 O -","- C18 H14 Cl2 Cu N4 O -","- C36 H28 Cl4 Cu2 N8 O2 -","2","1","","Podder, Nirmalya; Mandal, Sukanta","Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study","New Journal of Chemistry","2020","44","29","12793","12805","10.1039/D0NJ02558E","","","0.71073","MoKα","","0.1","0.0777","","","0.2084","0.2289","","","","","","1.041","","","","has coordinates","257634","2020-10-21","18:00:00",""
"7059739","8.343981","0.000017","5.57895","0.000013","27.61589","0.00003","90","","98.345","0.003","90","","1271.93","0.011","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 S4 -","- C32 H22 S4 -","- C64 H44 S8 -","2","0.5","","Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe","Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes","New Journal of Chemistry","2020","44","29","12556","12567","10.1039/D0NJ02382E","","","0.71073","MoKα","","0.051","0.0378","","0.1269","0.0764","0.1269","","","","","","1.1203","","","","has coordinates","257631","2020-10-21","18:00:00",""
"7059740","9.7622","0.0005","22.7394","0.001","11.8095","0.0006","90","","90","","90","","2621.6","0.2","175","","175","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H26 O4 S2 Si -","- C30 H26 O4 S2 Si -","- C120 H104 O16 S8 Si4 -","4","0.5","","Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe","Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes","New Journal of Chemistry","2020","44","29","12556","12567","10.1039/D0NJ02382E","","","0.71073","MoKα","","0.0452","0.0452","","0.0378","0.0378","0.0378","","","","","","1.1738","","","","has coordinates,has disorder","257631","2020-10-21","18:00:00",""
"7059741","8.974979","0.000018","9.87642","0.00002","11.38296","0.00002","100.05","0.003","98.367","0.003","104.414","0.003","943.16","0.02","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 S2 -","- C24 H18 S2 -","- C48 H36 S4 -","2","1","","Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe","Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes","New Journal of Chemistry","2020","44","29","12556","12567","10.1039/D0NJ02382E","","","0.71073","MoKα","","0.0472","0.0361","","0.0931","0.0853","0.0931","","","","","","0.9956","","","","has coordinates","257631","2020-10-21","18:00:00",""
"7059742","8.8483","0.0007","10.5831","0.0007","13.2516","0.001","90","","102.518","0.007","90","","1211.41","0.16","162","2","162","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-((1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylene)hydrazine-1-carbothioamide '","","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C48 H60 N12 O4 S4 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A.; Dömötör, Orsolya; Holczbauer, Tamás; May, Nóra V.; Spengler, Gabriella; Kincses, Annamária; Čipak Gašparović, Ana; Frank, Éva; Enyedy, Éva A.","Salicylaldehyde thiosemicarbazone copper complexes: impact of hybridization with estrone on cytotoxicity, solution stability and redox activity","New Journal of Chemistry","2020","44","28","12154","12168","10.1039/D0NJ01070G","","","1.54178","CuKα","","0.0557","0.0452","","","0.1034","0.1079","","","","","","1.059","","","","has coordinates,has disorder","257645","2020-10-21","18:00:00",""
"7059743","12.362","0.0007","9.1718","0.0005","24.3156","0.0013","90","","90","","90","","2756.9","0.3","168","2","168","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","chloro-(2-((1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylene)hydrazine-1-carbothioamide)-copper(II)","","- C12 H14 Cl Cu N3 O S -","- C12 H14 Cl Cu N3 O S -","- C96 H112 Cl8 Cu8 N24 O8 S8 -","8","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A.; Dömötör, Orsolya; Holczbauer, Tamás; May, Nóra V.; Spengler, Gabriella; Kincses, Annamária; Čipak Gašparović, Ana; Frank, Éva; Enyedy, Éva A.","Salicylaldehyde thiosemicarbazone copper complexes: impact of hybridization with estrone on cytotoxicity, solution stability and redox activity","New Journal of Chemistry","2020","44","28","12154","12168","10.1039/D0NJ01070G","","","1.54187","CuKα","","0.1704","0.1326","","","0.2597","0.2774","","","","","","1.26","","","","has coordinates","257645","2020-10-21","18:00:00",""
"7059744","11.8148","0.0005","11.3729","0.0005","11.8979","0.0008","90","","106.398","0.002","90","","1533.67","0.14","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 La O9 -","- C12 H4 F6 La O9 -","- C48 H16 F24 La4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0215","0.0203","","","0.0559","0.0566","","","","","","1.245","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059745","11.7587","0.0007","11.3554","0.0007","11.9289","0.0011","90","","106.93","0.011","90","","1523.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Pr -","- C12 H4 F6 O9 Pr -","- C48 H16 F24 O36 Pr4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0208","0.019","","","0.0433","0.0441","","","","","","1.08","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059746","11.7314","0.0004","11.3436","0.0004","11.936","0.0006","90","","107.15","0.007","90","","1517.77","0.12","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Nd O9 -","- C12 H4 F6 Nd O9 -","- C48 H16 F24 Nd4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0395","0.0397","","","","","","1.177","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059747","11.6844","0.0009","11.2772","0.0005","11.8934","0.0006","90","","107.051","0.008","90","","1498.28","0.17","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Sm -","- C12 H4 F6 O9 Sm -","- C48 H16 F24 O36 Sm4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0236","0.0214","","","0.0537","0.0547","","","","","","1.059","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059748","11.7966","0.0013","11.3785","0.0011","11.9288","0.0013","90","","106.795","0.002","90","","1532.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Ce F6 O9 -","- C12 H4 Ce F6 O9 -","- C48 H16 Ce4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0188","0.0183","","","0.0429","0.0431","","","","","","1.027","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059749","11.65","0.004","11.283","0.003","11.966","0.004","90","","107.656","0.006","90","","1498.8","0.8","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Eu F6 O9 -","- C12 H4 Eu F6 O9 -","- C48 H16 Eu4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0172","0.0161","","","0.0385","0.0389","","","","","","1.122","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059750","11.6039","0.0012","11.2358","0.0012","11.9986","0.0019","90","","108.027","0.001","90","","1487.6","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Tb -","- C12 H4 F6 O9 Tb -","- C48 H16 F24 O36 Tb4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0321","0.0274","","","0.0517","0.0534","","","","","","1.052","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059751","11.5557","0.0007","11.1689","0.0007","12.0722","0.0011","90","","108.475","0.012","90","","1477.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Er F6 O9 -","- C12 H4 Er F6 O9 -","- C48 H16 Er4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.02","0.0194","","","0.0476","0.0479","","","","","","1.135","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059752","11.5862","0.0012","11.2209","0.0007","12.0224","0.0008","90","","108.174","0.001","90","","1485","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Dy F6 O9 -","- C12 H4 Dy F6 O9 -","- C48 H16 Dy4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0147","0.0136","","","0.0337","0.0342","","","","","","1.063","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059753","8.771","0.0007","8.9368","0.0007","11.531","0.0009","67.313","0.002","68.094","0.003","75.535","0.002","767.76","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H2 F6 O9 Yb -","- C12 H2 F6 O9 Yb -","- C24 H4 F12 O18 Yb2 -","2","1","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0275","0.0267","","","0.0697","0.0703","","","","","","1.065","","","","has coordinates,has disorder","257641","2020-10-21","18:00:00",""
"7059754","11.5655","0.0007","11.198","0.0004","12.0457","0.0005","90","","108.321","0.006","90","","1480.97","0.13","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Ho O9 -","- C12 H4 F6 Ho O9 -","- C48 H16 F24 Ho4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0121","0.0117","","","0.03","0.0301","","","","","","1.099","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059755","11.5247","0.0003","11.12","0.0002","12.1254","0.0003","90","","108.868","0.001","90","","1470.43","0.06","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H4 F6 O9 Tm -","- C12 H4 F6 O9 Tm -","- C48 H16 F24 O36 Tm4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0259","0.0233","","","0.0472","0.0484","","","","","","1.069","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059756","11.6277","0.0008","11.2649","0.0005","11.9648","0.0005","90","","107.745","0.006","90","","1492.64","0.15","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Gd O9 -","- C12 H4 F6 Gd O9 -","- C48 H16 F24 Gd4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0166","0.0157","","","0.0379","0.0384","","","","","","1.06","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059757","8.8727","0.0016","8.8936","0.0016","11.561","0.002","67.613","0.002","67.712","0.003","75.395","0.002","774.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F6 Lu O9 -","- C12 H4 F6 Lu O9 -","- C24 H8 F12 Lu2 O18 -","2","1","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0325","0.0267","","","0.0566","0.0582","","","","","","1.103","","","","has coordinates,has disorder","257641","2020-10-21","18:00:00",""
"7059758","12.008","0.003","14.404","0.002","14.372","0.003","90","","90","","90","","2485.8","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H20 Cd N6 O5 S2 -","- C19 H20 Cd N6 O5 S2 -","- C76 H80 Cd4 N24 O20 S8 -","4","0.5","","Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Rabiee, Navid; Abbasi, Alireza; Schenk-Joß, Kurt; Tahriri, Mohammadreza; Tayebi, Lobat; Webster, Thomas J.","Development of a novel carboxamide-based off‒on switch fluorescence sensor: Hg2+, Zn2+ and Cd2+","New Journal of Chemistry","2020","44","27","11841","11852","10.1039/D0NJ02595J","","","0.71073","MoKα","","0.0895","0.0744","","","0.1759","0.1858","","","","","","1.187","","","","has coordinates,has disorder","257676","2020-10-21","18:00:00",""
"7059759","14.07","0.003","11.35","0.002","14.666","0.003","90","","92.38","0.03","90","","2340.1","0.8","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19.74 H21.1 Cl0.24 N6 O4.81 S2 Zn -","- C19.74 H21.1 Cl0.24 N6 O4.81 S2 Zn -","- C78.96 H84.4 Cl0.96 N24 O19.24 S8 Zn4 -","4","1","","Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Rabiee, Navid; Abbasi, Alireza; Schenk-Joß, Kurt; Tahriri, Mohammadreza; Tayebi, Lobat; Webster, Thomas J.","Development of a novel carboxamide-based off‒on switch fluorescence sensor: Hg2+, Zn2+ and Cd2+","New Journal of Chemistry","2020","44","27","11841","11852","10.1039/D0NJ02595J","","","0.6957","synchrotron","","0.0718","0.0715","","","0.1924","0.1925","","","","","","1.182","","","","has coordinates,has disorder","257676","2020-10-21","18:00:00",""
"7059760","35.728","0.002","20.5718","0.0011","20.8517","0.0013","90","","90","","90","","15325.8","1.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Er F18 N4 O6 -","- C29 H15 Er F18 N4 O6 -","- C464 H240 Er16 F288 N64 O96 -","16","2","","Ahmed, Zubair; Mahiya, Kuldeep; Iftikhar, Khalid","Structures and pure near-infrared photophysics of erbium and ytterbium(iii) complexes incorporating fluorinated β-diketone and neutral unidentate ligands","New Journal of Chemistry","2020","44","30","13172","13181","10.1039/D0NJ02059A","","","0.71073","MoKα","","0.0895","0.0432","","","0.091","0.1147","","","","","","1.055","","","","has coordinates,has disorder","257829","2020-10-21","18:00:00",""
"7059761","12.054","0.005","19.151","0.005","19.508","0.005","90","","102.534","0.005","90","","4396","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 F18 La N6 O6 -","- C36 H21 F18 La N6 O6 -","- C144 H84 F72 La4 N24 O24 -","4","1","","Ahmed, Zubair; Mahiya, Kuldeep; Iftikhar, Khalid","Structures and pure near-infrared photophysics of erbium and ytterbium(iii) complexes incorporating fluorinated β-diketone and neutral unidentate ligands","New Journal of Chemistry","2020","44","30","13172","13181","10.1039/D0NJ02059A","","","0.71073","MoKα","","0.0459","0.0319","","","0.08","0.0867","","","","","","1.056","","","","has coordinates,has disorder","257829","2020-10-21","18:00:00",""
"7059762","9.797","0.004","15.252","0.006","16.948","0.007","75.387","0.007","73.275","0.007","85.17","0.007","2346.7","1.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 N4 O8 Zn2 -","- C47 H29 N4 O8 Zn2 -","- C94 H58 N8 O16 Zn4 -","2","1","","Hu, Xiao-Li; Wang, Kang; Li, Xiao; Pan, Qing-Qing; Su, Zhong-Min","Two anthracene chromophore based metal‒organic frameworks for gas adsorption and promising nitro aromatic sensing","New Journal of Chemistry","2020","44","29","12496","12502","10.1039/D0NJ02753G","","x-ray","0.71073","MoKα","K-L~3~","0.1374","0.0765","","","0.1928","0.2153","","","","","","0.871","","","","has coordinates","257637","2020-10-21","18:00:00",""
"7059763","32.143","0.004","10.3824","0.001","32.772","0.004","90","","115.79","0.004","90","","9847","2","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H44 Cd2 N4 Na O12 -","- C74 H44 Cd2 N4 Na O12 -","- C296 H176 Cd8 N16 Na4 O48 -","4","0.5","","Hu, Xiao-Li; Wang, Kang; Li, Xiao; Pan, Qing-Qing; Su, Zhong-Min","Two anthracene chromophore based metal‒organic frameworks for gas adsorption and promising nitro aromatic sensing","New Journal of Chemistry","2020","44","29","12496","12502","10.1039/D0NJ02753G","","","0.71073","MoKα","","0.0985","0.0721","","","0.2016","0.219","","","","","","0.967","","","","has coordinates,has disorder","257637","2020-10-21","18:00:00",""
"7059764","7.691","0.0007","13.9407","0.0012","13.4635","0.0012","90","","93.39","0.003","90","","1441","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N O5 -","- C15 H10 Br N O5 -","- C60 H40 Br4 N4 O20 -","4","1","","Feng, Juhua; Wang, Siyuan; Feng, Jinxiang; Li, Qiuju; Yue, Junping; Yue, Guizhou; Zou, Ping; Wang, Guangtu","Mild and efficient synthesis of trans-3-aryl-2-nitro-2,3-dihydrobenzofurans on water","New Journal of Chemistry","2020","44","28","11937","11940","10.1039/D0NJ00548G","","","0.71073","MoKα","","0.0745","0.0456","","","0.1196","0.1347","","","","","","1.043","","","","has coordinates","257638","2020-10-21","18:00:00",""
"7059765","20.621","0.0002","9.05593","0.00012","11.20988","0.00013","90","","96.0872","0.001","90","","2081.56","0.04","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Co N4 O12 -","- C16 H22 Co N4 O12 -","- C64 H88 Co4 N16 O48 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","x-ray","0.71073","MoKα","","0.0285","0.0266","","","0.0664","0.0675","","","","","","1.026","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059766","20.6603","0.0009","9.0466","0.0004","11.1969","0.0005","90","","96.23","0.004","90","","2080.4","0.16","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N4 O12 Zn -","- C16 H22 N4 O12 Zn -","- C64 H88 N16 O48 Zn4 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","x-ray","0.71073","MoKα","","0.0271","0.0251","","","0.0609","0.0619","","","","","","1.078","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059767","20.6312","0.0008","9.2643","0.0004","11.2605","0.0004","90","","95.733","0.001","90","","2141.5","0.15","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Co0.66 N4 Ni0.33 O12 -","- C16 H22 Co0.666 N4 Ni0.334 O12 -","- C64 H88 Co2.664 N16 Ni1.336 O48 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","","0.71073","MoKα","","0.0316","0.0276","","","0.0676","0.0697","","","","","","1.047","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059768","20.6689","0.0005","9.2368","0.0003","11.2492","0.0003","90","","95.759","0.001","90","","2136.8","0.1","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Co0.66 N4 O12 Zn0.33 -","- C16 H22 Co0.666 N4 O12 Zn0.334 -","- C64 H88 Co2.664 N16 O48 Zn1.336 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","","0.71073","MoKα","","0.0346","0.0297","","","0.076","0.0783","","","","","","1.17","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059769","15.275","0.0012","5.8287","0.0004","12.9351","0.0009","90","","95.532","0.002","90","","1146.29","0.14","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O7 -","- C8 H14 N2 O7 -","- C32 H56 N8 O28 -","4","1","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","","0.71073","MoKα","","0.0566","0.0402","","","0.1015","0.1106","","","","","","1.035","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059770","6.6036","0.0013","12.158","0.002","12.513","0.002","90","","95.214","0.004","90","","1000.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 Cl3 N2 O Pt -","- C5 H9 Cl3 N2 O Pt -","- C20 H36 Cl12 N8 O4 Pt4 -","4","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.0221","0.0176","","","0.0372","0.0383","","","","","","1.037","","","","has coordinates","257636","2020-10-21","18:00:00",""
"7059771","10.5561","0.0004","8.2051","0.0003","12.2809","0.0005","90","","93.879","0.001","90","","1061.26","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Au Cl4 N2 -","- C5 H7 Au Cl4 N2 -","- C20 H28 Au4 Cl16 N8 -","4","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.023","0.0148","","","0.0318","0.0349","","","","","","1.057","","","","has coordinates,has disorder","257636","2020-10-21","18:00:00",""
"7059772","7.8576","0.0003","8.7084","0.0003","9.563","0.0003","110.766","0.001","92.548","0.001","102.567","0.001","591.87","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H7 Au Br4 N2 -","- C5 H7 Au Br4 N2 -","- C10 H14 Au2 Br8 N4 -","2","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.0195","0.0158","","","0.0354","0.0365","","","","","","1.048","","","","has coordinates","257636","2020-10-21","18:00:00",""
"7059773","7.3655","0.0013","9.5071","0.0016","14.007","0.002","71.099","0.003","84.673","0.004","68.279","0.004","861.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Au2 Br2 N4 -","- C10 H12 Au2 Br2 N4 -","- C20 H24 Au4 Br4 N8 -","2","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.0373","0.0323","","","0.0757","0.0777","","","","","","1.086","","","","has coordinates","257636","2020-10-21","18:00:00",""
"7059774","10.6316","0.0018","11.5548","0.0019","22.781","0.004","90","","92.441","0.01","90","","2796","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cu2 N12 O8 -","- C60 H64 Cu2 N12 O8 -","- C120 H128 Cu4 N24 O16 -","2","0.5","","Chakraborty, Moumita; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Structural divergence in binuclear Cu(ii) pyridoxal Schiff base complexes probed by co-ligands: catecholase mimetic activity and sulphide ion sensing","New Journal of Chemistry","2020","44","30","12916","12925","10.1039/D0NJ00719F","","","0.71073","MoKα","","0.0685","0.0533","","","0.1358","0.1509","","","","","","0.962","","","","has coordinates","257828","2020-10-21","18:00:00",""
"7059775","9.1404","0.0012","9.9798","0.001","10.3571","0.0014","90.226","0.006","106.242","0.007","99.481","0.006","893.42","0.19","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N12 O6 -","- C34 H30 Cu2 N12 O6 -","- C34 H30 Cu2 N12 O6 -","1","0.5","","Chakraborty, Moumita; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Structural divergence in binuclear Cu(ii) pyridoxal Schiff base complexes probed by co-ligands: catecholase mimetic activity and sulphide ion sensing","New Journal of Chemistry","2020","44","30","12916","12925","10.1039/D0NJ00719F","","","0.71073","MoKα","","0.0359","0.0341","","","0.1003","0.1029","","","","","","1.024","","","","has coordinates","257828","2020-10-21","18:00:00",""
"7059776","7.3934","0.0012","9.381","0.0017","14.16","0.003","97.782","0.015","99.514","0.012","107.237","0.01","907.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Cu2 N8 O6 S2 -","- C34 H38 Cu2 N8 O6 S2 -","- C34 H38 Cu2 N8 O6 S2 -","1","0.5","","Chakraborty, Moumita; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Structural divergence in binuclear Cu(ii) pyridoxal Schiff base complexes probed by co-ligands: catecholase mimetic activity and sulphide ion sensing","New Journal of Chemistry","2020","44","30","12916","12925","10.1039/D0NJ00719F","","","0.71073","MoKα","","0.0849","0.0671","","","0.1296","0.1364","","","","","","1.55","","","","has coordinates","257828","2020-10-21","18:00:00",""
"7059777","33.76","0.004","6.1009","0.0006","17.523","0.002","90","","118.99","0.004","90","","3156.9","0.6","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N4 S2 Zn -","- C36 H26 N4 S2 Zn -","- C144 H104 N16 S8 Zn4 -","4","0.5","","Dutta, Basudeb; Dey, Sunanda; Pal, Kunal; Bera, Sambhunath; Naaz, Sanobar; Jana, Kuladip; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah","Supramolecular assembly of a 4-(1-naphthylvinyl)pyridine-appended Zn(ii) coordination compound for the turn-on fluorescence sensing of trivalent metal ions (Fe3+, Al3+, and Cr3+) and cell imaging application","New Journal of Chemistry","2020","44","30","13163","13171","10.1039/D0NJ01608J","","","0.71073","MoKα","","0.0454","0.0333","","","0.086","0.0952","","","","","","1.04","","","","has coordinates","257825","2020-10-21","18:00:00",""
"7059778","8.0075","0.0011","17.5214","0.0017","27.658","0.004","90","","94.252","0.011","90","","3869.8","0.9","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40.67 H38 Br2 N3 O6.67 -","- C40.6664 H37.9868 Br2 N3 O6.6666 -","- C162.666 H151.947 Br8 N12 O26.6664 -","4","0.5","","David, Sylvain; Pilet, Guillaume; Berginc, Gérard; Andraud, Chantal; Maury, Olivier","Poly-halogenated aza-bodipy dyes with improved solubility as a versatile synthetic platform for the design of photonic materials","New Journal of Chemistry","2020","44","30","13125","13130","10.1039/D0NJ02631J","","","0.71069","MoKα","","0.0616","0.0616","","0.0917","0.0917","0.0902","","","","","","1.3822","","","","has coordinates","257826","2020-10-21","18:00:00",""
"7059779","9.4848","0.0013","11.075","0.0013","22.1993","0.0016","77.14","0.008","79.573","0.009","73.999","0.011","2167.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H57 Br2 N3 O2 -","- C50 H57 Br2 N3 O2 -","- C100 H114 Br4 N6 O4 -","2","1","","David, Sylvain; Pilet, Guillaume; Berginc, Gérard; Andraud, Chantal; Maury, Olivier","Poly-halogenated aza-bodipy dyes with improved solubility as a versatile synthetic platform for the design of photonic materials","New Journal of Chemistry","2020","44","30","13125","13130","10.1039/D0NJ02631J","","","0.71069","MoKα","","0.0773","0.0554","","0.063","0.0468","0.0434","","","","","","1.1691","","","","has coordinates","257826","2020-10-21","18:00:00",""
"7059780","13.8336","0.0011","14.4635","0.0011","15.3548","0.0012","66.622","0.002","71.512","0.002","85.747","0.003","2669.8","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Cl4 N12 O12 -","- C48 H46 Cl4 N12 O12 -","- C96 H92 Cl8 N24 O24 -","2","1","","Pramanik, Samit; Manna, Saikat Kumar; Pathak, Sudipta; Mondal, Debasish; Pal, Kunal; Mukhopadhyay, Subrata","Chromogenic and fluorogenic “off‒on‒off” chemosensor for selective and sensitive detection of aluminum (Al3+) and bifluoride (HF2−) ions in solution and in living Hep G2 cells: synthesis, experimental and theoretical studies","New Journal of Chemistry","2020","44","31","13259","13265","10.1039/D0NJ02117B","","","0.71073","MoKα","","0.0765","0.0534","","","0.1636","0.1886","","","","","","1.11","","","","has coordinates","257834","2020-10-21","18:00:00",""
"7059781","30.8908","0.0012","9.66","0.0003","12.8697","0.0005","90","","90","","90","","3840.4","0.2","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C41 H41 Cl3 Fe N5 O3 S -","- C41 H41 Cl3 Fe N5 O3 S -","- C164 H164 Cl12 Fe4 N20 O12 S4 -","4","1","","Zhao, Mei; Shao, Guang-Kui; Guo, Yu-Shuang; Tang, Yan-Ling; Liu, Jian-Biao; Guo, Dian-Shun","A reaction-type receptor for the multi-feature detection of Hg2+ in water and living cells","New Journal of Chemistry","2020","44","29","12538","12545","10.1039/D0NJ01995J","","x-ray","1.54184","CuKα","","0.0864","0.0728","","","0.1875","0.2047","","","","","","1.029","","","","has coordinates","257635","2020-10-21","18:00:00",""
"7059782","10.2256","0.0006","10.6901","0.0007","20.4388","0.0014","97.5","0.005","91.855","0.005","90.003","0.005","2213.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","Ethyl (E)-3-[4'-(diphenylamino)-[1,1'-biphenyl]-4-yl]acrylate","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","4","","Paolino, Marco; Reale, Annalisa; Razzano, Vincenzo; Giorgi, Gianluca; Giuliani, Germano; Villafiorita-Monteleone, Francesca; Botta, Chiara; Coppola, Carmen; Sinicropi, Adalgisa; Cappelli, Andrea","Design, synthesis, structure, and photophysical features of highly emissive cinnamic derivatives","New Journal of Chemistry","2020","44","32","13644","13653","10.1039/D0NJ02429E","","x-ray","0.71073","MoKα","","0.0895","0.0771","","","0.1961","0.205","","","","","","1.025","","","","has coordinates","257681","2020-10-21","18:00:00",""
"7059783","9.0143","0.0002","9.4894","0.0002","23.3187","0.0005","90","","94.104","0.007","90","","1989.57","0.08","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl (E)-3-[4-(9,9-dimethyl-9H-fluoren-2-yl)phenyl]acrylate","","- C26 H24 O2 -","- C26 H24 O2 -","- C104 H96 O8 -","4","1","","Paolino, Marco; Reale, Annalisa; Razzano, Vincenzo; Giorgi, Gianluca; Giuliani, Germano; Villafiorita-Monteleone, Francesca; Botta, Chiara; Coppola, Carmen; Sinicropi, Adalgisa; Cappelli, Andrea","Design, synthesis, structure, and photophysical features of highly emissive cinnamic derivatives","New Journal of Chemistry","2020","44","32","13644","13653","10.1039/D0NJ02429E","","x-ray","1.54187","CuKα","K-L~3~","0.0394","0.0345","","","0.0849","0.0879","","","","","","1.045","","","","has coordinates","257681","2020-10-21","18:00:00",""
"7059784","7.5617","0.0002","15.7974","0.0003","22.4261","0.0007","90","","91.725","0.003","90","","2677.7","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl Cu N5 O10 Se -","- C24 H16 Cl Cu N5 O3 Se -","- C96 H64 Cl4 Cu4 N20 O12 Se4 -","4","1","","Malček, Michal; Kožíšková, Júlia; Herich, Peter; Rapta, Peter; Stepanenko, Iryna; Arion, Vladimir B.","Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study","New Journal of Chemistry","2020","44","30","13195","13206","10.1039/D0NJ02447C","","","0.71073","MoKα","","0.0673","0.0482","","","0.1271","0.1371","","","","","","1.046","","","","has coordinates","257827","2020-10-21","18:00:00",""
"7059785","7.18143","0.00015","23.6904","0.0007","22.8941","0.0005","90","","94.7014","0.0017","90","","3881.89","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Co N8 O13 Se2 -","- C36 H24 Co N8 O6 Se2 -","- C144 H96 Co4 N32 O24 Se8 -","4","1","","Malček, Michal; Kožíšková, Júlia; Herich, Peter; Rapta, Peter; Stepanenko, Iryna; Arion, Vladimir B.","Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study","New Journal of Chemistry","2020","44","30","13195","13206","10.1039/D0NJ02447C","","","1.54186","CuKα","","0.1173","0.0488","","","0.0876","0.0981","","","","","","0.822","","","","has coordinates,has disorder","257827","2020-10-21","18:00:00",""
"7059786","7.35306","0.00019","23.685","0.0005","22.9755","0.0008","90","","93.681","0.003","90","","3993.09","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N8 Ni O13 Se2 -","- C36 H24 N8 Ni O6 Se2 -","- C144 H96 N32 Ni4 O24 Se8 -","4","1","","Malček, Michal; Kožíšková, Júlia; Herich, Peter; Rapta, Peter; Stepanenko, Iryna; Arion, Vladimir B.","Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study","New Journal of Chemistry","2020","44","30","13195","13206","10.1039/D0NJ02447C","","","0.71073","MoKα","","0.0775","0.0469","","","0.1179","0.1308","","","","","","1.018","","","","has coordinates,has disorder","257827","2020-10-21","18:00:00",""
"7059787","9.1843","0.0005","14.6445","0.0008","12.5246","0.0007","90","","102.665","0.002","90","","1643.56","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O7 -","- C18 H18 N2 O7 -","- C72 H72 N8 O28 -","4","1","","Shaikh, Ahad; Ghosh, Milan; Mukherjee, Pallabi; Ghosh, Avijit; Molla, Rostam Ali; Ta, Sabyasachi; Das, Debasis","Amide‒imine conjugate involving gallic acid and naphthalene for nano-molar detection, enrichment and cancer cell imaging of La3+: studies on the catalytic activity of the La3+ complex","New Journal of Chemistry","2020","44","31","13501","13506","10.1039/D0NJ02415E","","","0.71073","MoKα","","0.0773","0.0444","","","0.0967","0.1126","","","","","","1.026","","","","has coordinates","257836","2020-10-21","18:00:00",""
"7059788","11.734","0.002","21.779","0.004","12.503","0.002","90","","104.189","0.002","90","","3097.7","0.9","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Co Mo4 N12 O16 -","- C14 H26 Co Mo4 N12 O16 -","- C56 H104 Co4 Mo16 N48 O64 -","4","1","","Chi, Jiaqi; Fan, Mingyue; Su, Zhongmin; Li, Xiao; Sun, Jing; Zhou, Chen; Hu, Xiaoli","Octamolybdate-based hybrid constructed by flexible bis-triazole ligands: synthesis, photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","32","13524","13528","10.1039/D0NJ00169D","","x-ray","0.71073","MoKα","K-L~3~","0.0302","0.0239","","","0.0536","0.0563","","","","","","1.052","","","","has coordinates,has disorder","257682","2020-10-21","18:00:00",""
"7059789","24.079","0.005","14.047","0.003","12.304","0.003","90","","105.83","0.03","90","","4003.8","1.7","113","","113","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H29 Cl2 N2 Ni O1.5 S2 -","- C14 H29 Cl2 N2 Ni O1.5 S2 -","- C112 H232 Cl16 N16 Ni8 O12 S16 -","8","1","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0673","0.0568","","","0.1568","0.1656","","","","","","1.091","","","","has coordinates,has disorder","257705","2020-10-21","18:00:00",""
"7059790","6.422","0.0013","27.134","0.005","10.32","0.002","90","","97.03","0.03","90","","1784.8","0.6","113.15","","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 B2 F8 N4 Ni3 S4 -","- C26 H52 B2 F8 N4 Ni3 S4 -","- C52 H104 B4 F16 N8 Ni6 S8 -","2","0.5","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.1006","0.0858","","","0.1464","0.1537","","","","","","1.21","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059791","14.9746","0.0003","14.4363","0.0002","26.1448","0.0004","90","","96.359","0.002","90","","5617.15","0.16","117","20","117","20","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H26 Fe N2 Ni O5 S2 -","- C17 H26 Fe N2 Ni O5 S2 -","- C136 H208 Fe8 N16 Ni8 O40 S16 -","8","1","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0413","0.0326","","","0.0778","0.0831","","","","","","1.044","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059792","14.938","0.003","19.323","0.004","8.082","0.0016","90","","90","","90","","2332.8","0.8","113.15","","113.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H26 I4 N2 Ni S2 -","- C13 H26 I4 N2 Ni S2 -","- C52 H104 I16 N8 Ni4 S8 -","4","0.5","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0446","0.0372","","","0.0769","0.0808","","","","","","1.17","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059793","12.423","0.003","12.854","0.003","14.255","0.003","83.97","0.03","89.15","0.03","74.77","0.03","2184","0.9","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14.5 H29 Cl3 N2 Ni O2 S2 -","- C14.5 H29 Cl3 N2 Ni O2 S2 -","- C58 H116 Cl12 N8 Ni4 O8 S8 -","4","2","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.061","0.046","","","0.113","0.1224","","","","","","1.019","","","","has coordinates,has disorder","257705","2020-10-21","18:00:00",""
"7059794","4.1928","0.0002","8.2514","0.0004","11.4846","0.0006","84.065","0.002","89.98","0.002","76.69","0.002","384.47","0.03","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6 Cu I N2 O -","- C5 H6 Cu I N2 O -","- C10 H12 Cu2 I2 N4 O2 -","2","1","","Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei","Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives","New Journal of Chemistry","2020","44","33","14103","14107","10.1039/D0NJ02341H","","","0.71073","MoKα","","0.0311","0.0232","","","0.0591","0.0621","","","","","","1.049","","","","has coordinates","257706","2020-10-21","18:00:00",""
"7059795","4.2966","0.0002","17.8851","0.0009","13.0424","0.0007","90","","92.31","0.002","90","","1001.43","0.09","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C24 H32 Cu8 I8 N8 -","4","1","","Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei","Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives","New Journal of Chemistry","2020","44","33","14103","14107","10.1039/D0NJ02341H","","","0.71073","MoKα","","0.0267","0.023","","","0.0538","0.0554","","","","","","1.102","","","","has coordinates","257706","2020-10-21","18:00:00",""
"7059796","7.749","0.0006","7.7769","0.0005","8.1453","0.0005","72.597","0.002","66.733","0.002","70.721","0.002","417.52","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu I N2 -","- C6 H8 Cu I N2 -","- C12 H16 Cu2 I2 N4 -","2","1","","Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei","Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives","New Journal of Chemistry","2020","44","33","14103","14107","10.1039/D0NJ02341H","","","0.71073","MoKα","","0.035","0.0317","","","0.074","0.0763","","","","","","1.119","","","","has coordinates","257706","2020-10-21","18:00:00",""
"7059797","10.392","0.0006","10.2078","0.0006","14.5078","0.0009","90","","105.801","0.002","90","","1480.83","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H48 N2 O2 -","- C37 H48 N2 O2 -","- C74 H96 N4 O4 -","2","1","","Sviripa, Vitaliy M.; Fiandalo, Michael V.; Begley, Kristin L.; Wyrebek, Przemyslaw; Kril, Liliia M.; Balia, Andrii G.; Parkin, Sean R.; Subramanian, Vivekanandan; Chen, Xi; Williams, Alexander H.; Zhan, Chang-Guo; Liu, Chunming; Mohler, James L.; Watt, David S.","Pictet‒Spengler condensations using 4-(2-aminoethyl)coumarins","New Journal of Chemistry","2020","44","31","13415","13429","10.1039/D0NJ02664F","","","0.71073","MoKα","","0.0699","0.047","","","0.1063","0.1189","","","","","","1.033","","","","has coordinates,has disorder","257831","2020-10-21","18:00:00",""
"7059798","10.9189","0.001","31.935","0.002","12.9477","0.0015","90","","103.968","0.01","90","","4381.3","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4.68 H3.51 Cl0.1 Cu0.1 N0.39 O0.39 P0.2 -","- C4.68293 H3.5122 Cl0.097561 Cu0.097561 N0.390244 O0.390244 P0.195122 -","- C192 H144 Cl4 Cu4 N16 O16 P8 -","41","10.25","","Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua","Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study","New Journal of Chemistry","2020","44","31","13393","13400","10.1039/C9NJ05887G","","","1.54178","CuKα","","0.1481","0.0834","","","0.2287","0.262","","","","","","1.045","","","","has coordinates,has disorder","257832","2020-10-21","18:00:00",""
"7059799","11.0935","0.0009","12.6712","0.0012","16.926","0.0012","90.048","0.007","101.514","0.006","100.446","0.007","2291","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cl Cu N2 O7 P2 -","- C48 H44 Cl Cu N2 O7 P2 -","- C96 H88 Cl2 Cu2 N4 O14 P4 -","2","1","","Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua","Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study","New Journal of Chemistry","2020","44","31","13393","13400","10.1039/C9NJ05887G","","","1.54178","CuKα","","0.1273","0.0686","","","0.1477","0.1836","","","","","","0.992","","","","has coordinates","257832","2020-10-21","18:00:00",""
"7059800","25.2095","0.0006","11.1731","0.0003","31.1132","0.0007","90","","90.061","0.002","90","","8763.6","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl Cu N4 O5 P2 -","- C48 H34 Cl Cu N4 O5 P2 -","- C384 H272 Cl8 Cu8 N32 O40 P16 -","8","1","","Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua","Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study","New Journal of Chemistry","2020","44","31","13393","13400","10.1039/C9NJ05887G","","","1.54178","CuKα","","0.1061","0.0859","","","0.2555","0.2785","","","","","","1.03","","","","has coordinates,has disorder","257832","2020-10-21","18:00:00",""
"7059801","16.8448","0.0018","18.457","0.002","25.85","0.003","96.15","0.005","102.186","0.005","99.661","0.005","7659.2","1.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C204 H182 Cl8 F24 N8 O40 Rh8 S8 -","- C204 H182 Cl8 F24 N8 O40 Rh8 S8 -","- C204 H182 Cl8 F24 N8 O40 Rh8 S8 -","1","0.5","","Yu, Wei-Bin; Qiu, Feng-Yi; Xin, Zhi-Feng; Sun, Po","Hydrophobicity controls guest uptake in Rh8 metallacages","New Journal of Chemistry","2020","44","33","14075","14081","10.1039/D0NJ02529A","","","1.34138","GaKα","","0.1765","0.1288","","","0.259","0.2886","","","","","","1.027","","","","has coordinates","257702","2020-10-21","18:00:00",""
"7059802","9.7786","0.0003","16.9721","0.0004","14.4712","0.0004","90","","104.582","0.003","90","","2324.33","0.11","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[2-(3-pyridinium)-2'-(2-hydroxynaphthyl)-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)] hexamolybdate dihydrate","","- C36 H36 Mo6 N10 O25 -","- C36 H36 Mo6 N10 O25 -","- C72 H72 Mo12 N20 O50 -","2","0.5","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.0468","0.0319","","","0.0661","0.0729","","","","","","1.036","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059803","20.1878","0.001","6.1088","0.0003","23.5694","0.0013","90","","90","","90","","2906.7","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C112 H104 N40 O16 -","8","2","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.1194","0.0638","","","0.088","0.1016","","","","","","1.046","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059804","9.1525","0.0005","17.7564","0.0007","13.2831","0.0009","90","","106.419","0.007","90","","2070.7","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[2-(4-pyridinium)-2'-(2-hydroxyphenyl)-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)] hexamolybdate","","- C28 H28 Mo6 N10 O23 -","- C28 H28 Mo6 N10 O23 -","- C56 H56 Mo12 N20 O46 -","2","0.5","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.0629","0.0393","","","0.0737","0.0839","","","","","","1.056","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059805","6.3767","0.0006","7.7407","0.0007","30.099","0.003","90","","93.079","0.008","90","","1483.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea hydrate","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.216","0.0716","","","0.0967","0.132","","","","","","0.968","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059806","9.2562","0.0009","12.8021","0.0009","30.334","0.003","90","","95.858","0.009","90","","3575.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(E)-[(1-hydroxynapthalen-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea hemimethanol solvate","","- C37 H34 N10 O5 -","- C37 H34 N10 O5 -","- C148 H136 N40 O20 -","4","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.2451","0.0789","","","0.1524","0.2161","","","","","","0.915","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059807","8.4843","0.0007","12.7276","0.0008","31.583","0.002","90","","92.519","0.007","90","","3407.2","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(E)-[(1-hydroxynapthalen-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea hemihydrate","","- C36 H32 N10 O5 -","- C36 H32 N10 O5 -","- C144 H128 N40 O20 -","4","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.1462","0.0654","","","0.0964","0.1219","","","","","","0.983","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059808","45.012","0.007","11.4125","0.0005","21.787","0.004","90","","134.52","0.03","90","","7980","5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(mu-N''-(2-oxynaphthylidene)-N'''-(3-pyridinium)carbonohydrazido)(N-acetonitrile)-dioxomolybdenum(vi) hexamolybdate acetonitrile solvate","","- C24 H24 Mo7 N8 O23 -","- C24 H24 Mo7 N8 O23 -","- C192 H192 Mo56 N64 O184 -","8","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.1178","0.0717","","","0.1088","0.1216","","","","","","1.103","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059809","7.7355","0.0005","9.1187","0.0005","9.7039","0.0005","93.758","0.005","93.79","0.005","92.877","0.005","680.5","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C28 H26 N10 O4 -","2","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.1506","0.0625","","","0.1273","0.1634","","","","","","1.012","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059810","11.3525","0.0009","13.6312","0.0008","12.5586","0.0008","90","","116.102","0.009","90","","1745.2","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis((mu-N''-(2-oxybenzylidene)-N'''-(3-pyridyl)carbonohydrazido))-tetraoxo-di-molybdenum(vi) acetonitrile solvate","","- C32 H28 Mo2 N12 O8 -","- C32 H28 Mo2 N12 O8 -","- C64 H56 Mo4 N24 O16 -","2","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.1846","0.0793","","","0.0857","0.1123","","","","","","0.954","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059811","7.7443","0.0003","19.3301","0.0006","11.377","0.0003","90","","91.632","0.003","90","","1702.42","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(mu-N''-(2-oxybenzylidene)-N'''-(3-pyridyl)carbonohydrazido)(O-methanol)-dioxomolybdenum(vi)","","- C15 H15 Mo N5 O5 -","- C15 H15 Mo N5 O5 -","- C60 H60 Mo4 N20 O20 -","4","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.092","0.0458","","","0.0846","0.0983","","","","","","0.994","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059812","9.3887","0.0003","17.2816","0.0005","14.7114","0.0006","90","","105.236","0.004","90","","2303.05","0.14","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[2-(4-pyridinium)-2'-(2-hydroxynaphthyl)-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)] hexamolybdate","","- C36 H32 Mo6 N10 O23 -","- C36 H32 Mo6 N10 O23 -","- C72 H64 Mo12 N20 O46 -","2","0.5","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.092","0.0476","","","0.0852","0.1005","","","","","","1.042","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059813","11.1124","0.0005","5.2113","0.0002","13.3792","0.0006","90","","93.648","0.002","90","","773.22","0.06","273.15","","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-hydroxy-1,4-bis(4-methoxyphenyl)butan-1-one","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Jiménez-Cruz, Juan C.; Guzmán-Mejía, Ramón; Juaristi, Eusebio; Sánchez-Antonio, Omar; García-Revilla, Marco A.; González-Campos, J. Betzabe; Aviña-Verduzco, Judit","Preparation of aromatic γ-hydroxyketones by means of Heck coupling of aryl halides and 2,3-dihydrofuran, catalyzed by a palladium(ii) glycine complex under microwave irradiation","New Journal of Chemistry","2020","44","31","13382","13392","10.1039/D0NJ02630A","","x-ray","1.54178","CuKα","","0.0584","0.0511","","","0.1337","0.1434","","","","","","1.069","","","","has coordinates","257830","2020-10-21","18:00:00",""
"7059814","9.0537","0.0003","12.166","0.0004","5.4933","0.0002","90","","96.599","0.001","90","","601.06","0.04","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","GliPdCl2","Trans-dichlorobis(2-methoxy-2-oxoethyl)azanidepalladium(II)","","- C6 H14 Cl2 N2 O4 Pd -","- C6 H14 Cl2 N2 O4 Pd -","- C12 H28 Cl4 N4 O8 Pd2 -","2","0.5","","Jiménez-Cruz, Juan C.; Guzmán-Mejía, Ramón; Juaristi, Eusebio; Sánchez-Antonio, Omar; García-Revilla, Marco A.; González-Campos, J. Betzabe; Aviña-Verduzco, Judit","Preparation of aromatic γ-hydroxyketones by means of Heck coupling of aryl halides and 2,3-dihydrofuran, catalyzed by a palladium(ii) glycine complex under microwave irradiation","New Journal of Chemistry","2020","44","31","13382","13392","10.1039/D0NJ02630A","","","0.71073","MoKα","","0.0309","0.0247","","","0.0505","0.0532","","","","","","1.121","","","","has coordinates","257830","2020-10-21","18:00:00",""
"7059815","14.53519","0.00015","11.48172","0.00011","8.90846","0.00008","90","","99.0238","0.0009","90","","1468.32","0.02","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Dy N O12 -","- C10 H14 Dy N O12 -","- C40 H56 Dy4 N4 O48 -","4","1","","Černák, Juraj; Harčárová, Katarína; Falvello, Larry R.; Dlháň, Ľubor; Titiš, Ján; Boča, Roman","Field induced slow magnetic relaxation in a zig-zag chain-like Dy(iii) complex with the ligand o-phenylenedioxydiacetato","New Journal of Chemistry","2020","44","31","13458","13465","10.1039/D0NJ02276D","","x-ray","0.71073","MoKα","","0.0194","0.0179","","","0.0435","0.044","","","","","","1.079","","","","has coordinates","257833","2020-10-21","18:00:00",""
"7059816","17.0815","0.0005","14.5577","0.0004","25.658","0.0007","90","","92.869","0.007","90","","6372.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H55 Cl3 Cu3 N12 O16 -","- C64 H55 Cl3 Cu3 N12 O16 -","- C256 H220 Cl12 Cu12 N48 O64 -","4","1","","Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Anion-templated assembly of multinuclear copper(ii)‒triazole complexes","New Journal of Chemistry","2020","44","32","13764","13770","10.1039/D0NJ02832K","","","0.4128","synchrotron","","0.061","0.0442","","","0.1064","0.1147","","","","","","1.022","","","","has coordinates,has disorder","257684","2020-10-21","18:00:00",""
"7059817","23.36997","0.00013","23.36997","0.00013","23.36997","0.00013","90","","90","","90","","12763.6","0.12","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C126 H102 Cu6 F18 N24 O6 Si3 -","- C126 H102 Cu6 F18 N24 O6 Si3 -","- C504 H408 Cu24 F72 N96 O24 Si12 -","4","0.166667","","Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Anion-templated assembly of multinuclear copper(ii)‒triazole complexes","New Journal of Chemistry","2020","44","32","13764","13770","10.1039/D0NJ02832K","","x-ray","0.4115","synchrotron","","0.07","0.046","","","0.0985","0.105","","","","","","1.053","","","","has coordinates","257684","2020-10-21","18:00:00",""
"7059818","11.3758","0.0008","20.6667","0.0011","18.5033","0.001","90","","95.408","0.006","90","","4330.8","0.5","132","4","132","4","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H120 Cl3 Cu8 Er N16 O43 -","- C33 H120 Cl3 Cu8 Er N16 O43 -","- C66 H240 Cl6 Cu16 Er2 N32 O86 -","2","1","","Chang, Wen-Wen; Yang, Hua; Tian, Hai-Quan; Li, Da-Cheng; Dou, Jian-Min","3d‒4f Metallacrown complexes with a new sandwich core: synthesis, structures and single molecule magnet behavior","New Journal of Chemistry","2020","44","33","14145","14150","10.1039/D0NJ00292E","","","1.54178","CuKα","","0.1326","0.1126","","","0.3232","0.3464","","","","","","1.28","","","","has coordinates,has disorder","257703","2020-10-21","18:00:00",""
"7059819","11.3776","0.0003","20.663","0.0006","18.5","0.0005","90","","95.659","0.003","90","","4328.1","0.2","130","11","130","11","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H120 Cl3 Cu8 N16 O43 Yb -","- C33 H120 Cl3 Cu8 N16 O43 Yb -","- C66 H240 Cl6 Cu16 N32 O86 Yb2 -","2","1","","Chang, Wen-Wen; Yang, Hua; Tian, Hai-Quan; Li, Da-Cheng; Dou, Jian-Min","3d‒4f Metallacrown complexes with a new sandwich core: synthesis, structures and single molecule magnet behavior","New Journal of Chemistry","2020","44","33","14145","14150","10.1039/D0NJ00292E","","","1.54178","CuKα","","0.1218","0.1161","","","0.2948","0.3049","","","","","","1.397","","","","has coordinates,has disorder","257703","2020-10-21","18:00:00",""
"7059820","4.893","0.001","10.17","0.002","18.638","0.004","90","","91.05","0.03","90","","927.3","0.3","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N6 -","- C20 H28 N6 -","- C40 H56 N12 -","2","0.5","","Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi","Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor‒acceptor derivatives","New Journal of Chemistry","2020","44","34","14421","14428","10.1039/D0NJ02560G","","","0.63","synchrotron","","0.0542","0.0492","","","0.1444","0.1481","","","","","","1.107","","","","has coordinates","257879","2020-10-21","18:00:00",""
"7059821","7.075","0.0014","7.303","0.0015","14.865","0.003","90","","96.04","0.03","90","","763.8","0.3","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","","Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi","Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor‒acceptor derivatives","New Journal of Chemistry","2020","44","34","14421","14428","10.1039/D0NJ02560G","","","0.63","synchrotron","","0.0501","0.0465","","","0.1369","0.1418","","","","","","1.072","","","","has coordinates","257879","2020-10-21","18:00:00",""
"7059822","7.18","0.0014","14.821","0.003","19.057","0.004","90","","98.31","0.03","90","","2006.7","0.7","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 F6 N4 O2 P -","- C18 H23 F6 N4 O2 P -","- C72 H92 F24 N16 O8 P4 -","4","1","","Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi","Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor‒acceptor derivatives","New Journal of Chemistry","2020","44","34","14421","14428","10.1039/D0NJ02560G","","","0.63","synchrotron","","0.151","0.1179","","","0.3022","0.3195","","","","","","1.059","","","","has coordinates","257879","2020-10-21","18:00:00",""
"7059823","14.798","0.003","15.401","0.003","16.328","0.003","107.44","0.03","116","0.03","91.19","0.03","3140.2","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 Cu3 N10 O7 -","- C70 H74 Cu3 N10 O7 -","- C140 H148 Cu6 N20 O14 -","2","1","","Bacher, Felix; Isaac, James A.; Philouze, Christian; Flot, David; Thibon-Pourret, Aurore; Belle, Catherine","Synthesis of unsymmetrical 1,8-naphthyridine-based ligands for the assembly of tri-and tetra-nuclear copper(ii) complexes","New Journal of Chemistry","2020","44","39","16713","16720","10.1039/D0NJ02776F","","x-ray","0.729","synchrotron","","0.1766","0.1296","","","0.3859","0.4096","","","","","","1.375","","","","has coordinates,has disorder","258908","2020-11-06","12:45:22",""
"7059824","22.475","0.005","12.394","0.003","22.723","0.005","90","","91.06","0.03","90","","6329","3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Cu4 F6 N12 O14 S2 -","- C62 H54 Cu4 F6 N12 O14 S2 -","- C248 H216 Cu16 F24 N48 O56 S8 -","4","0.5","","Bacher, Felix; Isaac, James A.; Philouze, Christian; Flot, David; Thibon-Pourret, Aurore; Belle, Catherine","Synthesis of unsymmetrical 1,8-naphthyridine-based ligands for the assembly of tri-and tetra-nuclear copper(ii) complexes","New Journal of Chemistry","2020","44","39","16713","16720","10.1039/D0NJ02776F","","x-ray","0.71073","MoKα","","0.0817","0.056","","","0.1249","0.1401","","","","","","1.087","","","","has coordinates,has disorder","258908","2020-11-06","12:45:23",""
"7059825","22.949","0.005","11.893","0.002","22.443","0.005","90","","90.65","0.03","90","","6125","2","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H46 Cu4 F6 N12 O12 S2 -","- C60 H46 Cu4 F6 N12 O12 S2 -","- C240 H184 Cu16 F24 N48 O48 S8 -","4","0.5","","Bacher, Felix; Isaac, James A.; Philouze, Christian; Flot, David; Thibon-Pourret, Aurore; Belle, Catherine","Synthesis of unsymmetrical 1,8-naphthyridine-based ligands for the assembly of tri-and tetra-nuclear copper(ii) complexes","New Journal of Chemistry","2020","44","39","16713","16720","10.1039/D0NJ02776F","","x-ray","0.71073","MoKα","","0.0556","0.0422","","","0.1083","0.1192","","","","","","1.111","","","","has coordinates,has disorder","258908","2020-11-06","12:45:23",""
"7059826","13.1174","0.0016","21.497","0.003","18.729","0.003","90","","90.249","0.006","90","","5281.2","1.3","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H148 Cl4 O8 S4 -","- C106 H148 Cl4 O8 S4 -","- C212 H296 Cl8 O16 S8 -","2","1","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","1.54178","CuKα","","0.0604","0.0582","","0.1448","0.1417","0.1448","","","","","","1.0098","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059827","12.5461","0.0007","14.8294","0.0007","13.8774","0.0008","90","","100.353","0.002","90","","2539.9","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 O4 S2 -","- C50 H68 Cl4 O4 S2 -","- C100 H136 Cl8 O8 S4 -","2","0.5","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","0.71073","MoKα","","0.0611","0.0518","","0.1283","0.1159","0.1283","","","","","","0.939","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059828","13.1733","0.0013","13.5456","0.0012","19.6259","0.0017","73.045","0.002","86.981","0.003","62.585","0.003","2959.9","0.5","180","","180","","","","","","","","","5","P 1","P 1","1","","","","- C63 H82 Cl2 O4 S2 -","- C63 H82.0015 Cl2 O4 S2 -","- C126 H164.003 Cl4 O8 S4 -","2","2","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","0.71073","MoKα","","0.063","0.0439","","0.1068","0.0956","0.1057","","","","","","1.0035","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059829","33.6924","0.001","13.3613","0.0004","35.6078","0.0011","90","","114.305","0.001","90","","14609","0.8","180","","180","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48.67 H65.33 Cl1.33 O4 S2 -","- C48.6667 H65.3333 Cl1.33333 O4 S2 -","- C584 H784 Cl16 O48 S24 -","12","3","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","1.5418","CuKα","","0.0471","0.0443","","0.1223","0.12","0.1223","","","","","","0.9643","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059830","12.4732","0.0005","17.7256","0.0007","23.1634","0.001","90","","90","","90","","5121.3","0.4","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cd4 N14 O16 -","- C42 H54 Cd4 N14 O16 -","- C168 H216 Cd16 N56 O64 -","4","0.5","","Ghosh, Tanmoy Kumar; Jana, Sumanta; Jana, Subrata; Ghosh, Ashutosh","Tetra- and poly-nuclear Cd(ii) complexes of an N3O4 Schiff base ligand: crystal structures, electrical conductivity and photoswitching properties","New Journal of Chemistry","2020","44","34","14733","14743","10.1039/D0NJ03325A","","","0.71073","MoKα","","0.0355","0.0293","","","0.0726","0.0765","","","","","","1.289","","","","has coordinates","257877","2020-10-21","18:00:00",""
"7059831","10.57","0.002","17.255","0.004","17.545","0.004","72.062","0.003","72.882","0.003","72.85","0.003","2835.2","1.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H29 Cd2 N3 O8.5 -","- C28.5 H29 Cd2 N3 O8.5 -","- C114 H116 Cd8 N12 O34 -","4","2","","Ghosh, Tanmoy Kumar; Jana, Sumanta; Jana, Subrata; Ghosh, Ashutosh","Tetra- and poly-nuclear Cd(ii) complexes of an N3O4 Schiff base ligand: crystal structures, electrical conductivity and photoswitching properties","New Journal of Chemistry","2020","44","34","14733","14743","10.1039/D0NJ03325A","","","0.71073","MoKα","","0.0566","0.0396","","","0.1091","0.1211","","","","","","1.011","","","","has coordinates,has disorder","257877","2020-10-21","18:00:00",""
"7059832","11.2513","0.0003","15.5659","0.0004","29.1361","0.0008","90","","100.708","0.001","90","","5013.9","0.2","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H130 Co2 N8 Na2 O14 S4 -","- C94 H130 Co2 N8 Na2 O14 S4 -","- C188 H260 Co4 N16 Na4 O28 S8 -","2","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.0629","0.0536","","","0.122","0.1273","","","","","","1.147","","","","has coordinates","258925","2020-11-06","12:48:58",""
"7059833","14.3365","0.0003","14.3483","0.0004","15.5549","0.0004","83.193","0.001","70.741","0.001","68.091","0.001","2802.45","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H150 Co2 Cs2 N8 O20 S4 -","- C98 H150 Co2 Cs2 N8 O20 S4 -","- C98 H150 Co2 Cs2 N8 O20 S4 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.0896","0.0673","","","0.1333","0.1464","","","","","","1.041","","","","has coordinates,has disorder","258925","2020-11-06","12:48:59",""
"7059834","14.0537","0.0003","14.4047","0.0002","15.4849","0.0003","83.385","0.001","70.121","0.001","68.089","0.001","2734.77","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H130 Co2 K2 N8 O16 S4 -","- C92 H130 Co2 K2 N8 O16 S4 -","- C92 H130 Co2 K2 N8 O16 S4 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.0672","0.0592","","","0.1496","0.156","","","","","","1.107","","","","has coordinates,has disorder","258925","2020-11-06","12:48:59",""
"7059835","14.6152","0.0004","14.7527","0.0004","15.6217","0.0005","71.507","0.001","82.66","0.002","64.815","0.001","2890.56","0.15","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H124 Co2 N8 Na2 O14 S4 -","- C92 H124 Co2 N8 Na2 O14 S4 -","- C92 H124 Co2 N8 Na2 O14 S4 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.12","0.0901","","","0.218","0.2397","","","","","","1.039","","","","has coordinates,has disorder","258925","2020-11-06","12:48:59",""
"7059836","8.5233","0.0009","22.329","0.003","12.334","0.0012","90","","106.201","0.004","90","","2254.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[2-(3-Phenyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one","","- C27 H18 Cl N3 O2 S -","- C27 H18 Cl N3 O2 S -","- C108 H72 Cl4 N12 O8 S4 -","4","1","","Madni, Murtaza; Ahmed, Muhammad Naeem; Hafeez, Muhammad; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Galmés, Bartomeu; Hameed, Shahid; Frontera, Antonio","Recurrent π‒π stacking motifs in three new 4,5-dihydropyrazolyl‒thiazole‒coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","34","14592","14603","10.1039/D0NJ02931A","","","0.71073","MoKα","","0.1126","0.0514","","","0.1055","0.1274","","","","","","1","","","","has coordinates","257885","2020-10-21","18:00:00",""
"7059837","10.287","0.001","10.938","0.002","11.3049","0.001","97.749","0.005","100.075","0.004","101.222","0.005","1209.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","3-[2-(3-(4-Chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-1,3 -thiazol-4-yl]-2H-1-benzopyran-2-one","","- C28 H20 Cl N3 O2 S -","- C28 H20 Cl N3 O2 S -","- C56 H40 Cl2 N6 O4 S2 -","2","1","","Madni, Murtaza; Ahmed, Muhammad Naeem; Hafeez, Muhammad; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Galmés, Bartomeu; Hameed, Shahid; Frontera, Antonio","Recurrent π‒π stacking motifs in three new 4,5-dihydropyrazolyl‒thiazole‒coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","34","14592","14603","10.1039/D0NJ02931A","","","0.71073","MoKα","","0.1275","0.0527","","","0.1156","0.1447","","","","","","1.013","","","","has coordinates","257885","2020-10-21","18:00:00",""
"7059838","8.674","0.0006","11.8234","0.0008","12.407","0.0007","71.363","0.002","73.094","0.003","82.97","0.003","1152.98","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","3-[2-(3,5-Di(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-2H -1-benzopyran-2-one","","- C27 H17 Cl2 N3 O2 S -","- C27 H17 Cl2 N3 O2 S -","- C54 H34 Cl4 N6 O4 S2 -","2","1","","Madni, Murtaza; Ahmed, Muhammad Naeem; Hafeez, Muhammad; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Galmés, Bartomeu; Hameed, Shahid; Frontera, Antonio","Recurrent π‒π stacking motifs in three new 4,5-dihydropyrazolyl‒thiazole‒coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","34","14592","14603","10.1039/D0NJ02931A","","","0.71073","MoKα","","0.0483","0.0392","","","0.101","0.1074","","","","","","1.045","","","","has coordinates","257885","2020-10-21","18:00:00",""
"7059839","9.4322","0.0019","12.154","0.002","13.144","0.003","87.26","0.03","80.96","0.03","82.24","0.03","1473.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br3 I4 O3 Sb -","- C21 H18 Br3 I4 O3 Sb -","- C42 H36 Br6 I8 O6 Sb2 -","2","1","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.0539","0.0357","","","0.0844","0.0945","","","","","","1.018","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059840","15.213","0.003","15.643","0.003","9.2291","0.0018","90","","93.34","0.03","90","","2192.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 I2 Sb -","- C21 H21 I2 Sb -","- C84 H84 I8 Sb4 -","4","1","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.0418","0.0329","","","0.0657","0.0723","","","","","","1.176","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059841","8.669","0.0017","9.4881","0.0019","13.136","0.003","85.17","0.03","84.75","0.03","73.62","0.03","1030.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F3 I2 Sb -","- C18 H12 F3 I2 Sb -","- C36 H24 F6 I4 Sb2 -","2","1","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.056","0.0388","","","0.1221","0.1544","","","","","","1.105","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059842","13.0818","0.0015","13.0818","0.0015","13.0818","0.0015","90","","90","","90","","2238.7","0.4","293","2","293","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C21 H21 Br0.6 I1.4 Sb -","- C21 H21 Br0.6 I1.4 Sb -","- C84 H84 Br2.4 I5.6 Sb4 -","4","0.166667","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.0285","0.0259","","","0.0622","0.0647","","","","","","1.164","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059843","16.1767","0.0009","8.7841","0.0005","21.7797","0.0012","90","","90","","90","","3094.8","0.3","293.15","","293.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H21 B F16 I2 N2 O2 -","- C24 H21 B F16 I2 N2 O2 -","- C96 H84 B4 F64 I8 N8 O8 -","4","1","","Maity, Apurba; Sarkar, Anirban; Bhaktha B. N, Shivakiran; Patra, Sanjib K.","Design and synthesis of perfluoroalkyl decorated BODIPY dye for random laser action in a microfluidic device","New Journal of Chemistry","2020","44","34","14650","14661","10.1039/D0NJ03108A","","x-ray","0.71073","MoKα","","0.0544","0.0478","","","0.1024","0.1054","","","","","","1.059","","","","has coordinates,has disorder","257883","2020-10-21","18:00:00",""
"7059844","12.1085","0.001","13.8332","0.0011","13.987","0.0011","119.059","0.002","101.268","0.002","94.837","0.002","1964","0.3","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 B F16 N2 O2 -","- C40 H31 B F16 N2 O2 -","- C80 H62 B2 F32 N4 O4 -","2","1","","Maity, Apurba; Sarkar, Anirban; Bhaktha B. N, Shivakiran; Patra, Sanjib K.","Design and synthesis of perfluoroalkyl decorated BODIPY dye for random laser action in a microfluidic device","New Journal of Chemistry","2020","44","34","14650","14661","10.1039/D0NJ03108A","","","0.71073","MoKα","","0.0755","0.055","","","0.138","0.1486","","","","","","1.0472","","","","has coordinates","257883","2020-10-21","18:00:00",""
"7059846","13.235","0.006","17.92","0.006","21.486","0.008","90","","100.161","0.017","90","","5016","3","151","2","150.73","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Mn3 N4 O16 -","- C48 H46 Mn3 N4 O16 -","- C192 H184 Mn12 N16 O64 -","4","0.5","","Bej, Sourav; Hazra, Abhijit; Das, Riyanka; Saha, Sourav Kr.; Corbella, Montserrat; Banerjee, Priyabrata","Exploratory studies of a multidimensionally talented simple MnII-based porous network: selective “turn-on” recognition @ cysteine over homocysteine with an indication of cystinuria and renal dysfunction","New Journal of Chemistry","2020","44","34","14712","14722","10.1039/D0NJ02265A","","","0.71073","MoKα","","0.1089","0.0799","","","0.2192","0.2588","","","","","","1.027","","","","has coordinates,has disorder","257880","2020-10-21","18:00:00",""
"7059847","9.9277","0.0008","10.5377","0.0006","15.22","0.002","73.411","0.009","81.291","0.009","89.961","0.006","1506.9","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H32 O6 -","- C38 H32 O6 -","- C76 H64 O12 -","2","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","0.71073","MoKα","","0.1019","0.0535","","","0.1289","0.1398","","","","","","0.99","","","","has coordinates","257876","2020-10-21","18:00:00",""
"7059848","13.5128","0.0002","5.73808","0.00008","26.7156","0.0005","90","","101.716","0.0016","90","","2028.31","0.06","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","1.54184","CuKα","","0.0398","0.0371","","","0.0941","0.0969","","","","","","1.049","","","","has coordinates","257876","2020-10-21","18:00:00",""
"7059849","20.9397","0.001","5.4322","0.0002","19.3737","0.0011","90","","99.981","0.005","90","","2170.38","0.18","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","0.71073","MoKα","","0.0725","0.0466","","","0.1011","0.1147","","","","","","1.063","","","","has coordinates","257876","2020-10-21","18:00:00",""
"7059850","20.7429","0.0009","19.0061","0.0005","11.4935","0.0002","90","","96.22","0.003","90","","4504.5","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 O8 -","- C56 H44 O8 -","- C224 H176 O32 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","1.54184","CuKα","","0.1024","0.0653","","","0.1615","0.1877","","","","","","1.013","","","","has coordinates,has disorder","257876","2020-10-21","18:00:00",""
"7059851","7.4776","0.0001","10.6395","0.0001","14.0595","0.0002","90","","97.829","0.001","90","","1108.12","0.02","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","1.54184","CuKα","","0.0526","0.0512","","","0.1288","0.1302","","","","","","1.163","","","","has coordinates","257876","2020-10-21","18:00:00",""
"7059852","14.302","0.004","15.362","0.005","27.872","0.009","74.68","0.03","84.79","0.03","66.28","0.03","5406","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C131.2 H108.8 K N5 O13 Zn3 -","- C131.2 H108.8 K N5 O13 Zn3 -","- C262.4 H217.6 K2 N10 O26 Zn6 -","2","1","","Petrus, Rafał; Utko, Józef; Sobota, Piotr","Structural analysis and catalytic activity of tetranuclear metal carboxylate clusters with a [KZn3(μ3-OH)(OOCCPh3)6] or [Zn4(μ4-O)(OOCCPh3)6] central motif","New Journal of Chemistry","2020","44","32","13771","13780","10.1039/D0NJ02540B","","","0.71073","MoKα","","0.0477","0.0394","","","0.1139","0.1171","","","","","","1.103","","","","has coordinates,has disorder","257683","2020-10-21","18:00:00",""
"7059853","14.301","0.004","15.348","0.004","27.869","0.008","74.64","0.03","84.79","0.03","66.31","0.03","5401","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.42 H107.6 K0.92 N4.58 O13 Zn3.08 -","- C130.42 H107.601 K0.9208 N4.58 O13 Zn3.0792 -","- C260.84 H215.202 K1.8416 N9.16 O26 Zn6.1584 -","2","1","","Petrus, Rafał; Utko, Józef; Sobota, Piotr","Structural analysis and catalytic activity of tetranuclear metal carboxylate clusters with a [KZn3(μ3-OH)(OOCCPh3)6] or [Zn4(μ4-O)(OOCCPh3)6] central motif","New Journal of Chemistry","2020","44","32","13771","13780","10.1039/D0NJ02540B","","","0.71073","MoKα","","0.0515","0.0404","","","0.1046","0.1112","","","","","","1.037","","","","has coordinates,has disorder","257683","2020-10-21","18:00:00",""
"7059854","13.61","0.003","15.338","0.004","29.649","0.008","92.1","0.03","97.87","0.03","112.25","0.03","5648","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H111 N7 O13 Zn4 -","- C134 H111 N7 O13 Zn4 -","- C268 H222 N14 O26 Zn8 -","2","1","","Petrus, Rafał; Utko, Józef; Sobota, Piotr","Structural analysis and catalytic activity of tetranuclear metal carboxylate clusters with a [KZn3(μ3-OH)(OOCCPh3)6] or [Zn4(μ4-O)(OOCCPh3)6] central motif","New Journal of Chemistry","2020","44","32","13771","13780","10.1039/D0NJ02540B","","","0.71073","MoKα","","0.0998","0.0539","","","0.1167","0.1279","","","","","","0.927","","","","has coordinates,has disorder","257683","2020-10-21","18:00:00",""
"7059855","8.9801","0.0011","10.0922","0.0012","14.8274","0.0019","90","","90","","90","","1343.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H22 B9 N S -","- C6 H22 B9 N S -","- C24 H88 B36 N4 S4 -","4","1","","Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11","New Journal of Chemistry","2020","44","33","13934","13938","10.1039/D0NJ03212C","","","0.71073","MoKα","","0.0913","0.0547","","","0.1162","0.1321","","","","","","0.991","","","","has coordinates","257701","2020-10-21","18:00:00",""
"7059856","8.7839","0.0006","24.7066","0.0016","12.4515","0.0008","90","","98.531","0.001","90","","2672.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 B9 Cl3 N O5 S2 W -","- C13 H25 B9 Cl3 N O5 S2 W -","- C52 H100 B36 Cl12 N4 O20 S8 W4 -","4","1","","Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11","New Journal of Chemistry","2020","44","33","13934","13938","10.1039/D0NJ03212C","","","0.71073","MoKα","","0.055","0.042","","","0.0969","0.1021","","","","","","1.178","","","","has coordinates","257701","2020-10-21","18:00:00",""
"7059857","9.2287","0.0009","12.889","0.0012","17.9254","0.0017","90","","99.325","0.002","90","","2104","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 B9 N O4 S2 W -","- C11 H24 B9 N O4 S2 W -","- C44 H96 B36 N4 O16 S8 W4 -","4","1","","Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11","New Journal of Chemistry","2020","44","33","13934","13938","10.1039/D0NJ03212C","","","0.71073","MoKα","","0.0207","0.0191","","","0.0487","0.0496","","","","","","1.073","","","","has coordinates","257701","2020-10-21","18:00:00",""
"7059858","17.7048","0.0006","17.7048","0.0006","31.8231","0.0011","90","","90","","120","","8638.8","0.5","100","2","99.99","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H8 F12 N2 -","- C19 H8 F12 N2 -","- C342 H144 F216 N36 -","18","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.0342","0.0332","","","0.0889","0.09","","","","","","1.041","","","","has coordinates","258934","2020-11-06","12:50:36",""
"7059859","8.6941","0.0005","15.8573","0.0008","26.1433","0.0013","89.287","0.002","85.728","0.002","87.428","0.002","3590.5","0.3","299","2","299.06","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H23 Ag3 Cl2 F36 N6 -","- C58 H23 Ag3 Cl2 F36 N6 -","- C116 H46 Ag6 Cl4 F72 N12 -","2","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.0923","0.0615","","","0.1723","0.1945","","","","","","1.029","","","","has coordinates,has disorder","258934","2020-11-06","12:50:37",""
"7059860","8.3667","0.0005","31.7232","0.0019","25.7197","0.0015","90","","91.507","0.002","90","","6824.1","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H21 Au3 F36 N6 -","- C57 H21 Au3 F36 N6 -","- C228 H84 Au12 F144 N24 -","4","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.0412","0.0317","","","0.0664","0.0702","","","","","","1.069","","","","has coordinates,has disorder","258934","2020-11-06","12:50:37",""
"7059861","8.4054","0.001","19.555","0.002","21.674","0.002","107.382","0.002","91.6","0.002","98.226","0.002","3355.4","0.6","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H33 Cu3 F36 N6 -","- C67.5 H33 Cu3 F36 N6 -","- C135 H66 Cu6 F72 N12 -","2","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.1105","0.0864","","","0.2395","0.2592","","","","","","1.086","","","","has coordinates,has disorder","258934","2020-11-06","12:50:37",""
"7059862","10.1117","0.0005","18.9112","0.0006","10.1323","0.0005","90","","117.599","0.006","90","","1717.07","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B F2 O3 S -","- C20 H13 B F2 O3 S -","- C80 H52 B4 F8 O12 S4 -","4","1","","Paez, Elida Betania Ariza; Curcio, Sergio; Neme, Natália P.; Matos, Matheus J. S.; Correa, Rodrigo S.; Pereira, Fabio Junio; Hilário, Flaviane Francisco; Cazati, Thiago; Taylor, Jason Guy","Synthesis, photophysical and electrochemical properties of novel and highly fluorescent difluoroboron flavanone β-diketonate complexes","New Journal of Chemistry","2020","44","34","14615","14631","10.1039/D0NJ03525D","","x-ray","1.54184","CuKα","","0.0868","0.0689","","","0.1871","0.219","","","","","","1.095","","","","has coordinates,has disorder","257882","2020-10-21","18:00:00",""
"7059869","10.7417","0.0012","14.0648","0.0017","20.075","0.002","88.855","0.005","81.308","0.005","67.828","0.005","2774.1","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Cl2 Cu N10 O8 -","- C54 H42 Cl2 Cu N10 O8 -","- C108 H84 Cl4 Cu2 N20 O16 -","2","1","","Hossain, Sayed Muktar; Dam, Gourab Kumar; Mishra, Sagarika; Singh, Akhilesh Kumar","A nano-molar level fluorogenic and oxidation state-selective chromogenic dual reversible chemosensor for multiple targets, Cu2+/S2− and Fe3+/F− ions","New Journal of Chemistry","2020","44","35","15186","15194","10.1039/D0NJ02777D","","","0.71073","MoKα","","0.0775","0.0476","","","0.1281","0.1541","","","","","","1.017","","","","has coordinates","258928","2020-11-06","12:49:24",""
"7059870","17.3291","0.0012","12.5871","0.0005","18.023","0.0013","90","","118.622","0.009","90","","3450.8","0.5","293","2","293","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N6 O5 Si -","- C34 H39 N6 O5 Si -","- C136 H156 N24 O20 Si4 -","4","1","","Singh, Gurjaspreet; Suman,; Satija, Pinky; Singh, Akshpreet; Shilpy,; González-Silvera, D.; Espinosa Ruiz, Cristobal; Esteban, M. Angeles; Sahoo, Subash Chandra","Synthesis and X-ray characterization of antipyrine-tethered organosilanes and their magnetic nanoparticles: potent anti-oxidants and receptors for Sn(ii) ions","New Journal of Chemistry","2020","44","35","15157","15168","10.1039/D0NJ03300F","","x-ray","0.71073","MoKα","","0.1505","0.0679","","","0.1908","0.2364","","","","","","1.041","","","","has coordinates,has disorder","258933","2020-11-06","12:50:24",""
"7059871","9.2988","0.0005","11.3887","0.0006","13.051","0.0007","108.067","0.001","99.645","0.001","110.902","0.002","1165.73","0.11","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Co N4 O14 -","- C56 H44 Co N4 O14 -","- C56 H44 Co N4 O14 -","1","0.5","","Han, Chao; Nie, Lei; Han, Xiao; Zhuang, Xiaoli; Zhang, Jingrui; Rui, Yulan; Meng, Wei","A good-performance glucose sensor fabricated via rationally designing a new cobalt‒metal‒organic framework precursor","New Journal of Chemistry","2020","44","35","14896","14905","10.1039/D0NJ03403G","","","0.71073","MoKα","","0.0408","0.0348","","","0.086","0.0894","","","","","","1.036","","","","has coordinates","258929","2020-11-06","12:49:32",""
"7059872","9.7871","0.0013","28.773","0.003","10.9288","0.0012","90","","105.459","0.011","90","","2966.3","0.6","293.02","0.1","293.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","2","","Shi, Yang; Wang, Gangqiang; Wang, Hang; Deng, Bin; Gao, Tao; Wang, Jian; Guo, Haibing; Wu, Minghu; Sun, Shaofa","Cu-catalyzed cyclization to construct indoles from N-(ortho-chloromethyl)aryl carbamates and terminal alkynes via a one-pot reaction","New Journal of Chemistry","2020","44","34","14477","14480","10.1039/D0NJ01981J","","x-ray","1.54184","CuKα","","0.1236","0.0941","","","0.3152","0.3292","","","","","","1.089","","","","has coordinates","257878","2020-10-21","18:00:00",""
"7059873","7.3932","0.0006","10.0477","0.001","11.2604","0.001","100.487","0.008","104.79","0.007","106.52","0.008","745.56","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C36 H32 Cl2 N2 O4 -","2","1","","Shi, Yang; Wang, Gangqiang; Wang, Hang; Deng, Bin; Gao, Tao; Wang, Jian; Guo, Haibing; Wu, Minghu; Sun, Shaofa","Cu-catalyzed cyclization to construct indoles from N-(ortho-chloromethyl)aryl carbamates and terminal alkynes via a one-pot reaction","New Journal of Chemistry","2020","44","34","14477","14480","10.1039/D0NJ01981J","","x-ray","0.71073","MoKα","","0.0383","0.0336","","","0.0803","0.084","","","","","","1.054","","","","has coordinates","257878","2020-10-21","18:00:00",""
"7059883","15.3224","0.0012","18.0088","0.0015","18.5733","0.0015","90","","101.353","0.002","90","","5024.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ag2 Mo24 N10 O90 Si2 -","- C36 H48 Ag2 Mo24 N10 O90 Si2 -","- C72 H96 Ag4 Mo48 N20 O180 Si4 -","2","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71073","MoKα","","0.0786","0.0421","","","0.081","0.0948","","","","","","1","","","","has coordinates,has disorder","258930","2020-11-06","12:49:53",""
"7059884","11.367","0.004","13.097","0.005","20.578","0.006","90","","112.338","0.016","90","","2833.6","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Ag N8 O42 P W12 -","- C26 H24 Ag N8 O42.0096 P W12 -","- C52 H48 Ag2 N16 O84.0192 P2 W24 -","2","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71073","MoKα","","0.0723","0.043","","","0.0752","0.0844","","","","","","1.02","","","","has coordinates,has disorder","258930","2020-11-06","12:49:55",""
"7059885","22.563","0.006","25.768","0.006","27.347","0.006","90","","91.734","0.005","90","","15892","7","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H68 Ag6 Mo24 N28 O86 P2 S14 -","- C98 H68 Ag6 Mo24 N28 O86 P2 S14 -","- C392 H272 Ag24 Mo96 N112 O344 P8 S56 -","4","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71073","MoKα","","0.1327","0.077","","","0.1908","0.2246","","","","","","1.044","","","","has coordinates,has disorder","258930","2020-11-06","12:49:56",""
"7059886","21.34","0.005","15.114","0.005","16.206","0.005","90","","98.963","0.005","90","","5163","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 Ag4 Mo24 N16 O82 Si2 -","- C51.9998 H38 Ag4 Mo24 N16 O82 Si2 -","- C104 H76 Ag8 Mo48 N32 O164 Si4 -","2","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71069","MoKα","","0.0817","0.0482","","","0.1113","0.1265","","","","","","1.021","","","","has coordinates,has disorder","258930","2020-11-06","12:49:56",""
"7059887","8.5585","0.0006","8.9403","0.0006","11.5304","0.0007","83.453","0.006","70.241","0.006","78.827","0.006","813.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C36 H38 N6 O2 S2 -","2","1","","Shally,; Kumar, Vijay; Althagafi, Ismail; Kumar, Ashish; Singhal, Divya; Kumar, Abhinav; Gupta, Rajeev; Pratap, Ramendra","Design and synthesis of new functionalized 8-(thiophen-2-yl)-1,2,3,4-tetrahydroquinolines as turn-off chemosensors for selective recognition of Pd2+ ions","New Journal of Chemistry","2020","44","36","15559","15566","10.1039/D0NJ02272A","","","0.71073","MoKα","","0.0491","0.0429","","","0.1126","0.1179","","","","","","1.055","","","","has coordinates","258924","2020-11-06","12:48:46",""
"7059888","10.0548","0.0008","13.6467","0.0012","14.5545","0.0013","103.029","0.004","93.009","0.004","101.76","0.004","1894.7","0.3","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 F18 Nd O8 S -","- C29 H19 F18 Nd O8 S -","- C58 H38 F36 Nd2 O16 S2 -","2","1","","Ahmed, Zubair; Avila, Harold C.; Carvalho, Rafael S.; Kai, Jiang; Resende, J. A. L. C.; Bandini, Elisa; Barbieri, Andrea; Cremona, Marco","Bright neodymium complexes for efficient near infra-red organic light emitting diodes","New Journal of Chemistry","2020","44","33","14161","14170","10.1039/D0NJ00403K","","","0.71073","MoKα","","0.0265","0.0226","","","0.0522","0.0567","","","","","","1.17","","","","has coordinates,has disorder","257704","2020-10-21","18:00:00",""
"7059889","13.1817","0.0007","13.6362","0.0006","30.7235","0.0016","90","","90.633","0.0018","90","","5522.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 F18 Nd O8 P2 -","- C51 H33 F18 Nd O8 P2 -","- C204 H132 F72 Nd4 O32 P8 -","4","1","","Ahmed, Zubair; Avila, Harold C.; Carvalho, Rafael S.; Kai, Jiang; Resende, J. A. L. C.; Bandini, Elisa; Barbieri, Andrea; Cremona, Marco","Bright neodymium complexes for efficient near infra-red organic light emitting diodes","New Journal of Chemistry","2020","44","33","14161","14170","10.1039/D0NJ00403K","","","0.71073","MoKα","","0.0434","0.0325","","","0.0592","0.0631","","","","","","1.189","","","","has coordinates,has disorder","257704","2020-10-21","18:00:00",""
"7059890","11.6815","0.0011","12.1673","0.0011","15.3934","0.0015","69.14","0.004","86.876","0.004","67.194","0.004","1875.8","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F18 Nd O10 S -","- C27 H19 F18 Nd O10 S -","- C54 H38 F36 Nd2 O20 S2 -","2","1","","Ahmed, Zubair; Avila, Harold C.; Carvalho, Rafael S.; Kai, Jiang; Resende, J. A. L. C.; Bandini, Elisa; Barbieri, Andrea; Cremona, Marco","Bright neodymium complexes for efficient near infra-red organic light emitting diodes","New Journal of Chemistry","2020","44","33","14161","14170","10.1039/D0NJ00403K","","","0.71073","MoKα","","0.0188","0.017","","","0.0427","0.0447","","","","","","1.109","","","","has coordinates,has disorder","257704","2020-10-21","18:00:00",""
"7059891","12.34413","0.00007","11.6996","0.00006","11.73975","0.00009","90","","95.4183","0.0006","90","","1687.9","0.018","94","0.2","94","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","S-(tert-Butyl)trifluorothioacetate","","","- C6 H9 F3 O S -","- C6 H9 F3 O S -","- C48 H72 F24 O8 S8 -","8","2","","Cayón, Vanina M.; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O.","Structure, conformational properties and matrix photochemistry of S-(tert-butyl)trifluorothioacetate CF3C(O)SC(CH3)3","New Journal of Chemistry","2020","44","34","14568","14577","10.1039/D0NJ03173A","","x-ray","0.71073","MoKα","","0.037","0.019","","","","0.022","","","","","","1.506","","","","has coordinates","257884","2020-10-21","18:00:00",""
"7059892","8.4013","0.0007","7.1404","0.0006","26.687","0.002","90","","96.133","0.001","90","","1591.8","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br4 N4 -","- C14 H6 Br4 N4 -","- C56 H24 Br16 N16 -","4","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","K-L~3~","0.0227","0.0191","","","0.0476","0.0554","","","","","","1.152","","","","has coordinates","258931","2020-11-06","12:50:06",""
"7059893","11.6114","0.0008","7.0737","0.0004","19.7448","0.0013","90","","92.356","0.002","90","","1620.38","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N4 O4 -","- C42 H34 N4 O4 -","- C84 H68 N8 O8 -","2","0.5","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","","0.0471","0.0394","","","0.0963","0.1021","","","","","","1.057","","","","has coordinates","258931","2020-11-06","12:50:07",""
"7059894","11.4912","0.0006","12.8803","0.0008","17.1913","0.0009","77.642","0.002","74.455","0.002","88.158","0.002","2393.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H60 Cl2 N4 -","- C55 H60 Cl2 N4 -","- C110 H120 Cl4 N8 -","2","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","","0.0956","0.0653","","","0.1463","0.1641","","","","","","1.028","","","","has coordinates,has disorder","258931","2020-11-06","12:50:07",""
"7059895","12.5112","0.001","7.3614","0.0006","14.092","0.0012","90","","107.653","0.002","90","","1236.76","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 -","- C14 H9 Br N4 -","- C56 H36 Br4 N16 -","4","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","K-L~3~","0.0354","0.0274","","","0.07","0.0732","","","","","","1.048","","","","has coordinates","258931","2020-11-06","12:50:07",""
"7059896","36.798","0.003","14.1747","0.0011","10.8322","0.0008","90","","92.909","0.003","90","","5642.8","0.8","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N4 -","- C38 H26 N4 -","- C304 H208 N32 -","8","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","","0.71073","MoKα","","0.0791","0.0648","","","0.1484","0.1549","","","","","","1.111","","","","has coordinates","258931","2020-11-06","12:50:07",""
"7059897","6.942","0.0019","7.3544","0.0019","32.837","0.009","89.801","0.017","89.818","0.017","70.483","0.016","1580.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cl N6 O4 -","- C12 H13 Cl N6 O4 -","- C48 H52 Cl4 N24 O16 -","4","2","","Banerjee, Mahuya; Ghosh, Milan; Ta, Sabyasachi; Ghosh, Subhasis; Das, Debasis","Tuning uracil derivatives for the AIE-based detection of pyrene at a nano-molar level: single-crystal X-ray structure and DFT support","New Journal of Chemistry","2020","44","36","15376","15386","10.1039/D0NJ03024D","","","0.71073","MoKα","","0.0718","0.0792","","","0.0898","0.097","","","","","","1.06","","","","has coordinates","258920","2020-11-06","12:48:09",""
"7059898","5.3571","0.0002","12.7753","0.0006","13.8969","0.0006","74.461","0.004","86.616","0.003","85.79","0.003","913.08","0.07","295.5","0.3","295.5","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O3 S2 -","- C22 H16 O3 S2 -","- C44 H32 O6 S4 -","2","1","","Feng, Zhi-Wen; Li, Jing; Jiang, Yu-Qin; Tian, Yu; Xu, Gui-Qing; Shi, Xin; Ding, Qing-Jie; Li, Wei; Ma, Chun-Hua; Yu, Bing","Transition-metal-free sulfonylations of methylthiolated alkynones to synthesize 3-sulfonylated thioflavones","New Journal of Chemistry","2020","44","35","14786","14790","10.1039/D0NJ03386C","","x-ray","1.54184","CuKα","","0.042","0.0374","","","0.1029","0.1055","","","","","","1.065","","","","has coordinates","258935","2020-11-06","12:50:47",""
"7059899","9.6448","0.0009","10.4761","0.001","20.407","0.002","99.834","0.003","90.618","0.003","113.963","0.003","1849.1","0.3","110.64","0.02","110.64","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","2","","Ghosh, Pritam; Paul, Suparna; Dey, Debanjan; Jana, Saibal; Roy, Biswajit Gopal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata","Engineering bio-molecular device with biocompatible sensor via symmetric encryption‒decryption of spectroscopic signals towards F− detection and Zn2+ recognition by the imine hydrolysis pathway","New Journal of Chemistry","2020","44","35","15251","15259","10.1039/D0NJ01057J","","","0.71073","MoKα","","0.0436","0.0406","","","0.1045","0.1069","","","","","","1.033","","","","has coordinates","258932","2020-11-06","12:50:15",""
"7059900","9.8814","0.0004","12.1332","0.0004","12.3986","0.0005","90.205","0.001","113.005","0.001","109.168","0.001","1277.47","0.09","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H20 Cl3 N O4 Pt0.5 S5 -","- C21 H20 Cl3 N O4 Pt0.5 S5 -","- C42 H40 Cl6 N2 O8 Pt S10 -","2","1","","Frąckowiak, Arkadiusz; Barszcz, Bolesław; Olejniczak, Iwona; Tomasik, Mikołaj; Jarzyniak, Natalia; Świetlik, Roman; Auban-Senzier, Pascale; Fourmigué, Marc; Jeannin, Olivier; Camerel, Franck","Mixed valence trimers in cation radical salts of TMTTF with the planar bis(6-sulfo-8-quinolato) platinum complex [Pt(qS)2]2−","New Journal of Chemistry","2020","44","36","15538","15548","10.1039/D0NJ03584J","","x-ray","0.71073","MoKα","","0.0316","0.0294","","","0.0569","0.0577","","","","","","1.048","","","","has coordinates","258923","2020-11-06","12:48:37",""
"7059901","22.6764","0.0015","9.9976","0.0006","12.7217","0.0009","90","","110.9","0.003","90","","2694.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C24 H23 N O4 Pt0.5 S7 -","- C24 H23 N O4 Pt0.5 S7 -","- C96 H92 N4 O16 Pt2 S28 -","4","0.5","","Frąckowiak, Arkadiusz; Barszcz, Bolesław; Olejniczak, Iwona; Tomasik, Mikołaj; Jarzyniak, Natalia; Świetlik, Roman; Auban-Senzier, Pascale; Fourmigué, Marc; Jeannin, Olivier; Camerel, Franck","Mixed valence trimers in cation radical salts of TMTTF with the planar bis(6-sulfo-8-quinolato) platinum complex [Pt(qS)2]2−","New Journal of Chemistry","2020","44","36","15538","15548","10.1039/D0NJ03584J","","x-ray","0.71073","MoKα","","0.0351","0.0308","","","0.0572","0.0593","","","","","","1.017","","","","has coordinates","258923","2020-11-06","12:48:41",""
"7059902","14.2917","0.0015","5.5579","0.0006","14.5639","0.0014","90","","111.471","0.007","90","","1076.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O8 -","- C24 H28 O8 -","- C48 H56 O16 -","2","0.5","","Shabir, Ghulam; Saeed, Aamer; Qasim, Muhammad; Bolte, Michael; Hökelek, Tuncer; Erben, Mauricio Federico","On the planarity of the cyclobutane ring in the crystal of dimethyl 2,4-bis(3,4-dimethoxyphenyl)cyclobutane-1,3-dicarboxylate: a natural bond orbital and Hirshfeld surface analysis study","New Journal of Chemistry","2020","44","36","15515","15525","10.1039/D0NJ02739A","","","0.71073","MoKα","","0.0542","0.0459","","","0.1135","0.1176","","","","","","1.047","","","","has coordinates","265221","2021-05-14","10:01:31",""
"7059903","10.1302","0.0003","16.2436","0.0005","16.2491","0.0005","90","","90","","90","","2673.8","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H40 B18 Co N O2 -","- C13 H40 B18 Co N O2 -","- C52 H160 B72 Co4 N4 O8 -","4","1","","Bogdanova, Ekaterina V.; Stogniy, Marina Yu.; Chekulaeva, Lyubov A.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.; Grin, Mikhail A.; Mironov, Andrey F.; Bregadze, Vladimir I.","Synthesis and reactivity of propionitrilium derivatives of cobalt and iron bis(dicarbollides)","New Journal of Chemistry","2020","44","37","15836","15848","10.1039/D0NJ03017A","","","0.71073","MoKα","","0.0489","0.0368","","","0.0835","0.0893","","","","","","1.062","","","","has coordinates","258889","2020-11-06","12:41:10",""
"7059904","12.274","0.001","14.7071","0.0013","15.7843","0.0014","83.874","0.002","79.833","0.002","68.584","0.002","2608.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Eudpqtfa3","","","- C114 H84 Cl12 Eu2 N14 O12 -","- C114 H84 Cl12 Eu2 N14 O12 -","- C114 H84 Cl12 Eu2 N14 O12 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0875","0.0707","","","0.1764","0.1954","","","","","","1.086","","","","has coordinates","258921","2020-11-06","12:48:18",""
"7059905","12.1852","0.0011","14.6493","0.0012","15.8587","0.0013","83.611","0.002","80.232","0.002","68.241","0.002","2587.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tbdpqtfa3","","","- C114 H84 Cl12 N14 O12 Tb2 -","- C114 H84 Cl12 N14 O12 Tb2 -","- C114 H84 Cl12 N14 O12 Tb2 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0804","0.0622","","","0.1613","0.1834","","","","","","1.013","","","","has coordinates","258921","2020-11-06","12:48:19",""
"7059906","15.3633","0.0011","16.2341","0.0011","16.5403","0.0011","94.764","0.002","109.988","0.002","116.867","0.002","3316.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Eudppztfa3","","","- C126 H100 Cl24 Eu2 N14 O16 -","- C126 H100 Cl24 Eu2 N14 O16 -","- C126 H100 Cl24 Eu2 N14 O16 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0632","0.0587","","","0.1535","0.1613","","","","","","1.039","","","","has coordinates","258921","2020-11-06","12:48:19",""
"7059907","15.3604","0.0006","16.2122","0.0007","16.48","0.0006","94.479","0.001","109.871","0.001","117.003","0.001","3303.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tbdppztfa3","","","- C126 H100 Cl24 N14 O16 Tb2 -","- C126 H100 Cl24 N14 O16 Tb2 -","- C126 H100 Cl24 N14 O16 Tb2 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0567","0.0499","","","0.1261","0.136","","","","","","1.027","","","","has coordinates","258921","2020-11-06","12:48:19",""
"7059908","15.7865","0.0016","15.7979","0.0016","14.0932","0.0015","90","","113.559","0.003","90","","3221.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N2 O6 Zn -","- C38 H32 N2 O6 Zn -","- C152 H128 N8 O24 Zn4 -","4","1","","Dutta, Basudeb; Ghosh, Sourav Ranjan; Ray, Apurba; Jana, Srikanta; Sinha, Chittaranjan; Das, Sachindranath; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah","Stabilization of cyclic water tetramers and dimers in the crystal host of 2D coordination networks: electrical conductivity and dielectric studies","New Journal of Chemistry","2020","44","37","15857","15870","10.1039/D0NJ03750H","","","1.54178","CuKα","","0.0631","0.0593","","","0.1298","0.1322","","","","","","1.063","","","","has coordinates","258887","2020-11-06","12:40:50",""
"7059909","15.7596","0.0017","16.9112","0.0019","12.5653","0.0014","90","","109.196","0.003","90","","3162.6","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30.6 N2 O4.3 Zn -","- C39 H30.6 N2 O4.3 Zn -","- C156 H122.4 N8 O17.2 Zn4 -","4","1","","Dutta, Basudeb; Ghosh, Sourav Ranjan; Ray, Apurba; Jana, Srikanta; Sinha, Chittaranjan; Das, Sachindranath; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah","Stabilization of cyclic water tetramers and dimers in the crystal host of 2D coordination networks: electrical conductivity and dielectric studies","New Journal of Chemistry","2020","44","37","15857","15870","10.1039/D0NJ03750H","","","0.71073","MoKα","","0.0902","0.066","","","0.1535","0.1672","","","","","","1.071","","","","has coordinates","258887","2020-11-06","12:40:54",""
"7059910","13.1438","0.0002","4.63066","0.00007","35.1361","0.0007","90","","99.9688","0.0017","90","","2106.25","0.06","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.0491","0.0445","","","0.1253","0.1318","","","","","","1.044","","","","has coordinates,has disorder","258941","2020-11-06","12:52:21",""
"7059911","10.0943","0.0007","16.7406","0.001","18.719","0.0012","90","","91.772","0.006","90","","3161.7","0.4","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H102 N6 O7 -","- C62 H102 N6 O7 -","- C124 H204 N12 O14 -","2","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.1075","0.0652","","","0.1625","0.1991","","","","","","1.017","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059912","16.5304","0.0006","18.1277","0.0004","19.8203","0.0008","90","","92.4926","0.0014","90","","5933.7","0.3","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Br2 N6 O3 -","- C58 H96 Br2 N6 O3 -","- C232 H384 Br8 N24 O12 -","4","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.2217","0.0892","","","0.2057","0.2792","","","","","","1.019","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059913","9.8525","0.0002","9.8769","0.0002","17.3039","0.0004","85.666","0.002","86.551","0.002","76.335","0.002","1629.98","0.06","295","1","295","1","","","","","","","","6","P 1","P 1","1","","","","- C60 H100 I2 N6 O3 S -","- C60 H100 I2 N6 O3 S -","- C60 H100 I2 N6 O3 S -","1","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.0256","0.0254","","","0.068","0.0691","","","","","","1.064","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059914","15.0086","0.0013","9.8413","0.0005","20.6682","0.0016","90","","99.841","0.008","90","","3007.9","0.4","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H94 N8 O8 -","- C58 H94 N8 O8 -","- C116 H188 N16 O16 -","2","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.1354","0.0777","","","0.2218","0.2708","","","","","","1.027","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059915","12.129","0.0003","14.2416","0.0003","38.0026","0.001","90","","90.258","0.002","90","","6564.4","0.3","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H98 N8 O10 -","- C62 H98 N8 O10 -","- C248 H392 N32 O40 -","4","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.1057","0.0893","","","0.3183","0.3548","","","","","","1.309","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059916","25.2125","0.0006","8.18205","0.00012","47.2764","0.0007","90","","91.9897","0.0017","90","","9746.8","0.3","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N6 O6 -","- C26 H20 N6 O6 -","- C312 H240 N72 O72 -","12","1.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.0923","0.0839","","","0.2263","0.2327","","","","","","1.064","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059917","18.2621","0.0005","14.8485","0.0004","24.879","0.0009","90","","90.576","0.003","90","","6746","0.4","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H99 N6 O10.5 P2 -","- C58 H99 N6 O10.5 P2 -","- C232 H396 N24 O42 P8 -","4","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.1115","0.1039","","","0.3457","0.3711","","","","","","1.59","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059918","21.451","0.002","8.7308","0.0007","17.3855","0.0011","90","","92.489","0.007","90","","3253","0.5","295","1","295","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H98 Br2 N6 O2 -","- C66 H98 Br2 N6 O2 -","- C132 H196 Br4 N12 O4 -","2","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.081","0.0491","","","0.1254","0.1471","","","","","","1.015","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059919","10.086","0.0014","17.874","0.003","19.228","0.004","90","","99.871","0.015","90","","3415.1","1","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H104 N6 O6 -","- C70 H104 N6 O6 -","- C140 H208 N12 O12 -","2","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.164","0.0814","","","0.2284","0.2996","","","","","","1.012","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059920","7.9775","0.0004","10.0854","0.0005","20.0463","0.001","101.107","0.004","96.41","0.004","93.701","0.004","1566.61","0.14","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H92 Br2 N8 O6 -","- C58 H92 Br2 N8 O6 -","- C58 H92 Br2 N8 O6 -","1","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.0678","0.0427","","","0.0956","0.1073","","","","","","1.014","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059921","13.8036","0.0008","18.2461","0.001","18.3745","0.0009","81.787","0.004","83.628","0.004","70.879","0.005","4317.5","0.4","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H113 N14 O16 P -","- C84 H113 N14 O16 P -","- C168 H226 N28 O32 P2 -","2","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.1649","0.0915","","","0.2562","0.3163","","","","","","1.023","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059922","21.87","0.004","13.09","0.003","23.56","0.005","90","","90.14","0.03","90","","6745","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76.5 H59 Cl0.75 Cu4 N4 O8 -","- C76.5 H59 Cl0.75 Cu4 N4 O8 -","- C306 H236 Cl3 Cu16 N16 O32 -","4","1","","Ahmed, Naushad; Tripathi, Shalini; Sarkar, Arup; Ansari, Kamal Uddin; Das, Chinmoy; Prajesh, Neetu; Horike, Satoshi; Boomishankar, Ramamoorthy; Shanmugam, Maheswaran","Chiral tetranuclear copper(ii) complexes: synthesis, optical and magnetic properties","New Journal of Chemistry","2020","44","39","16845","16855","10.1039/D0NJ02856H","","","0.71073","MoKα","","0.099","0.0735","","","0.2007","0.222","","","","","","1.046","","","","has coordinates,has disorder","258912","2020-11-06","12:46:21",""
"7059923","9.2818","0.0013","6.7034","0.001","14.154","0.002","90","","95.26","0.004","90","","876.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Tegafur Syringic acid","5-Fluoro-1-(tetrahydro-2-furyl)-uracil 4-hydroxy-3,5-dimethoxybenzoic acid","","- C8.5 H9.5 F0.5 N O4 -","- C8.5 H9.5 F0.5 N O4 -","- C34 H38 F2 N4 O16 -","4","1","","Yu, Yue-Ming; Yu, Ming-Chao; Wang, Ling-Yang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","A supramolecular adduct of tegafur and syringic acid: the first tegafur-nutraceutical cocrystal with perfected in vitro and in vivo characteristics as well as synergized anticancer activities","New Journal of Chemistry","2020","44","37","15994","16005","10.1039/D0NJ03033C","","","0.71073","MoKα","","0.1182","0.0729","","","0.1383","0.1523","","","","","","1.136","","","","has coordinates,has disorder","258893","2020-11-06","12:42:25",""
"7059924","9.1575","0.0004","9.7424","0.0007","18.8433","0.0012","80.612","0.005","88.722","0.004","81.743","0.005","1641.41","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Mn2 N4 O9 -","- C40 H22 Mn2 N4 O9 -","- C80 H44 Mn4 N8 O18 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","1.54178","CuKα","","0.0524","0.0386","","","0.0873","0.0966","","","","","","1.013","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059925","9.6533","0.0008","10.2886","0.0007","12.0303","0.0011","81.518","0.007","84.74","0.007","69.49","0.007","1105.82","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cd2 N O11 -","- C21 H15 Cd2 N O11 -","- C42 H30 Cd4 N2 O22 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","0.71073","MoKα","","0.0526","0.0368","","","0.0606","0.0696","","","","","","1.041","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059926","9.2839","0.0004","9.7926","0.0005","18.8722","0.001","80.21","0.004","89.15","0.004","81.519","0.004","1672.17","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Cd2 N4 O9 -","- C40 H22 Cd2 N4 O9 -","- C80 H44 Cd4 N8 O18 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","0.71073","MoKα","","0.0617","0.0413","","","0.0663","0.0778","","","","","","1.049","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059927","9.1491","0.0003","9.7813","0.0004","18.2601","0.0008","78.26","0.004","89.318","0.003","82.47","0.003","1585.93","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Mn2 N4 O9 -","- C36 H22 Mn2 N4 O9 -","- C72 H44 Mn4 N8 O18 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","1.54178","CuKα","","0.0372","0.0324","","","0.0796","0.0832","","","","","","1.019","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059928","7.8912","0.0005","11.8502","0.0008","19.9189","0.0014","88.39","0.006","86.247","0.005","79.912","0.005","1829.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Cd2 N4 O13 -","- C36 H27 Cd2 N4 O13 -","- C72 H54 Cd4 N8 O26 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","0.71073","MoKα","","0.0945","0.0599","","","0.1302","0.1536","","","","","","1.045","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059929","23.3836","0.0015","7.8481","0.0005","24.1515","0.0017","90","","115.063","0.008","90","","4014.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C192 H144 N16 O32 -","8","2","","Mir, Nisar A.; Ramaraju, Panduga; Vanaparthi, Satheeshvarma; Choudhary, Sachin; Singh, Rajnish P.; Sharma, Preetika; Kant, Rajni; Singh, Rajpal; Sankaranarayanan, Murugesan; Kumar, Indresh","Sequential multicomponent catalytic synthesis of pyrrole-3-carboxaldehydes: evaluation of antibacterial and antifungal activities along with docking studies","New Journal of Chemistry","2020","44","38","16329","16339","10.1039/D0NJ03575K","","","0.71073","MoKα","","0.142","0.0551","","","0.0765","0.1004","","","","","","0.894","","","","has coordinates","258943","2020-11-06","12:52:57",""
"7059930","9.517","0.0005","10.8616","0.0007","18.5972","0.001","90","","100.902","0.005","90","","1887.69","0.19","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C88 H64 N16 O16 -","4","1","","Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton","Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches","New Journal of Chemistry","2020","44","35","15081","15099","10.1039/D0NJ03301D","","x-ray","0.71073","MoKα","","0.0713","0.0471","","","0.1112","0.125","","","","","","1.043","","","","has coordinates","258926","2020-11-06","12:49:07",""
"7059931","16.3125","0.0006","8.4276","0.0003","27.2914","0.001","90","","105.355","0.004","90","","3618","0.2","290","","290","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H16 N4 O2 -","- C21 H16 N4 O2 -","- C168 H128 N32 O16 -","8","1","","Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton","Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches","New Journal of Chemistry","2020","44","35","15081","15099","10.1039/D0NJ03301D","","x-ray","0.71073","MoKα","","0.0764","0.0482","","","0.1154","0.132","","","","","","1.077","","","","has coordinates","258926","2020-11-06","12:49:08",""
"7059932","8.5374","0.0008","10.4625","0.0017","11.6521","0.0017","107.718","0.014","96.228","0.01","106.521","0.011","928.6","0.3","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N3 O3 -","- C22 H17 N3 O3 -","- C44 H34 N6 O6 -","2","1","","Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton","Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches","New Journal of Chemistry","2020","44","35","15081","15099","10.1039/D0NJ03301D","","x-ray","0.71073","MoKα","","0.1352","0.0618","","","0.1746","0.1927","","","","","","1.024","","","","has coordinates","258926","2020-11-06","12:49:08",""
"7059933","19.6248","0.0012","7.2937","0.0006","16.2808","0.0013","90","","94.445","0.006","90","","2323.4","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8.25 In N2 O5.62 -","- C11 H8.25 In N2 O5.625 -","- C88 H66 In8 N16 O45 -","8","1","","Cen, Peipei; Liang, Chen; Duan, Lijuan; Wang, Meilin; Tian, Danian; Liu, Xiangyu","A robust 3D In‒MOF with an imidazole acid ligand as a fluorescent sensor for sensitive and selective detection of Fe3+ ions","New Journal of Chemistry","2020","44","37","16076","16081","10.1039/D0NJ03793A","","","0.71073","MoKα","","0.0541","0.0387","","","0.0685","0.0753","","","","","","1.035","","","","has coordinates","258888","2020-11-06","12:41:00",""
"7059934","8.4477","0.0006","9.0068","0.0005","23.045","0.0017","90","","93.494","0.003","90","","1750.2","0.2","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 N8 O12 -","- C13 H6 N8 O12 -","- C52 H24 N32 O48 -","4","1","","Tang, Jie; Chen, Jieyi; Yang, Pengju; Yang, Hongwei; Cheng, Guangbin","An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative","New Journal of Chemistry","2020","44","37","15849","15856","10.1039/D0NJ03476B","","","0.71073","MoKα","","0.1011","0.0599","","","0.0943","0.106","","","","","","1.097","","","","has coordinates","258892","2020-11-06","12:42:18",""
"7059935","7.8751","0.0004","8.0958","0.0003","12.352","0.0005","81.816","0.002","80.771","0.002","80.036","0.002","760.25","0.06","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N16 O14 -","- C22 H22 N16 O14 -","- C22 H22 N16 O14 -","1","0.5","","Tang, Jie; Chen, Jieyi; Yang, Pengju; Yang, Hongwei; Cheng, Guangbin","An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative","New Journal of Chemistry","2020","44","37","15849","15856","10.1039/D0NJ03476B","","","0.71073","MoKα","","0.065","0.0404","","","0.0859","0.0983","","","","","","1.051","","","","has coordinates,has disorder","258892","2020-11-06","12:42:18",""
"7059936","26.618","0.01","15.497","0.006","9.32","0.003","90","","97.757","0.01","90","","3809","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 N10 O10 -","- C15 H8 N10 O10 -","- C120 H64 N80 O80 -","8","1","","Tang, Jie; Chen, Jieyi; Yang, Pengju; Yang, Hongwei; Cheng, Guangbin","An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative","New Journal of Chemistry","2020","44","37","15849","15856","10.1039/D0NJ03476B","","","0.71073","MoKα","","0.1762","0.1084","","","0.2653","0.3001","","","","","","1.057","","","","has coordinates","258892","2020-11-06","12:42:18",""
"7059937","17.899","0.005","13.249","0.005","24.649","0.005","90","0.005","90.85","0.005","90","0.005","5845","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H66 Co2 N6 O4 -","- C68 H66 Co2 N6 O4 -","- C272 H264 Co8 N24 O16 -","4","1","","Filkale, Adelew Estifanos; Pathak, Chandni","Dinuclear cobalt complexes supported by biphenol and binaphthol-derived bis(salicylaldimine) ligands: synthesis, characterization and catalytic application in β-enaminone synthesis from 1,3-dicarbonyl compounds and aliphatic amines","New Journal of Chemistry","2020","44","35","15109","15121","10.1039/D0NJ00052C","","","0.71073","MoKα","","0.053","0.0516","","","0.1282","0.1292","","","","","","1.144","","","","has coordinates","258927","2020-11-06","12:49:17",""
"7059938","15.965","0.005","12.533","0.005","20.132","0.005","90","0.005","111.862","0.005","90","0.005","3739","2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H60 Co2 N4 O4 -","- C76 H60 Co2 N4 O4 -","- C152 H120 Co4 N8 O8 -","2","1","","Filkale, Adelew Estifanos; Pathak, Chandni","Dinuclear cobalt complexes supported by biphenol and binaphthol-derived bis(salicylaldimine) ligands: synthesis, characterization and catalytic application in β-enaminone synthesis from 1,3-dicarbonyl compounds and aliphatic amines","New Journal of Chemistry","2020","44","35","15109","15121","10.1039/D0NJ00052C","","","0.71073","MoKα","","0.0961","0.0905","","","0.2475","0.2583","","","","","","1.081","","","","has coordinates","258927","2020-11-06","12:49:17",""
"7059939","6.6999","0.0003","20.5919","0.0009","7.634","0.0004","90","","107.377","0.005","90","","1005.15","0.09","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-hydroxyphenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol","","- C10 H6 F3 N3 O2 -","- C10 H6 F3 N3 O2 -","- C40 H24 F12 N12 O8 -","4","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0543","0.0397","","","0.0931","0.1036","","","","","","1.028","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059940","7.4429","0.0003","21.4011","0.0009","15.5986","0.0007","90","","97.343","0.004","90","","2464.27","0.18","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(2-hydroxy-5-methylphenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol monohydrate","","- C11 H10 F3 N3 O3 -","- C11 H10 F3 N3 O3 -","- C88 H80 F24 N24 O24 -","8","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0698","0.0516","","","0.1328","0.1502","","","","","","1.028","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059941","6.6403","0.0009","8.1037","0.0007","11.1004","0.0013","106.45","0.009","101.623","0.011","93.168","0.009","557.1","0.12","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","4-(2-hydroxy-5-chlorophenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol","","- C10 H5 Cl F3 N3 O2 -","- C10 H5 Cl F3 N3 O2 -","- C20 H10 Cl2 F6 N6 O4 -","2","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0808","0.0482","","","0.1044","0.1272","","","","","","1.039","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059942","5.0192","0.0002","17.4035","0.0006","13.0726","0.0005","90","","94.057","0.004","90","","1139.05","0.07","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-hydroxy-5-nitrophenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol","","- C10 H5 F3 N4 O4 -","- C10 H5 F3 N4 O4 -","- C40 H20 F12 N16 O16 -","4","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0841","0.0535","","","0.1287","0.1535","","","","","","1.02","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059943","18.7726","0.0014","11.047","0.0007","19.4765","0.0013","90","","97.954","0.002","90","","4000.2","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H86 Cl0 Dy2 Mn4 N14 O27 -","- C72 H86 Dy2 Mn4 N14 O27 -","- C144 H172 Dy4 Mn8 N28 O54 -","2","0.25","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Zhang, Ke; Zhang, Zaichao; Song, You; Pan, Zhi-Quan","Modulating the structural topologies and magnetic relaxation behaviour of the Mn‒Dy compounds by using different auxiliary organic ligands","New Journal of Chemistry","2020","44","38","16302","16310","10.1039/D0NJ03838E","","","0.71073","MoKα","","0.0592","0.039","","","0.0719","0.0763","","","","","","1.038","","","","has coordinates","258942","2020-11-06","12:52:35",""
"7059944","25.1051","0.0011","26.7821","0.0009","22.7889","0.001","90","","100.298","0.002","90","","15075.7","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H61 Cl2 Dy Mn4 N8 O17 -","- C62 H61 Cl2 Dy Mn4 N8 O17 -","- C496 H488 Cl16 Dy8 Mn32 N64 O136 -","8","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Zhang, Ke; Zhang, Zaichao; Song, You; Pan, Zhi-Quan","Modulating the structural topologies and magnetic relaxation behaviour of the Mn‒Dy compounds by using different auxiliary organic ligands","New Journal of Chemistry","2020","44","38","16302","16310","10.1039/D0NJ03838E","","","0.71073","MoKα","","0.1341","0.0952","","","0.2016","0.2157","","","","","","1.097","","","","has coordinates","258942","2020-11-06","12:52:39",""
"7059945","19.632","0.001","5.7579","0.0003","18.7135","0.0011","90","","90","","90","","2115.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","2","","Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir","Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis","New Journal of Chemistry","2020","44","38","16626","16637","10.1039/D0NJ03474F","","","0.71073","MoKα","","0.0777","0.0472","","","0.0944","0.1079","","","","","","1.041","","","","has coordinates","258938","2020-11-06","12:51:29",""
"7059946","6.828","0.0003","8.4251","0.0004","12.0384","0.0005","101.229","0.001","95.141","0.001","109.126","0.002","632.92","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir","Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis","New Journal of Chemistry","2020","44","38","16626","16637","10.1039/D0NJ03474F","","","0.71073","MoKα","","0.0526","0.0402","","","0.0935","0.1027","","","","","","1.036","","","","has coordinates","258938","2020-11-06","12:51:32",""
"7059947","7.2135","0.0009","9.5319","0.001","9.6366","0.0011","84.67","0.004","68.742","0.004","82.721","0.004","611.74","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 N2 O2 -","- C12 H13 F3 N2 O2 -","- C24 H26 F6 N4 O4 -","2","1","","Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir","Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis","New Journal of Chemistry","2020","44","38","16626","16637","10.1039/D0NJ03474F","","","0.71073","MoKα","","0.0663","0.0435","","","0.0868","0.0976","","","","","","1.038","","","","has coordinates","258938","2020-11-06","12:51:36",""
"7059948","11.1289","0.0004","15.0127","0.0006","10.5764","0.0005","90","","90","","90","","1767.05","0.13","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H19 Cl2 Cu N S2 -","- C16 H19 Cl2 Cu N S2 -","- C64 H76 Cl8 Cu4 N4 S8 -","4","0.5","","Durigon, Daniele Cocco; Maragno Peterle, Marcos; Bortoluzzi, Adailton João; Ribeiro, Ronny Rocha; Braga, Antonio Luiz; Peralta, Rosely Aparecida; Neves, Ademir","Cu(ii) complexes with tridentate sulfur and selenium ligands: catecholase and hydrolysis activity","New Journal of Chemistry","2020","44","36","15698","15707","10.1039/D0NJ02806A","","","0.71073","MoKα","","0.0348","0.0264","","","0.0587","0.0638","","","","","","1.084","","","","has coordinates","258919","2020-11-06","12:47:53",""
"7059949","11.0926","0.0006","15.3632","0.0009","10.7113","0.0006","90","","90","","90","","1825.4","0.18","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H19 Cl2 Cu N Se2 -","- C16 H19 Cl2 Cu N Se2 -","- C64 H76 Cl8 Cu4 N4 Se8 -","4","0.5","","Durigon, Daniele Cocco; Maragno Peterle, Marcos; Bortoluzzi, Adailton João; Ribeiro, Ronny Rocha; Braga, Antonio Luiz; Peralta, Rosely Aparecida; Neves, Ademir","Cu(ii) complexes with tridentate sulfur and selenium ligands: catecholase and hydrolysis activity","New Journal of Chemistry","2020","44","36","15698","15707","10.1039/D0NJ02806A","","","0.71073","MoKα","","0.0414","0.0272","","","0.0555","0.0613","","","","","","1.056","","","","has coordinates","258919","2020-11-06","12:47:59",""
"7059950","5.8152","0.0007","19.93","0.003","9.4998","0.0012","90","","102.749","0.002","90","","1073.9","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C40 H44 Cu4 N4 O20 -","4","2","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0226","0.0211","","","0.0473","0.0478","","","","","","1.005","","","","has coordinates","258937","2020-11-06","12:51:12",""
"7059951","6.3126","0.0013","13.094","0.003","11.74","0.003","90","","91.632","0.008","90","","970","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Cu N O4 -","- C9 H9 Cu N O5 -","- C36 H36 Cu4 N4 O20 -","4","1","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0459","0.0348","","","0.1029","0.1294","","","","","","0.968","","","","has coordinates","258937","2020-11-06","12:51:13",""
"7059952","7.3484","0.001","14.6316","0.0019","16.822","0.002","90","","99.035","0.002","90","","1786.2","0.4","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","CuPDB","","- C35 H40 Cu2 N2 O12 -","- C35 H40 Cu2 N2 O12 -","- C70 H80 Cu4 N4 O24 -","2","1","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0343","0.0296","","","0.0653","0.0671","","","","","","0.976","","","","has coordinates","258937","2020-11-06","12:51:13",""
"7059953","5.9103","0.0002","7.481","0.0002","23.4895","0.0008","90","","92.482","0.001","90","","1037.61","0.06","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Fe N O -","- C12 H13 Fe N O -","- C48 H52 Fe4 N4 O4 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0365","0.0351","","","0.0891","0.0902","","","","","","1.065","","","","has coordinates","258891","2020-11-06","12:41:44",""
"7059954","15.261","0.003","7.467","0.0011","10.2018","0.0016","90","","109.261","0.006","90","","1097.5","0.3","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F3 Fe N O -","- C12 H10 F3 Fe N O -","- C48 H40 F12 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0415","0.0333","","","0.072","0.0763","","","","","","1.06","","","","has coordinates","258891","2020-11-06","12:41:47",""
"7059955","18.433","0.003","10.1869","0.0016","15.329","0.003","90","","90","","90","","2878.4","0.9","150","2","150","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C17 H14 Fe N2 O3 -","- C17 H14 Fe N2 O3 -","- C136 H112 Fe8 N16 O24 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0474","0.0353","","","0.0899","0.0975","","","","","","0.964","","","","has coordinates","258891","2020-11-06","12:41:56",""
"7059956","14.4453","0.0009","10.4926","0.0005","10.0119","0.0006","90","","105.996","0.002","90","","1458.74","0.14","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl Fe N O -","- C17 H14 Cl Fe N O -","- C68 H56 Cl4 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0388","0.031","","","0.072","0.0765","","","","","","0.975","","","","has coordinates","258891","2020-11-06","12:41:59",""
"7059957","9.836","0.0012","8.386","0.001","28.171","0.003","90","","90","","90","","2323.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Fe N O -","- C14 H15 Fe N O -","- C112 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0409","0.0352","","","0.0832","0.0858","","","","","","1.162","","","","has coordinates","258891","2020-11-06","12:41:59",""
"7059958","10.2809","0.0014","26.782","0.004","9.9687","0.0013","90","","90","","90","","2744.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C17 H15 Fe N O -","- C17 H15 Fe N O -","- C136 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0322","0.0273","","","0.065","0.068","","","","","","1.033","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059959","14.1641","0.0013","9.6057","0.0008","8.2368","0.0008","90","","106.643","0.003","90","","1073.72","0.17","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Fe N O -","- C13 H13 Fe N O -","- C52 H52 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0248","0.0224","","","0.0629","0.0652","","","","","","0.959","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059960","10.025","0.0013","8.8225","0.001","27.727","0.003","90","","90","","90","","2452.3","0.5","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Fe N O -","- C15 H17 Fe N O -","- C120 H136 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0391","0.0305","","","0.0724","0.0766","","","","","","1.035","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059961","9.6323","0.0009","10.0838","0.0012","15.0175","0.0018","90","","95.784","0.004","90","","1451.2","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Fe N O -","- C18 H17 Fe N O -","- C72 H68 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0295","0.0263","","","0.0699","0.0721","","","","","","1.048","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059962","20.788","0.003","13.387","0.002","10.5242","0.0013","90","","114.189","0.004","90","","2671.6","0.7","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Fe N O -","- C16 H19 Fe N O -","- C128 H152 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0374","0.0288","","","0.0696","0.0746","","","","","","1.011","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059963","10.7882","0.0011","14.3983","0.0013","9.0245","0.0009","90","","102.111","0.004","90","","1370.6","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F Fe N O -","- C17 H14 F Fe N O -","- C68 H56 F4 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0281","0.0248","","","0.0631","0.0657","","","","","","0.954","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059964","10.3749","0.0011","11.6955","0.0013","13.3758","0.0012","109.852","0.003","100.413","0.003","91.18","0.004","1495.5","0.3","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C18 H16 Cl Fe N O -","- C18 H16 Cl Fe N O -","- C72 H64 Cl4 Fe4 N4 O4 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0446","0.0391","","","0.1001","0.104","","","","","","1.055","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059965","14.3999","0.0012","10.4832","0.0007","10.1885","0.0009","90","","98.29","0.003","90","","1522","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Fe N O2 -","- C18 H17 Fe N O2 -","- C72 H68 Fe4 N4 O8 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0953","0.0761","","","0.1975","0.213","","","","","","0.974","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059966","10.9882","0.0005","12.9018","0.0005","14.8228","0.0005","99.381","0.002","91.412","0.001","109.26","0.001","1950.3","0.14","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H20 Cl Fe N O -","- C24 H20 Cl Fe N O -","- C96 H80 Cl4 Fe4 N4 O4 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.044","0.0321","","","0.073","0.0788","","","","","","1.007","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059967","29.192","0.003","8.5607","0.0008","9.406","0.0009","90","","92.452","0.004","90","","2348.4","0.4","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Fe N O -","- C14 H15 Fe N O -","- C112 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0303","0.0265","","","0.0746","0.0784","","","","","","0.904","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059968","12.7745","0.0016","11.0716","0.0016","10.518","0.0012","90","","94.122","0.004","90","","1483.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Fe N2 O -","- C16 H22 Fe N2 O -","- C64 H88 Fe4 N8 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0517","0.042","","","0.1092","0.1169","","","","","","1.057","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059969","17.0141","0.0013","10.6656","0.0009","20.145","0.0016","90","","107.428","0.003","90","","3487.8","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Fe2 N O -","- C22 H21 Fe2 N O -","- C176 H168 Fe16 N8 O8 -","8","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0419","0.0341","","","0.0853","0.0906","","","","","","1.038","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059970","8.9424","0.0005","9.3918","0.0006","18.8587","0.0012","90","","94.385","0.002","90","","1579.22","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Fe N O2 -","- C19 H19 Fe N O2 -","- C76 H76 Fe4 N4 O8 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0848","0.0804","","","0.1996","0.2027","","","","","","1.04","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059971","8.8495","0.0002","5.0583","0.0001","16.2521","0.0003","90","","102.686","0.002","90","","709.74","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0417","0.0396","","","0.0962","0.0972","","","","","","1.095","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7059972","4.98087","0.00004","14.0357","0.00014","11.32877","0.00011","90","","94.4463","0.0008","90","","789.611","0.013","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 N3 O3 -","- C19 H13 N3 O3 -","- C38 H26 N6 O6 -","2","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0785","0.0791","","","","","","1.064","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7059973","8.3646","0.0002","22.9273","0.0006","9.4978","0.0002","90","","110.706","0.003","90","","1703.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N4 O5 -","- C19 H12 N4 O5 -","- C76 H48 N16 O20 -","4","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0717","0.0611","","","0.1674","0.1757","","","","","","1.06","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7059974","18.541","0.004","11.086","0.002","7.6415","0.0016","90","","101.055","0.003","90","","1541.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 S6 -","- C12 H12 N2 S6 -","- C48 H48 N8 S24 -","4","1","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Gao, Feng","Stabilization and isolation of radical cation and dication salts of a tetrathiafulvalene derivative functionalized with amino groups","New Journal of Chemistry","2020","44","39","16959","16964","10.1039/D0NJ04033A","","","0.71073","MoKα","","0.0463","0.0379","","","0.1128","0.1191","","","","","","1.066","","","","has coordinates","258913","2020-11-06","12:46:31",""
"7059975","11.4155","0.0015","21.743","0.003","18.958","0.002","90","","90.048","0.002","90","","4705.5","1","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 Al F36 N2 O4 S6 -","- C28 H12 Al F36 N2 O4 S6 -","- C112 H48 Al4 F144 N8 O16 S24 -","4","1","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Gao, Feng","Stabilization and isolation of radical cation and dication salts of a tetrathiafulvalene derivative functionalized with amino groups","New Journal of Chemistry","2020","44","39","16959","16964","10.1039/D0NJ04033A","","","0.71073","MoKα","","0.136","0.1093","","","0.2404","0.2568","","","","","","1.162","","","","has coordinates,has disorder","258913","2020-11-06","12:46:31",""
"7059976","11.8303","0.0017","16.083","0.002","20.14","0.003","93.018","0.002","102.528","0.002","102.004","0.002","3639.7","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H12 Al2 F72 N2 O8 S6 -","- C44.012 H12 Al2 F72.027 N2 O8.0012 S6 -","- C88.024 H24 Al4 F144.054 N4 O16.0024 S12 -","2","1","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Gao, Feng","Stabilization and isolation of radical cation and dication salts of a tetrathiafulvalene derivative functionalized with amino groups","New Journal of Chemistry","2020","44","39","16959","16964","10.1039/D0NJ04033A","","","0.71073","MoKα","","0.0975","0.0805","","","0.2369","0.2624","","","","","","1.03","","","","has coordinates,has disorder","258913","2020-11-06","12:46:31",""
"7059977","17.0468","0.0002","8.4872","0.0001","15.8299","0.0002","90","","107.754","0.001","90","","2181.19","0.05","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl2 N3 Ni -","- C22 H29 Cl2 N3 Ni -","- C88 H116 Cl8 N12 Ni4 -","4","1","","Li, Jiaxin; Ma, Yanping; Hu, Xinquan; Flisak, Zygmunt; Tongling, Liang; Sun, Wen-Hua","2-(N,N-Diethylaminomethyl)-6,7-trihydroquinolinyl-8-ylideneamine-Ni(ii) chlorides: application in ethylene dimerization and trimerization","New Journal of Chemistry","2020","44","39","17047","17052","10.1039/D0NJ04003G","","x-ray","1.54184","CuKα","","0.0391","0.0328","","","0.088","0.1124","","","","","","1.145","","","","has coordinates","258910","2020-11-06","12:45:48",""
"7059978","9.5112","0.0002","10.9618","0.0003","12.9408","0.0002","94.937","0.002","95.575","0.001","92.089","0.002","1336.48","0.05","170","0.11","170","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Cl2 N3 Ni -","- C26 H37 Cl2 N3 Ni -","- C52 H74 Cl4 N6 Ni2 -","2","1","","Li, Jiaxin; Ma, Yanping; Hu, Xinquan; Flisak, Zygmunt; Tongling, Liang; Sun, Wen-Hua","2-(N,N-Diethylaminomethyl)-6,7-trihydroquinolinyl-8-ylideneamine-Ni(ii) chlorides: application in ethylene dimerization and trimerization","New Journal of Chemistry","2020","44","39","17047","17052","10.1039/D0NJ04003G","","x-ray","1.54184","CuKα","","0.0339","0.0293","","","0.0782","0.0886","","","","","","1.112","","","","has coordinates","258910","2020-11-06","12:45:51",""
"7059979","9.2341","0.0009","11.7296","0.0011","11.7828","0.0011","107.239","0.001","95.632","0.001","92.735","0.001","1209","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H20 Ag4 F24 N12 -","- C44 H20 Ag4 F24 N12 -","- C44 H20 Ag4 F24 N12 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","x-ray","0.71073","MoKα","","0.0361","0.0315","","","0.0763","0.0805","","","","","","1.027","","","","has coordinates","258911","2020-11-06","12:46:08",""
"7059980","12.1451","0.0013","13.5207","0.0014","20.327","0.003","92.125","0.005","96.546","0.006","103.553","0.011","3216.8","0.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H36 Ag4 F24 N14 -","- C63 H36 Ag4 F24 N14 -","- C126 H72 Ag8 F48 N28 -","2","1","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0497","0.0385","","","0.0904","0.0973","","","","","","1.046","","","","has coordinates,has disorder","258911","2020-11-06","12:46:11",""
"7059981","9.771","0.003","12.915","0.005","15.031","0.005","113.919","0.003","91.759","0.004","107.231","0.004","1631.2","1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C27 H11 Ag3 F18 N8 -","- C27 H11 Ag3 F18 N8 -","- C54 H22 Ag6 F36 N16 -","2","2","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0318","0.0315","","","0.0829","0.0833","","","","","","1.043","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059982","7.9948","0.0016","9.2604","0.0019","10.149","0.002","95.903","0.003","99.779","0.003","113.145","0.002","668.8","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Ag2 F12 N8 -","- C22 H18 Ag2 F12 N8 -","- C22 H18 Ag2 F12 N8 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0226","0.0218","","","0.0561","0.0568","","","","","","1.036","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059983","11.344","0.002","11.818","0.002","11.899","0.002","114.407","0.002","108.836","0.002","96.696","0.002","1315.7","0.4","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H16 Ag4 Br4 F24 N12 -","- C44 H16 Ag4 Br4 F24 N12 -","- C44 H16 Ag4 Br4 F24 N12 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0408","0.0378","","","0.1028","0.1057","","","","","","1.065","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059984","11.2824","0.001","11.813","0.001","11.8889","0.001","115.407","0.001","109.115","0.001","96.329","0.001","1292.7","0.19","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H16 Ag4 Cl4 F24 N12 -","- C44 H16 Ag4 Cl4 F24 N12 -","- C44 H16 Ag4 Cl4 F24 N12 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0314","0.029","","","0.0746","0.077","","","","","","1.056","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059985","20.7755","0.0003","8.7032","0.0001","22.9649","0.0004","90","","90","","90","","4152.36","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl N3 O2 -","- C8 H14 Cl N3 O2 -","- C128 H224 Cl16 N48 O32 -","16","2","","Karavaizoglu, Ufuk Nusret; Salamci, Emine","An efficient synthesis of chloro-aminocyclooctanediol and aminocyclooctanetriol: an unexpected acetolysis product","New Journal of Chemistry","2020","44","41","17976","17983","10.1039/D0NJ02697B","","","0.71073","MoKα","","0.0525","0.0434","","","0.1065","0.1143","","","","","","1.051","","","","has coordinates","258895","2020-11-06","12:42:45",""
"7059986","12.7747","0.0004","12.7747","0.0004","20.7228","0.0011","90","","90","","90","","3381.8","0.2","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H21 N3 O6 -","- C14 H21 N3 O6 -","- C112 H168 N24 O48 -","8","1","","Karavaizoglu, Ufuk Nusret; Salamci, Emine","An efficient synthesis of chloro-aminocyclooctanediol and aminocyclooctanetriol: an unexpected acetolysis product","New Journal of Chemistry","2020","44","41","17976","17983","10.1039/D0NJ02697B","","","0.71073","MoKα","","0.0567","0.0442","","","0.1021","0.1073","","","","","","1.067","","","","has coordinates","258895","2020-11-06","12:42:45",""
"7059987","10.2089","0.0003","10.2089","0.0003","26.3489","0.001","90","","90","","120","","2378.21","0.13","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C36 H30 Cl Cu N3 P -","- C36 H30 Cl Cu N3 P -","- C108 H90 Cl3 Cu3 N9 P3 -","3","1","","Kumari, Sheela; Ratnam, Anand; Mawai, Kiran; Chaudhary, Virendra Kumar; Mohanty, Aurobinda; Ghosh, Kaushik","Cu(i) based catalysts derived from bidentate ligands and studies on the effect of substituents for N-arylation of benzimidazoles and indoles","New Journal of Chemistry","2020","44","45","19591","19597","10.1039/D0NJ02568B","","","0.71073","MoKα","","0.0365","0.0336","","","0.071","0.072","","","","","","1.03","","","","has coordinates","259618","2020-12-06","14:33:22",""
"7059988","13.68995","0.00014","13.39392","0.00017","31.9706","0.0004","90","","90","","90","","5862.2","0.12","291.49","0.1","291.49","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 N O6 -","- C33 H33 N O6 -","- C264 H264 N8 O48 -","8","1","","Zhang, Wei-jing; Lin, Xin-cen; Li, Feng; Huang, Zhen-jie; Gong, Cheng-bin; Tang, Qian","Multicolored electrochromic and electrofluorochromic materials containing triphenylamine and benzoates","New Journal of Chemistry","2020","44","38","16412","16420","10.1039/D0NJ03666H","","x-ray","1.54184","CuKα","","0.0559","0.0489","","","0.123","0.1299","","","","","","1.042","","","","has coordinates","258939","2020-11-06","12:51:44",""
"7059989","6.3611","0.0005","4.6432","0.0004","30.859","0.002","90","","94.213","0.003","90","","908.98","0.12","107","2","107.49","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Nandi, Sujay Kumar; Haldar, Debasish","1-m-Nitrobenzoyl semicarbazide: reversible colorimetric cascade indicators for fluoride and moisture","New Journal of Chemistry","2020","44","40","17523","17530","10.1039/D0NJ03769A","","","0.71073","MoKα","","0.0877","0.0593","","","0.1406","0.1605","","","","","","1.035","","","","has coordinates","258917","2020-11-06","12:47:21",""
"7059990","17.4273","0.0005","13.5792","0.0004","27.8866","0.0008","90","","98.456","0.001","90","","6527.6","0.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H63 Cl2 Ir2 N12 O8 S2 -","- C70 H63 Cl2 Ir2 N12 O8 S2 -","- C280 H252 Cl8 Ir8 N48 O32 S8 -","4","1","","Bhat, Satish S.; S., Naveen; Revankar, Vidyanand K.; Lokanath, N. K.; Pinjari, Rahul V.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization and biological properties of cyclometalated iridium(iii) complexes containing [1,2,5]-thiadiazolo-[3,4-f]-[1,10]-phenanthroline","New Journal of Chemistry","2020","44","40","17442","17452","10.1039/D0NJ03421E","","","1.54178","CuKα","","0.056","0.0499","","","0.1428","0.1545","","","","","","1.122","","","","has coordinates","258918","2020-11-06","12:47:30",""
"7059991","19.775","0.0006","17.4755","0.0006","22.2462","0.0007","90","","90","","90","","7687.8","0.4","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H28 Cl Ir N8 O4 S -","- C42 H28 Cl Ir N8 O4 S -","- C336 H224 Cl8 Ir8 N64 O32 S8 -","8","1","","Bhat, Satish S.; S., Naveen; Revankar, Vidyanand K.; Lokanath, N. K.; Pinjari, Rahul V.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization and biological properties of cyclometalated iridium(iii) complexes containing [1,2,5]-thiadiazolo-[3,4-f]-[1,10]-phenanthroline","New Journal of Chemistry","2020","44","40","17442","17452","10.1039/D0NJ03421E","","","1.54178","CuKα","","0.0845","0.0775","","","0.2033","0.2148","","","","","","1.067","","","","has coordinates","258918","2020-11-06","12:47:31",""
"7059992","22.064","0.009","5.688","0.002","16.512","0.007","90","","105.246","0.004","90","","1999.3","1.4","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C112 H72 S8 -","4","0.5","","Yin, Fan; Wang, Long; Yang, Xiankai; Liu, Meihui; Geng, Hua; Liao, Yi; Liao, Qing; Fu, Hongbing","High performance single-crystalline organic field-effect transistors based on molecular-modified dibenzo[a,e]pentalenes derivatives","New Journal of Chemistry","2020","44","40","17552","17557","10.1039/D0NJ03297B","","","0.71073","MoKα","","0.0631","0.0587","","","0.1305","0.133","","","","","","1.177","","","","has coordinates,has disorder","258915","2020-11-06","12:47:07",""
"7059993","33.516","0.003","13.4848","0.0009","16.0485","0.0019","90","","127.892","0.017","90","","5724","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cd1.5 N5 O8 -","- C25 H20 Cd1.5 N5 O8 -","- C200 H160 Cd12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","0.71073","MoKα","","0.0692","0.0461","","","0.1172","0.1315","","","","","","1.048","","","","has coordinates,has disorder","258897","2020-11-06","12:43:17",""
"7059994","15.0379","0.0009","13.8407","0.0007","26.5035","0.001","90","","101.131","0.005","90","","5412.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 Co1.5 N5 O8 -","- C25 H20 Co1.5 N5 O8 -","- C200 H160 Co12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.0748","0.0603","","","0.1634","0.1749","","","","","","1.031","","","","has coordinates","258897","2020-11-06","12:43:25",""
"7059995","15.3323","0.0017","13.626","0.0006","26.3724","0.0013","90","","99.996","0.005","90","","5426","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25 H20 N5 O8 Zn1.5 -","- C25 H20 N5 O8 Zn1.5 -","- C200 H160 N40 O64 Zn12 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.0568","0.049","","","0.1265","0.1357","","","","","","1.069","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7059996","15.2474","0.0011","13.5792","0.0011","26.1965","0.0013","90","","100.068","0.006","90","","5340.4","0.6","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 N5 Ni1.5 O8 -","- C25 H20 N5 Ni1.5 O8 -","- C200 H160 N40 Ni12 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.1185","0.0738","","","0.2041","0.2479","","","","","","1.025","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7059997","15.006","0.0011","14.1267","0.0008","26.9845","0.0015","90","","102.14","0.006","90","","5592.4","0.6","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 Mn1.5 N5 O8 -","- C25 H20 Mn1.5 N5 O8 -","- C200 H160 Mn12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.1382","0.0905","","","0.2521","0.3165","","","","","","1.189","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7059999","7.7102","0.0006","26.796","0.002","12.9661","0.001","90","","98.888","0.003","90","","2646.7","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Br2 Cl6 Mo2 N6 O6 S4 -","- C42 H32 Br2 Cl6 Mo2 N6 O6 S4 -","- C84 H64 Br4 Cl12 Mo4 N12 O12 S8 -","2","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.1296","0.061","","","0.1495","0.177","","","","","","1.036","","","","has coordinates","258940","2020-11-06","12:51:54",""
"7060000","7.845","0.006","10.096","0.008","15.635","0.012","80.063","0.008","84.016","0.008","76.674","0.009","1184.2","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Br2 Mo2 N8 O6 S4 -","- C44 H36 Br2 Mo2 N8 O6 S4 -","- C44 H36 Br2 Mo2 N8 O6 S4 -","1","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.0499","0.0354","","","0.0804","0.0872","","","","","","1.013","","","","has coordinates","258940","2020-11-06","12:51:54",""
"7060001","11.0645","0.001","11.1077","0.0014","13.1366","0.0013","69.636","0.01","65.582","0.009","66.708","0.01","1317","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H34 Br2 Cl6 Mo2 N6 O6 S4 -","- C44 H34 Br2 Cl6 Mo2 N6 O6 S4 -","- C44 H34 Br2 Cl6 Mo2 N6 O6 S4 -","1","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.1168","0.0695","","","0.1052","0.1238","","","","","","0.981","","","","has coordinates,has disorder","258940","2020-11-06","12:51:54",""
"7060002","12.3179","0.0006","6.6907","0.0003","31.3842","0.0014","90","","100.576","0.002","90","","2542.6","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C43 H36 Br2 Mo2 N6 O6 S4 -","- C43 H36 Br2 Mo2 N6 O6 S4 -","- C86 H72 Br4 Mo4 N12 O12 S8 -","2","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.058","0.0385","","","0.0872","0.0946","","","","","","1.019","","","","has coordinates","258940","2020-11-06","12:51:54",""
"7060003","7.0583","0.0005","8.7624","0.0006","22.0421","0.0014","90","","90","","90","","1363.25","0.16","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- Cl6 F H12 N5 O Pt Ru -","- Cl6 F H12 N5 O Pt Ru -","- Cl24 F4 H48 N20 O4 Pt4 Ru4 -","4","1","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Sukhikh, Aleksandr S.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes","New Journal of Chemistry","2020","44","41","18014","18024","10.1039/D0NJ04436A","","","0.71073","MoKα","","0.0329","0.0251","","","0.034","0.0359","","","","","","1.056","","","","has coordinates","258899","2020-11-06","12:43:42",""
"7060004","8.0038","0.0005","11.8995","0.0005","13.8054","0.0008","70.72","0.002","86.091","0.002","88.04","0.002","1238.12","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Cl2 F H12 N5 O9 Ru -","- Cl2 F H12 N5 O9 Ru -","- Cl8 F4 H48 N20 O36 Ru4 -","4","2","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Sukhikh, Aleksandr S.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes","New Journal of Chemistry","2020","44","41","18014","18024","10.1039/D0NJ04436A","","","0.71073","MoKα","","0.0586","0.0385","","","0.0988","0.1088","","","","","","1.08","","","","has coordinates","258899","2020-11-06","12:43:42",""
"7060005","11.61","0.003","14.082","0.004","20.183","0.006","99.021","0.005","94.705","0.005","110.29","0.005","3023.4","1.5","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Cu Mo12 N15 O42 P -","- C30 H35 Cu Mo12 N15 O42 P -","- C60 H70 Cu2 Mo24 N30 O84 P2 -","2","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0918","0.0563","","","0.133","0.1555","","","","","","1.027","","","","has coordinates","258896","2020-11-06","12:43:01",""
"7060006","16.31","0.005","21.462","0.005","22.041","0.005","90","","101.026","0.005","90","","7573","3","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Cu4 N12 O46.5 Si W12 -","- C36 H45 Cu4 N12 O46.5 Si W12 -","- C144 H180 Cu16 N48 O186 Si4 W48 -","4","0.5","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71069","MoKα","","0.0661","0.0387","","","0.0935","0.1056","","","","","","1.016","","","","has coordinates,has disorder","258896","2020-11-06","12:43:01",""
"7060007","16.5772","0.001","20.5702","0.001","20.9666","0.0011","90","","90","","90","","7149.5","0.7","296.15","","296.15","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C36 H41 Cl Cu3 N18 O43 Si W12 -","- C36 H41 Cl Cu3 N18 O43 Si W12 -","- C144 H164 Cl4 Cu12 N72 O172 Si4 W48 -","4","0.25","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0615","0.034","","","0.0624","0.0709","","","","","","1.072","","","","has coordinates,has disorder","258896","2020-11-06","12:43:01",""
"7060008","11.6599","0.001","14.124","0.0012","20.5224","0.0018","98.765","0.002","95.235","0.002","110.197","0.002","3096.9","0.5","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H37 Cu N15 O43 P W12 -","- C30 H37 Cu N15 O43 P W12 -","- C60 H74 Cu2 N30 O86 P2 W24 -","2","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0923","0.0487","","","0.0795","0.093","","","","","","0.984","","","","has coordinates","258896","2020-11-06","12:43:01",""
"7060009","15.9377","0.0009","15.5396","0.0008","21.5233","0.0012","90","","109.338","0.001","90","","5029.8","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cu Mo12 N8 O41 P -","- C20 H26.9998 Cu Mo12 N8 O41 P -","- C80 H107.999 Cu4 Mo48 N32 O164 P4 -","4","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0379","0.0299","","","0.0646","0.0689","","","","","","1.153","","","","has coordinates,has disorder","258896","2020-11-06","12:43:01",""
"7060010","5.15876","0.00006","20.4115","0.0003","16.5822","0.0002","90","","96.4856","0.0012","90","","1734.9","0.04","100","2","100","2","","","","","","","Pyrene","4","P 1 21/c 1","-P 2ybc","14","","5-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)pyren-4(5H)-one","","- C21 H14 O S4 -","- C21 H14 O S4 -","- C84 H56 O4 S16 -","4","1","","Shahrokhi, Farshid; Fazli Estabragh, Roxana; Zhao, Yuming","Synthesis and comparative studies of K-region functionalized pyrene derivatives","New Journal of Chemistry","2020","44","39","16786","16794","10.1039/D0NJ03897K","","x-ray","1.54184","CuKα","","0.0427","0.0391","","","0.1045","0.1067","","","","","","1.032","","","","has coordinates","258909","2020-11-06","12:45:32",""
"7060011","3.88283","0.00004","18.7525","0.00017","17.4959","0.0002","90","","92.4372","0.001","90","","1272.77","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(dibromomethylene)pyren-4(5H)-one","","- C17 H8 Br2 O -","- C17 H8 Br2 O -","- C68 H32 Br8 O4 -","4","1","","Shahrokhi, Farshid; Fazli Estabragh, Roxana; Zhao, Yuming","Synthesis and comparative studies of K-region functionalized pyrene derivatives","New Journal of Chemistry","2020","44","39","16786","16794","10.1039/D0NJ03897K","","x-ray","1.54184","CuKα","","0.0303","0.0277","","","0.072","0.0736","","","","","","1.088","","","","has coordinates","258909","2020-11-06","12:45:32",""
"7060012","14.9879","0.0007","4.967","0.0001","18.9991","0.0007","90","","105.932","0.004","90","","1360.06","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ethyl 5-hydroxypyrene-4-carboxylate","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Shahrokhi, Farshid; Fazli Estabragh, Roxana; Zhao, Yuming","Synthesis and comparative studies of K-region functionalized pyrene derivatives","New Journal of Chemistry","2020","44","39","16786","16794","10.1039/D0NJ03897K","","x-ray","1.54184","CuKα","","0.071","0.0641","","","0.1896","0.1968","","","","","","1.081","","","","has coordinates","258909","2020-11-06","12:45:32",""
"7060013","8.1386","0.0001","23.0128","0.0004","12.3047","0.0002","90","","96.063","0.001","90","","2291.68","0.06","180.15","","180.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N7 O Pd S4 -","- C15 H19 Cl2 N7 O Pd S4 -","- C60 H76 Cl8 N28 O4 Pd4 S16 -","4","1","","Heidari, Leila; Ghassemzadeh, Mitra; Fenske, Dieter; Fuhr, Olaf; Saeidifar, Maryam; Mohsenzadeh, Farshid","Unprecedented palladium(ii) complex containing dipodal 1,3,4-thiadiazole derivatives: synthesis, structure, and biological and thermal investigations","New Journal of Chemistry","2020","44","39","16769","16775","10.1039/D0NJ02918A","","x-ray","1.34143","GaKα","","0.0301","0.0279","","","0.0756","0.077","","","","","","1.024","","","","has coordinates","258914","2020-11-06","12:46:38",""
"7060014","14.4727","0.0006","19.6943","0.0009","16.4655","0.0007","90","","90.532","0.002","90","","4693","0.4","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H95 Gd6 N11 O34 -","- C62 H78 Gd6 N8 O32 -","- C124 H156 Gd12 N16 O64 -","2","0.5","","Wang, Wen-Min; Xue, Cai-Long; Jing, Ru-Yi; Ma, Xin; Yang, Lu-Na; Luo, Shu-Chang; Wu, Zhi-Lei","Two hexanuclear lanthanide Ln6III clusters featuring remarkable magnetocaloric effect and slow magnetic relaxation behavior","New Journal of Chemistry","2020","44","41","18025","18030","10.1039/D0NJ03442H","","","0.71073","MoKα","","0.0531","0.0367","","","0.0901","0.0998","","","","","","1.049","","","","has coordinates","258900","2020-11-06","12:43:50",""
"7060015","14.2565","0.0006","14.3411","0.0007","14.4407","0.0007","91.697","0.003","114.999","0.002","116.737","0.002","2300","0.2","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H95 Dy6 N11 O34 -","- C62 H78 Dy6 N8 O32 -","- C62 H78 Dy6 N8 O32 -","1","0.5","","Wang, Wen-Min; Xue, Cai-Long; Jing, Ru-Yi; Ma, Xin; Yang, Lu-Na; Luo, Shu-Chang; Wu, Zhi-Lei","Two hexanuclear lanthanide Ln6III clusters featuring remarkable magnetocaloric effect and slow magnetic relaxation behavior","New Journal of Chemistry","2020","44","41","18025","18030","10.1039/D0NJ03442H","","","0.71073","MoKα","","0.057","0.0404","","","0.1034","0.1134","","","","","","1.041","","","","has coordinates,has disorder","258900","2020-11-06","12:43:51",""
"7060016","8.639","0.002","14.006","0.004","8.727","0.003","90","","90","","90","","1055.9","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","","Poojith, Nuthalapati; Potla, Krishna Murthy; Osório, Francisco A. P.; Valverde, Clodoaldo; Vankayalapati, Suneetha; Suchetan, P. A.; Raja, M.","Y-shaped potential third-order nonlinear optical material ‒ 3-(2-amino-2-oxoethyl)-5-methyl hexanoic acid: an analysis of structural, spectroscopic and docking studies","New Journal of Chemistry","2020","44","42","18185","18198","10.1039/D0NJ02658A","","","0.71073","MoKα","","0.1609","0.0833","","","0.2027","0.2546","","","","","","1.027","","","","has coordinates","258901","2020-11-06","12:44:05",""
"7060017","22.5056","0.0013","9.8715","0.0004","20.6103","0.0009","90","","116.551","0.002","90","","4096","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 B2 F8 Fe4 N3 S2 -","- C38 H41 B2 F8 Fe4 N3 S2 -","- C152 H164 B8 F32 Fe16 N12 S8 -","4","1","","Huang, Yen-Chung; Lan, Wan-Yu; Ching, Wei-Min; Hsu, Sodio C. N.","Formation of iron(iii)‒thiolate metallocyclophane using a ferrocene-based bis-isocyanide","New Journal of Chemistry","2020","44","42","18242","18249","10.1039/D0NJ03967E","","","0.71073","MoKα","","0.1469","0.0926","","","0.2032","0.2372","","","","","","1.028","","","","has coordinates,has disorder","258902","2020-11-06","12:44:14",""
"7060018","9.076","0.005","8.347","0.004","13.309","0.009","90","","108.19","0.02","90","","957.9","1","199.99","","199.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Fe N2 O -","- C12 H10 Fe N2 O -","- C48 H40 Fe4 N8 O4 -","4","0.5","","Huang, Yen-Chung; Lan, Wan-Yu; Ching, Wei-Min; Hsu, Sodio C. N.","Formation of iron(iii)‒thiolate metallocyclophane using a ferrocene-based bis-isocyanide","New Journal of Chemistry","2020","44","42","18242","18249","10.1039/D0NJ03967E","","","0.71073","MoKα","","0.0979","0.0736","","","0.1978","0.2183","","","","","","1.199","","","","has coordinates,has disorder","258902","2020-11-06","12:44:14",""
"7060019","10.1086","0.0003","10.8254","0.0003","28.7588","0.0007","90","","94.881","0.001","90","","3135.65","0.15","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B2 F8 Fe3 N2 S2 -","- C28 H32 B2 F8 Fe3 N2 S2 -","- C112 H128 B8 F32 Fe12 N8 S8 -","4","1","","Huang, Yen-Chung; Lan, Wan-Yu; Ching, Wei-Min; Hsu, Sodio C. N.","Formation of iron(iii)‒thiolate metallocyclophane using a ferrocene-based bis-isocyanide","New Journal of Chemistry","2020","44","42","18242","18249","10.1039/D0NJ03967E","","","0.71073","MoKα","","0.0581","0.049","","","0.1222","0.1312","","","","","","1.019","","","","has coordinates","258902","2020-11-06","12:44:14",""
"7060020","11.5185","0.0017","10.026","0.0015","14.789","0.002","90","","94.878","0.007","90","","1701.7","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N16 O2 Zn2 -","- C28 H40 N16 O2 Zn2 -","- C56 H80 N32 O4 Zn4 -","2","0.5","","Das, Manik; Mukherjee, Somali; Koley, Biplab; Choudhuri, Indranil; Bhattacharyya, Nandan; Roy, Pritam; Samanta, Bidhan Chandra; Barai, Manas; Maity, Tithi","Developing novel zinc(ii) and copper(ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and anticancer activity","New Journal of Chemistry","2020","44","42","18347","18361","10.1039/D0NJ03844J","","","0.71073","MoKα","","0.0447","0.03","","","0.0736","0.0831","","","","","","1.041","","","","has coordinates","258904","2020-11-06","12:44:42",""
"7060021","11.1959","0.0003","11.1959","0.0003","48.749","0.003","90","","90","","90","","6110.6","0.4","296","2","296.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H19 Cu N5 O -","- C14 H19 Cu N5 O -","- C224 H304 Cu16 N80 O16 -","16","2","","Das, Manik; Mukherjee, Somali; Koley, Biplab; Choudhuri, Indranil; Bhattacharyya, Nandan; Roy, Pritam; Samanta, Bidhan Chandra; Barai, Manas; Maity, Tithi","Developing novel zinc(ii) and copper(ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and anticancer activity","New Journal of Chemistry","2020","44","42","18347","18361","10.1039/D0NJ03844J","","","0.71073","MoKα","","0.1007","0.0425","","","0.0791","0.1031","","","","","","1.058","","","","has coordinates","258904","2020-11-06","12:44:43",""
"7060022","10.7418","0.0004","11.1986","0.0004","11.7876","0.0005","62.45","0.002","75.279","0.002","88.851","0.002","1208.03","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","AG5-3","","- C27 H20 P2 S3 -","- C27 H20 P2 S3 -","- C54 H40 P4 S6 -","2","1","","Gese, A.; Akter, M.; Schnakenburg, G.; García Alcaraz, A.; Espinosa Ferao, A.; Streubel, R.","P-Functionalized tetrathiafulvalenes from 1,3-dithiole-2-thiones?","New Journal of Chemistry","2020","44","39","17122","17128","10.1039/D0NJ02984J","","x-ray","1.54178","CuKα","","0.0452","0.0408","","","0.1103","0.1142","","","","","","1.035","","","","has coordinates","258907","2020-11-06","12:45:06",""
"7060023","8.9993","0.0005","21.0026","0.0009","9.2456","0.0005","90","","118.641","0.004","90","","1533.68","0.15","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AG-174-8","","- C15 H11 O P S3 -","- C15 H11 O P S3 -","- C60 H44 O4 P4 S12 -","4","1","","Gese, A.; Akter, M.; Schnakenburg, G.; García Alcaraz, A.; Espinosa Ferao, A.; Streubel, R.","P-Functionalized tetrathiafulvalenes from 1,3-dithiole-2-thiones?","New Journal of Chemistry","2020","44","39","17122","17128","10.1039/D0NJ02984J","","","0.71073","MoKα","","0.0381","0.0267","","","0.0656","0.0677","","","","","","0.94","","","","has coordinates","258907","2020-11-06","12:45:07",""
"7060024","72.7","0.003","7.1925","0.0003","6.0961","0.0003","90","","90","","90","","3187.6","0.2","123","","123","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C39 H40 O4 -","- C39 H40 O4 -","- C156 H160 O16 -","4","0.5","","Arakawa, Yuki; Sasaki, Shunsuke; Igawa, Kazunobu; Tokita, Masatoshi; Konishi, Gen-ichi; Tsuji, Hideto","Birefringence and photoluminescence properties of diphenylacetylene-based liquid crystal dimers","New Journal of Chemistry","2020","44","40","17531","17541","10.1039/D0NJ04426A","","","1.54187","CuKα","","0.0548","0.0455","","","0.0897","0.0934","","","","","","1.085","","","","has coordinates","258916","2020-11-06","12:47:15",""
"7060025","7.4224","0.0012","14.193","0.002","17.094","0.003","99.987","0.006","100.884","0.006","103.517","0.006","1674.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O10 P2 -","- C28 H36 N2 O10 P2 -","- C56 H72 N4 O20 P4 -","2","1","","Imrankhan, Mohammed; Shivashankar, Kalegowda","Iodine catalyzed one-pot four component synthesis of coumarinyl phosphoramidates via sequential addition of reactants","New Journal of Chemistry","2020","44","43","18573","18578","10.1039/D0NJ04445H","","","0.71073","MoKα","","0.1576","0.1381","","","0.418","0.4399","","","","","","1.949","","","","has coordinates","259615","2020-12-06","14:32:11",""
"7060026","15.517","0.003","18.889","0.004","15.309","0.003","90","","112.25","0.03","90","","4153","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 Fe I N O8 P2 -","- C43 H40 Fe I N O8 P2 -","- C172 H160 Fe4 I4 N4 O32 P8 -","4","1","","Song, Li-Cheng; Chen, Wei; Zhu, Liang; Hu, Fu-Qiang; Jiang, Kai-Yu","Synthesis, characterization, and some properties of two types of new [Fe]-H2ase models containing a 4-phosphatopyridine or a 4-phosphatoguanosinepyridine moiety","New Journal of Chemistry","2020","44","42","18496","18507","10.1039/D0NJ04194G","","","0.71073","MoKα","","0.0783","0.063","","","0.1377","0.1472","","","","","","1.167","","","","has coordinates","258906","2020-11-06","12:44:59",""
"7060027","8.2237","0.0004","10.2873","0.0005","11.9807","0.0005","94.416","0.004","100.835","0.004","107.189","0.004","941.49","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Fe N2 O6 S -","- C18 H20 Fe N2 O6 S -","- C36 H40 Fe2 N4 O12 S2 -","2","1","","Song, Li-Cheng; Chen, Wei; Zhu, Liang; Hu, Fu-Qiang; Jiang, Kai-Yu","Synthesis, characterization, and some properties of two types of new [Fe]-H2ase models containing a 4-phosphatopyridine or a 4-phosphatoguanosinepyridine moiety","New Journal of Chemistry","2020","44","42","18496","18507","10.1039/D0NJ04194G","","x-ray","0.71073","MoKα","","0.0308","0.0286","","","0.0731","0.0744","","","","","","1.034","","","","has coordinates","258906","2020-11-06","12:44:59",""
"7060028","12.9853","0.0014","15.2882","0.0017","15.6326","0.0016","92.521","0.004","110.391","0.004","113.893","0.004","2596.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H108 I8 Mo6 N20 O24 -","- C68 H108 I8 Mo6 N20 O24 -","- C68 H108 I8 Mo6 N20 O24 -","1","0.5","","Mironova, Alina D.; Mikhailov, Maksim A.; Brylev, Konstantin A.; Gushchin, Artem L.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","Phosphorescent complexes of {Mo6I8}4+ with triazolates: [2+3] cycloaddition of alkynes to [Mo6I8(N3)6]2−","New Journal of Chemistry","2020","44","47","20620","20625","10.1039/D0NJ04259E","","","0.71073","MoKα","","0.0581","0.0347","","","0.0815","0.0948","","","","","","1.032","","","","has coordinates,has disorder","260803","2021-01-07","06:48:29",""
"7060029","8.5498","0.0002","12.3492","0.0004","16.6921","0.0005","90","","90","","90","","1762.41","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F6 N S -","- C18 H15 F6 N S -","- C72 H60 F24 N4 S4 -","4","1","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0566","0.043","","","0.1049","0.1096","","","","","","1.069","","","","has coordinates,has disorder","258905","2020-11-06","12:44:51",""
"7060030","16.2737","0.0004","14.3408","0.0003","9.2087","0.0002","90","","90","","90","","2149.11","0.08","90","0.2","90","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl6 N S Sb -","- C16 H17 Cl6 N S Sb -","- C64 H68 Cl24 N4 S4 Sb4 -","4","0.5","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0136","0.0129","","","0.0319","0.0322","","","","","","1.189","","","","has coordinates,has disorder","258905","2020-11-06","12:44:52",""
"7060031","19.1219","0.0005","20.2953","0.0005","13.6777","0.0003","90","","90","","90","","5308.1","0.2","90","0.2","90","0.2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H32 Cl14 F12 N2 S2 Sb2 -","- C37 H32 Cl14 F12 N2 S2 Sb2 -","- C148 H128 Cl56 F48 N8 S8 Sb8 -","4","0.5","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0601","0.033","","","0.0603","0.0679","","","","","","1.022","","","","has coordinates","258905","2020-11-06","12:44:52",""
"7060032","9.2759","0.0001","9.5607","0.0001","12.5247","0.0002","76.2187","0.0005","87.2025","0.0005","81.9614","0.0005","1068.03","0.02","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl6 N S Sb -","- C16 H17 Cl6 N S Sb -","- C32 H34 Cl12 N2 S2 Sb2 -","2","1","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0259","0.0227","","","0.0518","0.0539","","","","","","1.054","","","","has coordinates,has disorder","258905","2020-11-06","12:44:52",""
"7060033","8.222","0.0012","10.7213","0.0015","12.7485","0.0019","101.309","0.003","92.147","0.003","108.191","0.003","1041","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 Ni O6 -","- C22 H18 N4 Ni O6 -","- C44 H36 N8 Ni2 O12 -","2","1","","Olawale, Margaret D.; Obaleye, Joshua O.; Oladele, Ebenezer O.","Solvothermal synthesis and characterization of novel [Ni(ii)(Tpy)(Pydc)]·2H2O metal‒organic framework as an adsorbent for the uptake of caffeine drug from aqueous solution","New Journal of Chemistry","2020","44","43","18780","18791","10.1039/D0NJ04316H","","","0.71073","MoKα","","0.0746","0.0544","","","0.1119","","","","","","","1.0303","","","","has coordinates","259611","2020-12-06","14:31:47",""
"7060034","8.0871","0.0005","8.3785","0.0005","16.9875","0.001","98.318","0.003","91.468","0.003","105.343","0.003","1095.87","0.12","305","2","305.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N3 O4 S -","- C24 H23 N3 O4 S -","- C48 H46 N6 O8 S2 -","2","1","","Aydıner, Burcu; Şahin, Ömer; Çakmaz, Deniz; Kaplan, Gökhan; Kaya, Kerem; Özdemir, Ümmühan Özmen; Seferoğlu, Nurgül; Seferoğlu, Zeynel","A highly sensitive and selective fluorescent turn-on chemosensor bearing a 7-diethylaminocoumarin moiety for the detection of cyanide in organic and aqueous solutions","New Journal of Chemistry","2020","44","44","19155","19165","10.1039/D0NJ03003A","","","0.71073","MoKα","","0.0548","0.0391","","","0.0969","0.1079","","","","","","1.036","","","","has coordinates,has disorder","259609","2020-12-06","14:31:14",""
"7060035","7.6487","0.0014","8.7524","0.0014","20.607","0.003","94.791","0.007","100.141","0.007","109.862","0.007","1261.8","0.4","301","2","311.4","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N4 O3 S -","- C27 H30 N4 O3 S -","- C54 H60 N8 O6 S2 -","2","1","","Aydıner, Burcu; Şahin, Ömer; Çakmaz, Deniz; Kaplan, Gökhan; Kaya, Kerem; Özdemir, Ümmühan Özmen; Seferoğlu, Nurgül; Seferoğlu, Zeynel","A highly sensitive and selective fluorescent turn-on chemosensor bearing a 7-diethylaminocoumarin moiety for the detection of cyanide in organic and aqueous solutions","New Journal of Chemistry","2020","44","44","19155","19165","10.1039/D0NJ03003A","","","0.71073","MoKα","","0.0617","0.0463","","","0.1256","0.1364","","","","","","1.05","","","","has coordinates,has disorder","259609","2020-12-06","14:31:14",""
"7060036","8.479","0.0007","10.8451","0.0008","12.147","0.001","75.707","0.004","89.516","0.004","72.029","0.003","1026.82","0.14","304","2","303.8","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O3 S -","- C23 H21 N3 O3 S -","- C46 H42 N6 O6 S2 -","2","1","","Aydıner, Burcu; Şahin, Ömer; Çakmaz, Deniz; Kaplan, Gökhan; Kaya, Kerem; Özdemir, Ümmühan Özmen; Seferoğlu, Nurgül; Seferoğlu, Zeynel","A highly sensitive and selective fluorescent turn-on chemosensor bearing a 7-diethylaminocoumarin moiety for the detection of cyanide in organic and aqueous solutions","New Journal of Chemistry","2020","44","44","19155","19165","10.1039/D0NJ03003A","","","0.71073","MoKα","","0.0851","0.0457","","","0.1043","0.119","","","","","","1.0181","","","","has coordinates","259609","2020-12-06","14:31:14",""
"7060037","8.9999","0.0004","14.0341","0.0006","14.6499","0.0007","112.751","0.004","101.584","0.004","98.038","0.004","1622.47","0.15","290","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 N10 O4 Ru -","- C25 H22 Cl2 N8 O4 Ru -","- C50 H44 Cl4 N16 O8 Ru2 -","2","1","","Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath","Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO","New Journal of Chemistry","2020","44","43","18732","18744","10.1039/D0NJ03923C","","","0.71073","MoKα","","0.0639","0.0461","","","0.0956","0.1073","","","","","","1.008","","","","has coordinates,has disorder","259614","2020-12-06","14:32:06",""
"7060038","22.621","0.003","10.9659","0.0014","14.998","0.002","90","","102.13","0.016","90","","3637.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl3 N9 O13 Ru -","- C25 H22 Cl3 N9 O13 Ru -","- C100 H88 Cl12 N36 O52 Ru4 -","4","1","","Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath","Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO","New Journal of Chemistry","2020","44","43","18732","18744","10.1039/D0NJ03923C","","x-ray","0.71073","MoKα","","0.2722","0.1722","","","0.4224","0.4846","","","","","","1.168","","","","has coordinates","259614","2020-12-06","14:32:06",""
"7060039","16.07395","0.00018","16.71663","0.00017","20.7947","0.0002","90","","90","","90","","5587.58","0.1","290","","290","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28.571 H27.429 Cl1.143 N10.286 O8 Ru1.143 -","- C28.5714 H27.4286 Cl1.14286 N10.2857 O8 Ru1.14286 -","- C200 H192 Cl8 N72 O56 Ru8 -","7","0.875","","Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath","Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO","New Journal of Chemistry","2020","44","43","18732","18744","10.1039/D0NJ03923C","","x-ray","1.54184","CuKα","","0.0413","0.038","","","0.1037","0.1078","","","","","","1.049","","","","has coordinates","259614","2020-12-06","14:32:06",""
"7060040","21.587","0.004","22.499","0.005","40.093","0.008","89.68","0.03","80.68","0.03","73.87","0.03","18443","7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H222 Cl4.16 N120 O88 Y4 -","- C180 H222 Cl4.1664 N120 O88 Y4 -","- C360 H444 Cl8.3328 N240 O176 Y8 -","2","1","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71077","silicondoublecrystalmonochromatedsynchrotron","","0.1432","0.1037","","","0.3015","0.3386","","","","","","1.09","","","","has coordinates","258903","2020-11-06","12:44:33",""
"7060041","37.033","0.007","10.727","0.002","22.432","0.005","90","","125.08","0.03","90","","7292","4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H60 Cl10 La4.12 N40 O48 -","- C60 H60 Cl10 La4.125 N40 O48 -","- C120 H120 Cl20 La8.25 N80 O96 -","2","0.25","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0682","0.0649","","","0.1915","0.1958","","","","","","1.035","","","","has coordinates","258903","2020-11-06","12:44:34",""
"7060042","10.683","0.002","22.045","0.004","31.292","0.006","90","","90","","90","","7369","2","100","2","100","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C60 H60 Cl12 Gd5 N40 O40 -","- C60 H60 Cl12 Gd5 N40 O40 -","- C120 H120 Cl24 Gd10 N80 O80 -","2","0.125","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0895","0.0891","","","0.2892","0.2898","","","","","","1.163","","","","has coordinates","258903","2020-11-06","12:44:34",""
"7060043","33.038","0.007","21.726","0.004","21.221","0.004","90","","108.71","0.03","90","","14427","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Cl10 N40 O49 Y6 -","- C60 H64 Cl10 N40 O49 Y6 -","- C240 H256 Cl40 N160 O196 Y24 -","4","0.5","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71085","silicondoublecrystalmonochromatedsynchrotron","","0.1159","0.1081","","","0.308","0.3187","","","","","","1.104","","","","has coordinates,has disorder","258903","2020-11-06","12:44:34",""
"7060044","14.5006","0.0008","15.8759","0.0009","20.668","0.001","86.265","0.002","74.635","0.002","89.297","0.003","4578.1","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 N12 O33 Sm5 -","- C71 H85 N12 O30 Sm5 -","- C142 H170 N24 O60 Sm10 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0675","0.0411","","","0.0996","0.117","","","","","","1.006","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060045","14.2798","0.001","15.9898","0.001","20.7864","0.0014","77.62","0.003","76.363","0.003","89.378","0.003","4501.2","0.5","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 Ho5 N12 O33 -","- C71 H85 Ho5 N12 O30 -","- C142 H170 Ho10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0998","0.0547","","","0.1352","0.1629","","","","","","1.013","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060046","14.5063","0.0008","15.7926","0.0007","20.4639","0.0011","86.282","0.002","74.652","0.003","89.702","0.003","4511.1","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 N12 O33 Tb5 -","- C71 H85 N12 O30 Tb5 -","- C142 H170 N24 O60 Tb10 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0697","0.04","","","0.0932","0.1084","","","","","","1.039","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060047","14.4897","0.0008","15.7568","0.0008","20.4136","0.0009","86.306","0.002","74.723","0.002","89.679","0.002","4486.3","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 Dy5 N12 O33 -","- C71 H85 Dy5 N12 O30 -","- C142 H170 Dy10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0892","0.0566","","","0.123","0.1436","","","","","","1.015","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060048","14.5276","0.0009","15.8334","0.001","20.519","0.0012","86.122","0.003","74.422","0.003","89.583","0.003","4535.7","0.5","150","2","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H98 Cl4 Gd5 N12 O32 -","- C71 H86 Gd5 N12 O30 -","- C142 H172 Gd10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.1063","0.055","","","0.1367","0.1647","","","","","","1.037","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060049","14.5523","0.0008","15.8314","0.0008","20.5584","0.0011","86.228","0.002","74.555","0.003","89.491","0.003","4555.2","0.4","150","2","149.98","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 Eu5 N12 O33 -","- C71 H85 Eu5 N12 O30 -","- C142 H170 Eu10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0668","0.0409","","","0.0964","0.1117","","","","","","1.012","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060050","11.694","0.002","22.071","0.004","11.771","0.003","90","","92.765","0.014","90","","3034.5","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N7 O6 P3 -","- C26 H36 N7 O6 P3 -","- C104 H144 N28 O24 P12 -","4","1","","Kızılkaya, Perihan; Şenkuytu, Elif; Davarcı, Derya; Pala, Uğur; Ölçer, Zehra; Yenilmez Çiftçi, Gönül","Novel paraben derivatives of tetracyclic spermine cyclotriphosphazenes: synthesis, characterization and biosensor based DNA interaction analysis","New Journal of Chemistry","2020","44","43","18942","18953","10.1039/D0NJ03908J","","","0.71073","MoKα","","0.2374","0.0955","","","0.2204","0.293","","","","","","1.003","","","","has coordinates","259616","2020-12-06","14:32:18",""
"7060051","11.2161","0.0019","11.9881","0.0018","14.084","0.003","103.269","0.013","100.987","0.013","92.746","0.013","1801","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 N7 O6 P3 -","- C32 H48 N7 O6 P3 -","- C64 H96 N14 O12 P6 -","2","1","","Kızılkaya, Perihan; Şenkuytu, Elif; Davarcı, Derya; Pala, Uğur; Ölçer, Zehra; Yenilmez Çiftçi, Gönül","Novel paraben derivatives of tetracyclic spermine cyclotriphosphazenes: synthesis, characterization and biosensor based DNA interaction analysis","New Journal of Chemistry","2020","44","43","18942","18953","10.1039/D0NJ03908J","","","0.71073","MoKα","","0.1882","0.0861","","","0.1912","0.2448","","","","","","1.018","","","","has coordinates","259616","2020-12-06","14:32:18",""
"7060052","11.39","0.002","11.9524","0.0019","13.398","0.002","94.285","0.011","109.524","0.011","93.3","0.013","1707.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 N7 O6 P3 -","- C30 H44 N7 O6 P3 -","- C60 H88 N14 O12 P6 -","2","1","","Kızılkaya, Perihan; Şenkuytu, Elif; Davarcı, Derya; Pala, Uğur; Ölçer, Zehra; Yenilmez Çiftçi, Gönül","Novel paraben derivatives of tetracyclic spermine cyclotriphosphazenes: synthesis, characterization and biosensor based DNA interaction analysis","New Journal of Chemistry","2020","44","43","18942","18953","10.1039/D0NJ03908J","","","0.71073","MoKα","","0.0904","0.0558","","","0.1249","0.1424","","","","","","1.028","","","","has coordinates","259616","2020-12-06","14:32:18",""
"7060053","11.311","0.002","14.748","0.003","15.539","0.003","90","","109.92","0.03","90","","2437","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Dy N3 O7 -","- C22 H28 Dy N3 O7 -","- C88 H112 Dy4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0325","0.0273","","","0.063","0.0655","","","","","","1.101","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060054","9.0155","0.0018","10.725","0.002","11.835","0.002","89.52","0.03","86.23","0.03","77.98","0.03","1116.8","0.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Dy N3 O6 -","- C21 H24 Dy N3 O6 -","- C42 H48 Dy2 N6 O12 -","2","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0373","0.0316","","","0.0669","0.0695","","","","","","1.06","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060055","11.316","0.002","14.635","0.003","15.54","0.003","90","","110.14","0.03","90","","2416.2","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N3 O7 Yb -","- C22 H28 N3 O7 Yb -","- C88 H112 N12 O28 Yb4 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0376","0.0309","","","0.0686","0.0719","","","","","","1.117","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060056","11.304","0.002","14.712","0.003","15.521","0.003","90","","110.03","0.03","90","","2425.1","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Ho N3 O7 -","- C22 H28 Ho N3 O7 -","- C88 H112 Ho4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0376","0.031","","","0.0683","0.0718","","","","","","1.075","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060057","11.312","0.002","14.684","0.003","15.527","0.003","90","","110.12","0.03","90","","2421.7","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Er N3 O7 -","- C22 H28 Er N3 O7 -","- C88 H112 Er4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0365","0.0307","","","0.0672","0.0701","","","","","","1.122","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060058","11.32","0.002","14.828","0.003","15.511","0.003","90","","109.46","0.03","90","","2454.8","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Eu N3 O7 -","- C22 H28 Eu N3 O7 -","- C88 H112 Eu4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0411","0.0312","","","0.0709","0.0753","","","","","","1.02","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060059","11.327","0.002","14.721","0.003","15.534","0.003","90","","109.86","0.03","90","","2436.2","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N3 O7 Y -","- C22 H28 N3 O7 Y -","- C88 H112 N12 O28 Y4 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0662","0.0489","","","0.098","0.1062","","","","","","1.021","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060060","13.9869","0.0006","5.09616","0.00015","24.461","0.0008","90","","104.972","0.004","90","","1684.38","0.11","293.5","0.1","293.5","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H36 N2 O4 S -","- C44 H36 N2 O4 S -","- C88 H72 N4 O8 S2 -","2","0.5","","Zhou, Hongke; Zhang, Zhan; Liu, Xingliang; Xu, Defang; Zhang, Weidong; Fu, Shengjie; Feng, Xiucun; Huang, Qian","D‒A type luminophores with a twisted molecular conformation constructed by phenoxazine and diphenylsulfone showing high contrast mechanofluorochromism","New Journal of Chemistry","2020","44","41","17882","17890","10.1039/D0NJ04178E","","x-ray","1.54184","CuKα","","0.05","0.0405","","","0.1054","0.114","","","","","","1.059","","","","has coordinates","258898","2020-11-06","12:43:35",""
"7060061","9.9624","0.0005","13.4464","0.0007","19.3712","0.001","87.677","0.004","76.294","0.005","73.02","0.005","2410","0.2","293.51","0.1","293.51","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Br N O3 S -","- C28 H22 Br N O3 S -","- C112 H88 Br4 N4 O12 S4 -","4","2","","Zhou, Hongke; Zhang, Zhan; Liu, Xingliang; Xu, Defang; Zhang, Weidong; Fu, Shengjie; Feng, Xiucun; Huang, Qian","D‒A type luminophores with a twisted molecular conformation constructed by phenoxazine and diphenylsulfone showing high contrast mechanofluorochromism","New Journal of Chemistry","2020","44","41","17882","17890","10.1039/D0NJ04178E","","x-ray","1.54184","CuKα","","0.0629","0.0472","","","0.1251","0.1391","","","","","","1.021","","","","has coordinates","258898","2020-11-06","12:43:35",""
"7060062","10.847","0.002","8.7335","0.0017","17.643","0.004","90","","91.27","0.03","90","","1671","0.6","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H18 Mg N10 O11 -","- C5 H18 Mg N10 O11 -","- C20 H72 Mg4 N40 O44 -","4","1","","Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai","Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate","New Journal of Chemistry","2020","44","44","19054","19060","10.1039/D0NJ03773G","","","0.71073","MoKα","","0.0533","0.049","","","0.1096","0.1126","","","","","","1.11","","","","has coordinates","259608","2020-12-06","14:31:08",""
"7060063","17.068","0.003","17.764","0.004","21.772","0.004","90","","90","","90","","6601","2","153","2","153.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H34 N20 O21 Sr2 -","- C10 H34 N20 O21 Sr2 -","- C80 H272 N160 O168 Sr16 -","8","1","","Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai","Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate","New Journal of Chemistry","2020","44","44","19054","19060","10.1039/D0NJ03773G","","","0.71073","MoKα","","0.0972","0.076","","","0.1284","0.1368","","","","","","1.221","","","","has coordinates","259608","2020-12-06","14:31:08",""
"7060064","20.691","0.004","8.2319","0.0016","21.708","0.004","90","","91.83","0.03","90","","3695.6","1.2","153","2","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H44 Ca2 N20 O26 -","- C10 H44 Ca2 N20 O26 -","- C40 H176 Ca8 N80 O104 -","4","1","","Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai","Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate","New Journal of Chemistry","2020","44","44","19054","19060","10.1039/D0NJ03773G","","","0.71073","MoKα","","0.1412","0.123","","","0.281","0.2933","","","","","","1.238","","","","has coordinates","259608","2020-12-06","14:31:08",""
"7060065","7.894","0.003","10.729","0.004","11.479","0.004","111.357","0.009","104.883","0.011","94.191","0.008","859.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cu F3 N O3 -","- C19 H12 Cu F3 N O3 -","- C38 H24 Cu2 F6 N2 O6 -","2","1","","Mahesha,; Hema, M. K.; Karthik, C. S.; Pampa, K. J.; Mallu, P.; Lokanath, N. K.","Solvent induced mononuclear and dinuclear mixed ligand Cu(ii) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies","New Journal of Chemistry","2020","44","41","18048","18068","10.1039/D0NJ03567J","","","0.71073","MoKα","","0.0836","0.0651","","","0.1699","0.1888","","","","","","0.991","","","","has coordinates","258894","2020-11-06","12:42:35",""
"7060066","8.56","0.002","22.75","0.005","11.02","0.003","90","","111.64","0.003","90","","1994.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H32 Cu2 F6 N2 O10 -","- C42 H32 Cu2 F6 N2 O10 -","- C84 H64 Cu4 F12 N4 O20 -","2","0.5","","Mahesha,; Hema, M. K.; Karthik, C. S.; Pampa, K. J.; Mallu, P.; Lokanath, N. K.","Solvent induced mononuclear and dinuclear mixed ligand Cu(ii) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies","New Journal of Chemistry","2020","44","41","18048","18068","10.1039/D0NJ03567J","","","0.71073","MoKα","","0.1402","0.0847","","","0.2083","0.2506","","","","","","0.985","","","","has coordinates","258894","2020-11-06","12:42:36",""
"7060067","19.497","0.004","17.505","0.004","17.664","0.004","90","","97.67","0.03","90","","5975","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 I9 La N8 O8 Pb3 -","- C24 H36 I9 La N8 O8 Pb3 -","- C96 H144 I36 La4 N32 O32 Pb12 -","4","1","","Chen, Niannian; Gao, Yan; Tian, Yiming; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","One-dimensional polymeric iodoplumbate hybrids with lanthanide complex cations: syntheses, crystal structures, and photoelectric and photocatalytic properties","New Journal of Chemistry","2020","44","44","19166","19173","10.1039/D0NJ04549G","","","0.71073","MoKα","","0.0951","0.0896","","","0.1327","0.1613","","","","","","1.158","","","","has coordinates","259607","2020-12-06","14:30:58",""
"7060068","18.777","0.004","20.133","0.004","20.095","0.004","90","","109.89","0.03","90","","7144","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Gd I13 N8 O8 Pb5 -","- C24 H48 Gd I13 N8 O8 Pb5 -","- C96 H192 Gd4 I52 N32 O32 Pb20 -","4","1","","Chen, Niannian; Gao, Yan; Tian, Yiming; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","One-dimensional polymeric iodoplumbate hybrids with lanthanide complex cations: syntheses, crystal structures, and photoelectric and photocatalytic properties","New Journal of Chemistry","2020","44","44","19166","19173","10.1039/D0NJ04549G","","","0.71073","MoKα","","0.1666","0.1211","","","0.219","0.2357","","","","","","1.282","","","","has coordinates","259607","2020-12-06","14:30:58",""
"7060069","18.833","0.004","20.148","0.004","20.148","0.004","90","","110.01","0.03","90","","7184","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 I13 N8 O8 Pb5 Sm -","- C24 H50 I13 N8 O8 Pb5 Sm -","- C96 H200 I52 N32 O32 Pb20 Sm4 -","4","1","","Chen, Niannian; Gao, Yan; Tian, Yiming; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","One-dimensional polymeric iodoplumbate hybrids with lanthanide complex cations: syntheses, crystal structures, and photoelectric and photocatalytic properties","New Journal of Chemistry","2020","44","44","19166","19173","10.1039/D0NJ04549G","","","0.71073","MoKα","","0.1661","0.1154","","","0.2272","0.2546","","","","","","1.185","","","","has coordinates","259607","2020-12-06","14:30:58",""
"7060070","10.168","0.002","37.606","0.008","38.894","0.008","90","","95.97","0.03","90","","14792","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H54 Mn3 N2 O15 -","- C78 H48 Mn3 N2 O15 -","- C312 H192 Mn12 N8 O60 -","4","1","","Kim, Hyojin; Eom, Sunhwi; Park, Sora; Kang, Dong Won; Wang, Mengmeng; Kim, Youngseo; Park, Sungnam; Shi, Wei; Hong, Chang Seop","Structure, photoluminescence, and magnetic properties of a Mn(ii)-based metal‒organic framework","New Journal of Chemistry","2020","44","43","18694","18702","10.1039/D0NJ04193A","","","0.7","synchrotron","","0.0968","0.0716","","","0.2165","0.2287","","","","","","0.983","","","","has coordinates","259612","2020-12-06","14:31:54",""
"7060071","11.3239","0.0009","16.5128","0.0014","25.834","0.002","90","","93.671","0.001","90","","4820.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","YbDMP(acetate)(1,10-phen).0.65CH2Cl2.1.82CH3OH","","","- C54.47 H50.76 Cl1.3 N6 O3.82 Yb -","- C54.47 H50.76 Cl1.3 N6 O3.82 Yb -","- C217.88 H203.04 Cl5.2 N24 O15.28 Yb4 -","4","1","","Balasooriya, Dinesh; Liu, Beibei; He, Hongshan; Sykes, Andew; May, P. Stanley","A conjugated porphyrin as a red-light sensitizer for near-infrared emission of ytterbium(iii) ion","New Journal of Chemistry","2020","44","43","18756","18762","10.1039/D0NJ04910G","","","0.71073","MoKα","","0.0608","0.0484","","","0.1187","0.1302","","","","","","1.156","","","","has coordinates","259613","2020-12-06","14:31:59",""
"7060072","9.0378","0.0007","13.0143","0.0011","14.5111","0.0011","114.894","0.008","96.065","0.006","100.583","0.007","1489.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B F2 N3 O4 -","- C34 H30 B F2 N3 O4 -","- C68 H60 B2 F4 N6 O8 -","2","1","","Xie, Hao-Ran; Gu, Ya-Qi; Liu, Li; Dai, Jing-Cao","A H-aggregating fluorescent probe for recognizing both mercury and copper ions based on a dicarboxyl-pyridyl bifunctionalized difluoroboron dipyrromethene","New Journal of Chemistry","2020","44","45","19713","19722","10.1039/D0NJ04124F","","","0.71073","MoKα","","0.1592","0.0707","","","0.1625","0.2124","","","","","","1.022","","","","has coordinates","259619","2020-12-06","14:33:28",""
"7060073","9.9602","0.0002","22.9534","0.0004","9.6447","0.0001","90","","93.162","0.001","90","","2201.62","0.06","114","2","114","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 B F2 N3 O6 -","- C22 H18 B F2 N3 O6 -","- C88 H72 B4 F8 N12 O24 -","4","1","","Xie, Hao-Ran; Gu, Ya-Qi; Liu, Li; Dai, Jing-Cao","A H-aggregating fluorescent probe for recognizing both mercury and copper ions based on a dicarboxyl-pyridyl bifunctionalized difluoroboron dipyrromethene","New Journal of Chemistry","2020","44","45","19713","19722","10.1039/D0NJ04124F","","","1.54178","CuKα","","0.0975","0.0859","","","0.2504","0.2657","","","","","","1.05","","","","has coordinates","259619","2020-12-06","14:33:28",""
"7060074","11.1737","0.0003","11.3349","0.0004","18.294","0.0005","88.5","0.001","81.176","0.001","65.031","0.001","2073.65","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.84 H58.87 Dy I0.03 N2 O S1.98 -","- C44.8428 H58.869 Dy I0.0262 N2 O S1.9738 -","- C89.6856 H117.738 Dy2 I0.0524 N4 O2 S3.9476 -","2","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0217","0.0195","","","0.0434","0.0441","","","","","","1.045","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060075","31.9845","0.0006","12.1125","0.0003","21.4148","0.0005","90","","116.247","0.001","90","","7441","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 Dy I2 N2 O1.5 -","- C35 H53 Dy I2 N2 O1.5 -","- C280 H424 Dy8 I16 N16 O12 -","8","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0367","0.0274","","","0.0502","0.053","","","","","","1.032","","","","has coordinates","259617","2020-12-06","14:33:17",""
"7060076","19.1978","0.0006","19.5799","0.0006","22.8398","0.0008","102.721","0.001","106.138","0.001","97.761","0.001","7866.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 I2 N2 O2 Tb -","- C37 H57 I2 N2 O2 Tb -","- C296 H456 I16 N16 O16 Tb8 -","8","4","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0906","0.0459","","","0.0993","0.1202","","","","","","1.015","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060077","10.2426","0.0004","20.049","0.0009","10.6372","0.0007","90","","92.955","0.002","90","","2181.49","0.19","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H65 Gd I2 N2 O3 -","- C41 H65 Gd I2 N2 O3 -","- C82 H130 Gd2 I4 N4 O6 -","2","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.029","0.0249","","","0.056","0.0579","","","","","","1.035","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060078","12.7128","0.0005","19.5799","0.0006","16.8372","0.0005","94.15","0.001","79.699","0.001","107.444","0.001","3933.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 I2 N2 O2 Tb -","- C37 H57 I2 N2 O2 Tb -","- C148 H228 I8 N8 O8 Tb4 -","4","2","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0564","0.0404","","","0.0879","0.0957","","","","","","1.021","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060079","11.1634","0.0004","11.36","0.0005","18.3231","0.0009","88.633","0.002","81.303","0.002","65.01","0.001","2079.83","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 N2 O S2 Tb -","- C45 H59 N2 O S2 Tb -","- C90 H118 N4 O2 S4 Tb2 -","2","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0297","0.0252","","","0.0521","0.0539","","","","","","1.047","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060080","12.8956","0.0005","19.6998","0.0007","15.224","0.0007","90","","93.257","0.002","90","","3861.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.38 H51.76 Dy N4 O0.34 S2 -","- C40.38 H51.76 Dy N4 O0.345 S2 -","- C161.52 H207.04 Dy4 N16 O1.38 S8 -","4","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0331","0.0239","","","0.0462","0.0491","","","","","","1.025","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060081","11.458","0.0006","14.6416","0.0007","15.2678","0.0006","92.345","0.002","111.744","0.002","111.629","0.002","2164.4","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H118 N4 S4 Tb2 -","- C96 H118 N4 S4 Tb2 -","- C96 H118 N4 S4 Tb2 -","1","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.022","0.0193","","","0.0449","0.046","","","","","","1.046","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060082","12.2293","0.001","15.4509","0.0013","15.9391","0.0013","67.587","0.003","70.606","0.003","77.965","0.003","2614.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl2 N4 O3 Ru -","- C24 H32 Cl2 N4 O3 Ru -","- C96 H128 Cl8 N16 O12 Ru4 -","4","2","","Gopalakrishnan, Durairaj; Sumithaa, Chezhiyan; Kumar, Arumugam Madan; Bhuvanesh, Nattamai S. P.; Ghorai, Suvankar; Das, Priyadip; Ganeshpandian, Mani","Encapsulation of a Ru(η6-p-cymene) complex of the antibacterial drug trimethoprim into a polydiacetylene-phospholipid assembly to enhance its in vitro anticancer and antibacterial activities","New Journal of Chemistry","2020","44","46","20047","20059","10.1039/D0NJ03664A","","","0.71073","MoKα","","0.0402","0.031","","","0.0639","0.0684","","","","","","1.115","","","","has coordinates","260801","2021-01-07","06:48:03",""
"7060083","21.4385","0.0004","16.0457","0.0003","17.8853","0.0003","90","","90","","90","","6152.47","0.19","100","0.1","100","0.1","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C15 H14 Cl N O2 Pt S -","- C15 H14 Cl N O2 Pt S -","- C240 H224 Cl16 N16 O32 Pt16 S16 -","16","2","","Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong","High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand","New Journal of Chemistry","2020","44","45","19885","19890","10.1039/D0NJ04753H","","x-ray","1.54184","CuKα","","0.0503","0.0485","","","0.1357","0.1375","","","","","","1.076","","","","has coordinates","259420","2020-12-02","04:48:35",""
"7060084","7.2856","0.0001","17.1489","0.0002","9.9031","0.0001","90","","90","","90","","1237.29","0.03","100","0.1","100","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H12 Cl N O2 Pt S -","- C11 H12 Cl N O2 Pt S -","- C44 H48 Cl4 N4 O8 Pt4 S4 -","4","1","","Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong","High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand","New Journal of Chemistry","2020","44","45","19885","19890","10.1039/D0NJ04753H","","x-ray","1.54184","CuKα","","0.0245","0.0236","","","0.0583","0.0592","","","","","","1.074","","","","has coordinates","259420","2020-12-02","04:48:36",""
"7060099","10.3583","0.0004","11.4739","0.0004","17.6428","0.0006","102.881","0.003","93.052","0.003","111.451","0.004","1881.39","0.13","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 F6 N2 P2 Ru S -","- C42 H38 F6 N2 P2 Ru S -","- C84 H76 F12 N4 P4 Ru2 S2 -","2","1","","Martínez-De-León, Carla Gabriela; Flores Vallejo, Rosario del Carmen; Rodríguez-Álvarez, Aurora; Villareal, María Luisa; Grévy, Jean-Michel","Synthesis, characterization and cytotoxic activity of cationic half-sandwich Ru(ii) complexes stabilized by iminophosphorane N,N,S and N,N,Se tridentate ligands","New Journal of Chemistry","2020","44","47","20676","20687","10.1039/D0NJ04958A","","x-ray","0.71073","MoKα","","0.0465","0.0372","","","0.0698","0.074","","","","","","1.029","","","","has coordinates","260802","2021-01-07","06:48:16",""
"7060100","10.3258","0.0003","11.4664","0.0005","17.7014","0.0007","102.299","0.003","92.894","0.003","111.556","0.004","1885.31","0.14","99.9","0.5","99.9","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 F6 N2 P2 Ru Se -","- C42 H38 F6 N2 P2 Ru Se -","- C84 H76 F12 N4 P4 Ru2 Se2 -","2","1","","Martínez-De-León, Carla Gabriela; Flores Vallejo, Rosario del Carmen; Rodríguez-Álvarez, Aurora; Villareal, María Luisa; Grévy, Jean-Michel","Synthesis, characterization and cytotoxic activity of cationic half-sandwich Ru(ii) complexes stabilized by iminophosphorane N,N,S and N,N,Se tridentate ligands","New Journal of Chemistry","2020","44","47","20676","20687","10.1039/D0NJ04958A","","x-ray","0.71073","MoKα","","0.0483","0.0391","","","0.0778","0.0826","","","","","","1.03","","","","has coordinates","260802","2021-01-07","06:48:20",""
"7060101","12.1571","0.0003","16.3864","0.0004","20.0229","0.0005","90","","94.02","0.002","90","","3978.97","0.17","99.98","0.12","99.98","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 Cl3 N2 P Ru Se -","- C43 H40 Cl3 N2 P Ru Se -","- C172 H160 Cl12 N8 P4 Ru4 Se4 -","4","1","","Martínez-De-León, Carla Gabriela; Flores Vallejo, Rosario del Carmen; Rodríguez-Álvarez, Aurora; Villareal, María Luisa; Grévy, Jean-Michel","Synthesis, characterization and cytotoxic activity of cationic half-sandwich Ru(ii) complexes stabilized by iminophosphorane N,N,S and N,N,Se tridentate ligands","New Journal of Chemistry","2020","44","47","20676","20687","10.1039/D0NJ04958A","","x-ray","0.71073","MoKα","","0.039","0.0295","","","0.0609","0.0642","","","","","","1.054","","","","has coordinates","260802","2021-01-07","06:48:25",""
"7060103","14.799","0.0008","16.2691","0.001","17.0541","0.0009","72.965","0.002","80.879","0.003","80.069","0.003","3841.6","0.4","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H59 Cl2 N O22 Zr6 -","- C58 H58 Cl2 N O22 Zr6 -","- C116 H116 Cl4 N2 O44 Zr12 -","2","1","","Chen, Siyuan; Cheng, Shuangjing; Zhao, Liang; Sun, Chunyi; Qin, Chao; Su, Zhongmin","Self-assembly of zirconocene-based metal‒organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture","New Journal of Chemistry","2020","44","48","21255","21260","10.1039/D0NJ04576D","","x-ray","0.71073","MoKα","K-L~3~","0.1459","0.063","","","0.1449","0.1963","","","","","","1.035","","","","has coordinates","260808","2021-01-07","06:49:12",""
"7060104","39.583","0.005","11.3619","0.0016","19.236","0.003","90","","91.681","0.008","90","","8647","2","173","2","173.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H74 Cl2 N8 O22 Zr6 -","- C78 H74 Cl2 N8 O22 Zr6 -","- C312 H296 Cl8 N32 O88 Zr24 -","4","1","","Chen, Siyuan; Cheng, Shuangjing; Zhao, Liang; Sun, Chunyi; Qin, Chao; Su, Zhongmin","Self-assembly of zirconocene-based metal‒organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture","New Journal of Chemistry","2020","44","48","21255","21260","10.1039/D0NJ04576D","","x-ray","1.54178","CuKα","K-L~3~","0.1624","0.0879","","","0.1809","0.2102","","","","","","1.072","","","","has coordinates","260808","2021-01-07","06:49:12",""
"7060105","10.7932","0.0008","23.6272","0.0015","25.0116","0.0018","67.089","0.003","78.072","0.003","77.205","0.003","5677.5","0.7","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C85.5 H83.5 Cl2 N2.5 O22.5 Zr6 -","- C85.5 H83.5 Cl2 N2.5 O22.5 Zr6 -","- C171 H167 Cl4 N5 O45 Zr12 -","2","1","","Chen, Siyuan; Cheng, Shuangjing; Zhao, Liang; Sun, Chunyi; Qin, Chao; Su, Zhongmin","Self-assembly of zirconocene-based metal‒organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture","New Journal of Chemistry","2020","44","48","21255","21260","10.1039/D0NJ04576D","","x-ray","0.71073","MoKα","K-L~3~","0.1111","0.0693","","","0.1836","0.2087","","","","","","1.026","","","","has coordinates","260808","2021-01-07","06:49:12",""
"7060106","7.2126","0.0007","7.7988","0.0007","11.6303","0.0011","108.895","0.003","99.835","0.003","97.095","0.003","598.52","0.1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C13 H12 F N3 O2 -","- C13 H12.001 F N3 O2 -","- C26 H24.002 F2 N6 O4 -","2","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0474","0.0424","","","0.1181","0.1229","","","","","","0.991","","","","has coordinates,has disorder","259428","2020-12-02","04:56:06",""
"7060107","9.7343","0.001","13.7655","0.0014","9.5215","0.001","90","","107.93","0.004","90","","1213.9","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N2 O2 -","- C13 H11 F N2 O2 -","- C52 H44 F4 N8 O8 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.053","0.0452","","","0.1133","0.119","","","","","","1.042","","","","has coordinates","259428","2020-12-02","04:56:07",""
"7060108","12.9052","0.0017","10.4423","0.0013","10.249","0.0014","90","","108.342","0.005","90","","1311","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Fe N O3 -","- C14 H15 Fe N O3 -","- C56 H60 Fe4 N4 O12 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0542","0.0419","","","0.1077","0.1149","","","","","","0.922","","","","has coordinates","259428","2020-12-02","04:56:07",""
"7060109","13.2083","0.0011","9.7083","0.0008","10.6102","0.0007","90","","90","","90","","1360.55","0.18","150","2","150","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C16 H13 Cl Fe N2 O -","- C16 H13 Cl Fe N2 O -","- C64 H52 Cl4 Fe4 N8 O4 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0251","0.0236","","","0.0633","0.0649","","","","","","0.904","","","","has coordinates","259428","2020-12-02","04:56:08",""
"7060110","11.2927","0.0011","13.7746","0.0014","14.1675","0.0015","65.688","0.003","68.371","0.004","88.915","0.004","1843.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H18 F Fe N3 O2 -","- C22 H18 F Fe N3 O2 -","- C88 H72 F4 Fe4 N12 O8 -","4","2","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0695","0.0466","","","0.0991","0.1115","","","","","","1.026","","","","has coordinates,has disorder","259428","2020-12-02","04:56:08",""
"7060111","12.3325","0.0013","11.1364","0.001","9.0892","0.0008","90","","108.654","0.005","90","","1182.7","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl F3 N O3 -","- C11 H9 Cl F3 N O3 -","- C44 H36 Cl4 F12 N4 O12 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0527","0.0399","","","0.1064","0.1158","","","","","","1.048","","","","has coordinates","259428","2020-12-02","04:56:08",""
"7060112","16.6739","0.0015","8.1277","0.0007","19.197","0.0017","90","","115.728","0.001","90","","2343.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeBAPIm]2Pb3Br12","","- C20 H50 Br12 N8 Pb3 -","- C20 H50 Br12 N8 Pb3 -","- C40 H100 Br24 N16 Pb6 -","2","0.5","","Sun, Xing-Yu; Zhang, Wei-Feng; Pan, Hong-Mei; Ma, Yue-Yu; Jing, Zhi-Hong","Broadband yellow light emitting performance based on zero-dimensional hybrid lead bromide trimers","New Journal of Chemistry","2020","44","48","21146","21151","10.1039/D0NJ04686H","","","0.71073","MoKα","","0.063","0.0316","","","0.0506","0.054","","","","","","0.841","","","","has coordinates","260805","2021-01-07","06:48:45",""
"7060113","9.9716","0.0012","15.7329","0.0019","31.996","0.004","90","","90","","90","","5019.6","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[PMDPTA]2Pb3Br12","","- C22 H60 Br12 N6 Pb3 -","- C22 H60 Br12 N6 Pb3 -","- C88 H240 Br48 N24 Pb12 -","4","1","","Sun, Xing-Yu; Zhang, Wei-Feng; Pan, Hong-Mei; Ma, Yue-Yu; Jing, Zhi-Hong","Broadband yellow light emitting performance based on zero-dimensional hybrid lead bromide trimers","New Journal of Chemistry","2020","44","48","21146","21151","10.1039/D0NJ04686H","","","0.71073","MoKα","","0.0356","0.0284","","","0.0583","0.0607","","","","","","1.035","","","","has coordinates","260805","2021-01-07","06:48:45",""
"7060114","14.1404","0.0011","35.42","0.003","13.8364","0.0011","90","","120.445","0.002","90","","5974.5","0.8","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C45 H67 Cl5 N2 O4 P2 Pt Se Sn5 -","- C45 H67 Cl5 N2 O4 P2 Pt Se Sn5 -","- C180 H268 Cl20 N8 O16 P8 Pt4 Se4 Sn20 -","4","1","","Chauhan, Rohit Singh; Singh, Saurabh Kumar; Tyagi, Adish; Golen, James A.; Rheingold, Arnold L.","A serendipitous isolation of cocrystallized platinum‒tin complexes: synthesis, structure and theoretical exploration","New Journal of Chemistry","2020","44","48","20945","20955","10.1039/D0NJ04639F","","","0.71073","MoKα","","0.0417","0.0353","","","0.072","0.0744","","","","","","1.033","","","","has coordinates","260807","2021-01-07","06:48:57",""
"7060115","12.2292","0.0006","16.2125","0.0009","17.2666","0.0009","92.263","0.002","107.239","0.002","97.212","0.002","3233.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H79 Cl6 N O3 P2 Pt Se Sn5 -","- C52 H79 Cl6 N O3 P2 Pt Se Sn5 -","- C104 H158 Cl12 N2 O6 P4 Pt2 Se2 Sn10 -","2","1","","Chauhan, Rohit Singh; Singh, Saurabh Kumar; Tyagi, Adish; Golen, James A.; Rheingold, Arnold L.","A serendipitous isolation of cocrystallized platinum‒tin complexes: synthesis, structure and theoretical exploration","New Journal of Chemistry","2020","44","48","20945","20955","10.1039/D0NJ04639F","","","0.71073","MoKα","","0.0888","0.0546","","","0.1102","0.1208","","","","","","1.089","","","","has coordinates,has disorder","260807","2021-01-07","06:48:58",""
"7060116","33.7978","0.0018","4.4776","0.0003","16.859","0.001","90","","100.713","0.004","90","","2506.9","0.3","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C112 H128 N16 O24 -","8","1","","Chen, Zhuang-Zhuang; Li, Ruo-Yu; Zhang, Wen-Ze; Zhang, Yang; Dong, Wen-Kui","A new salamo-based colorimetric and fluorescent turn-on sensor with aggregation-induced emission for the rapid and highly sensitive detection of cyanide in real samples","New Journal of Chemistry","2020","44","48","21038","21048","10.1039/D0NJ05020B","","","0.71073","MoKα","","0.0993","0.0724","","","0.1876","0.2028","","","","","","1.14","","","","has coordinates","260806","2021-01-07","06:48:51",""
"7060117","8.295","0.002","9.985","0.004","15.477","0.006","94.172","0.009","97.601","0.013","93.766","0.01","1263.6","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 N8 O6 S6 Zn2 -","- C40 H60 N8 O6 S6 Zn2 -","- C40 H60 N8 O6 S6 Zn2 -","1","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.56086","AgKα","","0.0704","0.0458","","","0.1027","0.1133","","","","","","1.038","","","","has coordinates,has disorder","259432","2020-12-02","04:59:15",""
"7060118","8.613","0.002","14.572","0.004","17.461","0.005","94.322","0.007","94.423","0.007","102.142","0.007","2126.7","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H84 Cd2 N8 O10 S10 -","- C80 H84 Cd2 N8 O10 S10 -","- C80 H84 Cd2 N8 O10 S10 -","1","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.56086","AgKα","","0.077","0.0479","","","0.1111","0.1251","","","","","","1.018","","","","has coordinates,has disorder","259432","2020-12-02","04:59:15",""
"7060119","37.5637","0.001","6.6298","0.0002","34.3853","0.001","90","","117.368","0.003","90","","7604.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 N4 O4 S4 -","- C38 H38 N4 O4 S4 -","- C304 H304 N32 O32 S32 -","8","1","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","1.54178","CuKα","","0.0731","0.0556","","","0.1448","0.1586","","","","","","1.045","","","","has coordinates","259432","2020-12-02","04:59:15",""
"7060120","8.3905","0.0017","10.057","0.002","15.395","0.003","91.58","0.03","99.49","0.03","93.36","0.03","1278.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cd2 N8 O6 S6 -","- C40 H60 Cd2 N8 O6 S6 -","- C40 H60 Cd2 N8 O6 S6 -","1","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.71073","MoKα","","0.0513","0.0436","","","0.1127","0.1156","","","","","","0.962","","","","has coordinates","259432","2020-12-02","04:59:16",""
"7060121","20.0892","0.001","17.8988","0.0008","16.5987","0.0008","90","","103.613","0.002","90","","5800.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H52 N8 O5 S4 Zn -","- C68 H52 N8 O5 S4 Zn -","- C272 H208 N32 O20 S16 Zn4 -","4","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.71073","MoKα","","0.067","0.0428","","","0.0951","0.1047","","","","","","1.028","","","","has coordinates","259432","2020-12-02","04:59:16",""
"7060126","7.1276","0.0016","7.872","0.0015","9.358","0.002","89.837","0.007","82.547","0.007","74.782","0.007","502.1","0.18","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Hg2 N16 -","- C12 H10 Hg2 N16 -","- C12 H10 Hg2 N16 -","1","0.5","","Mahmoudi, Ghodrat; Lawrence, Simon E.; Cisterna, Jonathan; Cárdenas, Alejandro; Brito, Iván; Frontera, Antonio; Safin, Damir A.","A new spodium bond driven coordination polymer constructed from mercury(ii) azide and 1,2-bis(pyridin-2-ylmethylene)hydrazine","New Journal of Chemistry","2020","44","48","21100","21107","10.1039/D0NJ04444J","","","0.71073","MoKα","","0.0723","0.0596","","","0.1556","0.1651","","","","","","1.028","","","","has coordinates","260809","2021-01-07","06:49:19",""
"7060127","8.1633","0.00018","8.7604","0.0003","19.2048","0.0005","96.042","0.002","93.524","0.0019","109.789","0.002","1278.19","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cd N5 O8 S2 -","- C23 H27 Cd N5 O8 S2 -","- C46 H54 Cd2 N10 O16 S4 -","2","1","","Garau, Alessandra; Lvova, Larisa; Macedi, Eleonora; Ambrosi, Gianluca; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Coles, Simon J.; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Isaia, Francesco; Lippolis, Vito; Orton, James B.; Paolesse, Roberto","N2S2 pyridinophane-based fluorescent chemosensors for selective optical detection of Cd2+ in soils","New Journal of Chemistry","2020","44","47","20834","20852","10.1039/D0NJ03858J","","x-ray","0.71075","MoKα","K-L~3~","0.0229","0.022","","","0.0563","0.0568","","","","","","1.044","","","","has coordinates","260804","2021-01-07","06:48:34",""
"7060128","14.6542","0.0009","23.3345","0.0014","15.2574","0.0009","90","","106.595","0.001","90","","4999.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Ce Cu2 N9 O17 -","- C38 H42 Ce Cu2 N9 O17 -","- C152 H168 Ce4 Cu8 N36 O68 -","4","1","","Chen, Zhuang-Zhuang; Zhang, Wen-Ze; Zhang, Ting; Zhang, Yang; Dong, Wen-Kui","An insight into the molecular structures, theoretical calculation and catalytic activities of novel heterotrinuclear [CuII2CeIII] and heterohexanuclear [CuII4YIII2] bis(salamo)-based complexes","New Journal of Chemistry","2020","44","45","19836","19849","10.1039/D0NJ04126B","","","0.71073","MoKα","","0.0588","0.0373","","","0.0858","0.0954","","","","","","0.992","","","","has coordinates","259533","2020-12-04","03:59:54",""
"7060129","12.8639","0.0007","17.7598","0.0009","23.1688","0.0013","106.755","0.002","101.128","0.002","93.311","0.002","4936.8","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H107 Cu4 N17 O38 Y2 -","- C83 H107 Cu4 N17 O38 Y2 -","- C166 H214 Cu8 N34 O76 Y4 -","2","1","","Chen, Zhuang-Zhuang; Zhang, Wen-Ze; Zhang, Ting; Zhang, Yang; Dong, Wen-Kui","An insight into the molecular structures, theoretical calculation and catalytic activities of novel heterotrinuclear [CuII2CeIII] and heterohexanuclear [CuII4YIII2] bis(salamo)-based complexes","New Journal of Chemistry","2020","44","45","19836","19849","10.1039/D0NJ04126B","","","0.71073","MoKα","","0.0784","0.0482","","","0.1225","0.1371","","","","","","1.021","","","","has coordinates,has disorder","259533","2020-12-04","03:59:54",""
"7060130","14.1326","0.0015","6.1144","0.0006","20.19","0.002","90","","106.055","0.002","90","","1676.6","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N3 O2 -","- C18 H16 Br N3 O2 -","- C72 H64 Br4 N12 O8 -","4","1","","Saeed, Aamer; Khurshid, Asma; Flörke, Ulrich; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.; Rocha, Mariana; Frontera, Antonio; El-Seedi, Hesham R.; Mumtaz, Amara; Erben, Mauricio F.","Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","45","19541","19554","10.1039/D0NJ03958F","","","0.71073","MoKα","","0.0432","0.0334","","","0.0837","0.0882","","","","","","1.062","","","","has coordinates","259534","2020-12-04","04:00:38",""
"7060131","13.9852","0.0011","6.2373","0.0004","20.2255","0.0012","90","","105.334","0.007","90","","1701.5","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-chloro-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)benzamide","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C72 H64 Cl4 N12 O8 -","4","1","","Saeed, Aamer; Khurshid, Asma; Flörke, Ulrich; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.; Rocha, Mariana; Frontera, Antonio; El-Seedi, Hesham R.; Mumtaz, Amara; Erben, Mauricio F.","Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","45","19541","19554","10.1039/D0NJ03958F","","x-ray","1.54184","CuKα","","0.0774","0.0489","","","0.1272","0.1518","","","","","","1.01","","","","has coordinates","259534","2020-12-04","04:00:40",""
"7060132","7.8921","0.0003","25.8627","0.0013","15.1136","0.0008","90","","92.072","0.004","90","","3082.8","0.3","295","0.1","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 B F2 N2 -","- C33 H31 B F2 N2 -","- C132 H124 B4 F8 N8 -","4","1","","Marfin, Yu. S.; Usoltsev, S. D.; Kazak, A. V.; Vodyanova, O. S.; Novikova, N. E.; Verin, I. A.; Rumyantsev, E. V.; Kholodkov, I. V.; Merkushev, D. A.","Supramolecular organization and optical properties of BODIPY derivatives in Langmuir‒Schaefer films","New Journal of Chemistry","2020","44","44","19046","19053","10.1039/D0NJ02855J","","x-ray","0.71073","MoKα","","0.1741","0.0626","","","0.102","0.1397","","","","1.38","1.38","1.19","","","","has coordinates","259559","2020-12-05","11:31:45",""
"7060133","10.2621","0.0009","14.7331","0.0012","19.7363","0.0018","90","","90","","90","","2984","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pt -","- C18 H24 Pt -","- C144 H192 Pt8 -","8","1","","Neugebauer, Michael; Schmitz, Simon; Brünink, Dana; Doltsinis, Nikos L.; Klein, Axel","Dynamics of the efficient cyclometalation of the undercoordinated organoplatinum complex [Pt(COD)(neoPh)]+ (neoPh = 2-methyl-2-phenylpropyl)","New Journal of Chemistry","2020","44","44","19238","19249","10.1039/D0NJ04811A","","","0.71073","MoKα","","0.0511","0.0384","","","0.0979","0.1038","","","","","","1.024","","","","has coordinates","259560","2020-12-05","11:32:14",""
"7060134","15.7977","0.0007","19.3045","0.0009","29.3563","0.0014","90","","103.172","0.003","90","","8717.2","0.7","105","","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H88.5 N12 O22.25 S6 -","- C86 H88.5 N12 O22.25 S6 -","- C344 H354 N48 O89 S24 -","4","1","","Tremblay, Marie-Hélène; Al Ahmad, Abdel; Skene, W. G.","End-group functionalization of a conjugated azomethine with ureas for property tailoring","New Journal of Chemistry","2020","44","43","18813","18822","10.1039/C9NJ04722K","","x-ray","1.34139","GaKα","","0.1347","0.0704","","","0.1822","0.219","","","","","","1.025","","","","has coordinates","259561","2020-12-05","11:35:24",""
"7060135","9.1066","0.0003","14.6728","0.0005","38.6322","0.0014","90","","90","","90","","5162","0.3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H27 Cl N3 P Pd S -","- C26 H27 Cl N3 P Pd S -","- C208 H216 Cl8 N24 P8 Pd8 S8 -","8","1","","de Moura, Thales Reggiani; Zanetti, Renan Diego; Silva, Debora Eduarda Soares; de Farias, Renan Lira; Mauro, Antonio Eduardo; Pereira, José Clayston Melo; de Souza, Aline Aparecida; da Silva Siqueira, Fábio; de Souza Júdice, Wagner Alves; Lima, Mauro Almeida; Rocha, Fillipe Vieira; Deflon, Victor Marcelo; Vieira de Godoy Netto, Adelino","Palladium(ii) complexes bearing 1-iminothiolate-3,5-dimethylpyrazoles: synthesis, cytotoxicity, DNA binding and enzymatic inhibition studies","New Journal of Chemistry","2020","44","45","19891","19901","10.1039/D0NJ02825H","","","0.71073","MoKα","","0.0442","0.0424","","","0.1079","0.109","","","","","","1.375","","","","has coordinates","259562","2020-12-05","11:36:34",""
"7060155","19.0333","0.0014","9.0499","0.0007","23.067","0.002","90","","90","","90","","3973.3","0.5","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H42 Dy2 N4 O16 -","- C36 H42 Dy2 N4 O16 -","- C144 H168 Dy8 N16 O64 -","4","0.5","","Li, Dawei; Ding, Man-Man; Ge, Yu; Tello Yepes, David Felipe; Sun, Mingyuan; Najib, Muhammad Saleem; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Assembling two Dy2 single-molecule magnets with different energy barriers via fine-tuning the geometries of DyIII sites","New Journal of Chemistry","2020","44","47","20634","20642","10.1039/D0NJ04009F","","","0.71073","MoKα","","0.0572","0.0488","","","0.1522","0.1574","","","","","","1.212","","","","has coordinates","259919","2020-12-16","04:18:54",""
"7060156","23.156","0.0009","12.3704","0.0005","16.9025","0.0006","90","","90","","90","","4841.7","0.3","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H52 Cl2 Dy2 N5 O16 -","- C41 H52 Cl2 Dy2 N5 O16 -","- C164 H208 Cl8 Dy8 N20 O64 -","4","1","","Li, Dawei; Ding, Man-Man; Ge, Yu; Tello Yepes, David Felipe; Sun, Mingyuan; Najib, Muhammad Saleem; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Assembling two Dy2 single-molecule magnets with different energy barriers via fine-tuning the geometries of DyIII sites","New Journal of Chemistry","2020","44","47","20634","20642","10.1039/D0NJ04009F","","","0.71073","MoKα","","0.0523","0.0429","","","0.1282","0.1351","","","","","","1.044","","","","has coordinates","259919","2020-12-16","04:18:55",""
"7060178","6.9637","0.0012","14.746","0.003","8.3103","0.0014","90","","96.011","0.003","90","","848.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Cl6 Cu2 N4 -","- C6 H22 Cl6 Cu2 N4 -","- C12 H44 Cl12 Cu4 N8 -","2","0.5","","Ke, Shanxue; Li, Mingli; Rao, Wenjun; Wei, Zhenhong; Cai, Hu","A square-pyramidal coordinated copper(ii) hydrazine dimeric complex showing reversible phase transition, dielectric anomaly and thermochromism","New Journal of Chemistry","2020","44","48","21288","21292","10.1039/D0NJ04668J","","","0.71073","MoKα","","0.028","0.0248","","","0.0624","0.0636","","","","","","1.127","","","","has coordinates","260076","2020-12-22","04:11:45",""
"7060179","6.9843","0.0008","14.7937","0.0015","8.3174","0.001","90","","95.968","0.011","90","","854.73","0.17","353","2","353","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Cl6 Cu2 N4 -","- C6 H22 Cl6 Cu2 N4 -","- C12 H44 Cl12 Cu4 N8 -","2","0.5","","Ke, Shanxue; Li, Mingli; Rao, Wenjun; Wei, Zhenhong; Cai, Hu","A square-pyramidal coordinated copper(ii) hydrazine dimeric complex showing reversible phase transition, dielectric anomaly and thermochromism","New Journal of Chemistry","2020","44","48","21288","21292","10.1039/D0NJ04668J","","","0.71073","MoKα","","0.1071","0.06","","","0.1403","0.1622","","","","","","1.002","","","","has coordinates","260076","2020-12-22","04:11:46",""
"7060180","15.606","0.003","9.991","0.002","16.737","0.004","90","","111.846","0.004","90","","2422.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H17 B N6 O2 -","- C31 H17 B N6 O2 -","- C124 H68 B4 N24 O8 -","4","1","","Wang, Ya-Fei; Zhang, Bing-Bing; Li, Zhuo; Wang, Bing; Jiao, Lin-Yu; Wang, Chen; Yang, Lin; Ma, Hai-Xia; Pang, Ling-Yan; Ma, Xiao-Xun","Efficient TiO2/SubPc photocatalyst for degradation of organic dyes under visible light","New Journal of Chemistry","2020","44","48","21192","21200","10.1039/D0NJ04383D","","","0.71073","MoKα","","0.1503","0.0664","","","0.1367","0.1716","","","","","","0.961","","","","has coordinates","260077","2020-12-22","04:12:17",""
"7060227","10.3681","0.0011","13.6354","0.0014","14.6562","0.0014","99.001","0.002","109.776","0.003","100.88","0.002","1859.5","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","complex1","","","- C76 H64 Cl2 F2 Mn4 N8 O20 Se2 -","- C76 H64 Cl2 F2 Mn4 N8 O20 Se2 -","- C76 H64 Cl2 F2 Mn4 N8 O20 Se2 -","1","0.5","","Zhang, Shao-Liang; Li, Shan-Shan; Li, Xin-Chao; Hou, Xian-Hui; Wang, Zhi-Cheng; Ji, Xiao-Ying; Chen, Lei","An aromatic selenite bridged Mn(iii) chain compound showing the coexistence of single chain magnet and metamagnet behaviour","New Journal of Chemistry","2020","44","46","19996","20000","10.1039/D0NJ04763E","","","0.71073","MoKα","","0.2513","0.1084","","","0.1907","0.2456","","","","","","1.051","","","","has coordinates,has disorder","260548","2021-01-06","03:01:25",""
"7060228","7.4343","0.0005","30.238","0.002","16.0736","0.0011","90","","98.342","0.002","90","","3575.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N5 O9 S2 -","- C39 H27 N5 O8 S -","- C156 H108 N20 O32 S4 -","4","1","","Ahmed, Ruby; Ali, Abid; Ahmad, Musheer; Alsalme, Ali; Khan, Rais Ahmad; Ali, Farman","Phenanthroimidazole derivatives as a chemosensor for picric acid: a first realistic approach","New Journal of Chemistry","2020","44","46","20092","20100","10.1039/D0NJ03422C","","","0.71073","MoKα","","0.0586","0.0427","","","0.0997","0.1121","","","","","","1.0916","","","","has coordinates,has disorder","260549","2021-01-06","03:02:16",""
"7060229","7.155","0.0007","13.5698","0.0012","13.6958","0.0013","115.283","0.003","100.531","0.003","94.796","0.003","1162.41","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N5 O8 -","- C27 H19 N5 O8 -","- C54 H38 N10 O16 -","2","1","","Ahmed, Ruby; Ali, Abid; Ahmad, Musheer; Alsalme, Ali; Khan, Rais Ahmad; Ali, Farman","Phenanthroimidazole derivatives as a chemosensor for picric acid: a first realistic approach","New Journal of Chemistry","2020","44","46","20092","20100","10.1039/D0NJ03422C","","","0.71073","MoKα","","0.0885","0.0542","","","0.1187","0.1437","","","","","","1.112","","","","has coordinates","260549","2021-01-06","03:02:17",""
"7060230","7.7601","0.0002","29.8742","0.001","18.9588","0.0006","90","","94.405","0.001","90","","4382.2","0.2","193","2","193.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Dy N7 O12 S4 -","- C35 H44 Dy N7 O12 S4 -","- C140 H176 Dy4 N28 O48 S16 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Wang, Jia; Zhang, Yi-Quan; Song, You","Switchable slow relaxation of magnetization in photochromic dysprosium(iii) complexes manipulated by a dithienylethene ligand","New Journal of Chemistry","2020","44","46","20129","20136","10.1039/D0NJ04457A","","","1.34139","GaKα","","0.0863","0.0659","","","0.1609","0.1687","","","","","","1.107","","","","has coordinates","260550","2021-01-06","03:03:11",""
"7060231","7.4367","0.0007","8.9281","0.0007","13.7147","0.0013","97.79","0.003","101.096","0.002","108.161","0.002","830.18","0.13","193","2","192.99","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 N2 O S2 -","- C17 H20 N2 O S2 -","- C34 H40 N4 O2 S4 -","2","1","","Kong, Ming; Feng, Xin; Li, Jing; Wang, Jia; Zhang, Yi-Quan; Song, You","Switchable slow relaxation of magnetization in photochromic dysprosium(iii) complexes manipulated by a dithienylethene ligand","New Journal of Chemistry","2020","44","46","20129","20136","10.1039/D0NJ04457A","","","1.34139","GaKα","","0.0495","0.049","","","0.1373","0.1377","","","","","","1.124","","","","has coordinates","260550","2021-01-06","03:03:11",""
"7060232","8.9475","0.0006","18.8073","0.0012","21.2856","0.0014","77.66","0.003","89.468","0.003","87.737","0.003","3496.4","0.4","193","2","192.99","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H60 Dy N9 O12 S6 -","- C51 H60 Dy N9 O12 S6 -","- C102 H120 Dy2 N18 O24 S12 -","2","1","","Kong, Ming; Feng, Xin; Li, Jing; Wang, Jia; Zhang, Yi-Quan; Song, You","Switchable slow relaxation of magnetization in photochromic dysprosium(iii) complexes manipulated by a dithienylethene ligand","New Journal of Chemistry","2020","44","46","20129","20136","10.1039/D0NJ04457A","","","0.71073","MoKα","","0.0994","0.0817","","","0.216","0.2276","","","","","","1.062","","","","has coordinates","260550","2021-01-06","03:03:11",""
"7060233","11.8375","0.0003","15.1552","0.0004","10.834","0.0003","90","","100.296","0.002","90","","1912.32","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F6 N O4 S -","- C21 H17 F6 N O4 S -","- C84 H68 F24 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0434","0.0342","","","0.086","0.0922","","","","","","1.021","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060234","12.3306","0.0004","10.6264","0.0003","15.1459","0.0004","90","","99.93","0.001","90","","1954.84","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F7 N O4 S -","- C20 H14 F7 N O4 S -","- C80 H56 F28 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0647","0.0432","","","0.1089","0.1215","","","","","","1.041","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060235","9.6619","0.0004","19.6122","0.0008","21.623","0.0009","90","","90","","90","","4097.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 F6 N O4 S -","- C21 H17 F6 N O4 S -","- C168 H136 F48 N8 O32 S8 -","8","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0631","0.0434","","","0.1084","0.1209","","","","","","1.029","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060236","12.1236","0.0003","15.5201","0.0004","10.6655","0.0003","90","","101.754","0.001","90","","1964.73","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br F6 N O4 S -","- C20 H14 Br F6 N O4 S -","- C80 H56 Br4 F24 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0318","0.0244","","","0.0601","0.063","","","","","","1.041","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060237","12.1445","0.0005","15.3437","0.0006","10.8727","0.0004","90","","101.776","0.001","90","","1983.39","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl F6 N O4 S -","- C20 H14 Cl F6 N O4 S -","- C80 H56 Cl4 F24 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0604","0.0404","","","0.0958","0.1079","","","","","","1.02","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060238","12.1261","0.0011","5.3231","0.0005","15.7434","0.0014","90","","99.951","0.006","90","","1000.92","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 F7 N O4 S -","- C20 H14 F7 N O4 S -","- C40 H28 F14 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.1333","0.0919","","","0.2438","0.2739","","","","","","1.069","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060239","12.8242","0.0018","5.186","0.0007","14.912","0.002","90","","99.717","0.018","90","","977.5","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl F6 N O4 S -","- C20 H14 Cl F6 N O4 S -","- C40 H28 Cl2 F12 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.79313","synchrotron","","0.0928","0.091","","","0.2213","0.2223","","","","","","1.057","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060240","13.111","0.003","5.176","0.001","14.827","0.003","90","","99.291","0.01","90","","993","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H14 Br F6 N O4 S -","- C20 H14 Br F6 N O4 S -","- C40 H28 Br2 F12 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.79313","synchrotron","","0.0597","0.0557","","","0.1282","0.1312","","","","","","1.048","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060241","12.3934","0.0003","16.166","0.0004","10.981","0.0002","90","","106.052","0.001","90","","2114.28","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 I N O4 S -","- C20 H14 F6 I N O4 S -","- C80 H56 F24 I4 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0561","0.0422","","","0.101","0.1105","","","","","","1.041","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060242","7.0956","0.0005","7.2718","0.0005","7.8386","0.0005","64.685","0.003","84.284","0.003","86.291","0.003","363.69","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H17 N5 O12 Zn -","- C4 H17 N5 O12 Zn -","- C4 H17 N5 O12 Zn -","1","0.5","","Lemes, Maykon Alves; do Nascimento Neto, José Antônio; Fernandes Guimarães, Freddy; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Terra Martins, Felipe","Secondary ligands and the intramolecular hydrogen bonds drive photoluminescence quantum yields from aminopyrazine coordination polymers","New Journal of Chemistry","2020","44","46","20259","20266","10.1039/D0NJ04558F","","","0.71073","MoKα","","0.0518","0.0488","","","0.1479","0.1491","","","","","","1.086","","","","has coordinates,has disorder","260552","2021-01-06","03:05:43",""
"7060243","7.451","0.004","7.883","0.003","11.51","0.006","88.788","0.011","89.634","0.013","63.936","0.018","607.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cd N5 O9 -","- C4 H11 Cd N5 O9 -","- C8 H22 Cd2 N10 O18 -","2","1","","Lemes, Maykon Alves; do Nascimento Neto, José Antônio; Fernandes Guimarães, Freddy; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Terra Martins, Felipe","Secondary ligands and the intramolecular hydrogen bonds drive photoluminescence quantum yields from aminopyrazine coordination polymers","New Journal of Chemistry","2020","44","46","20259","20266","10.1039/D0NJ04558F","","","0.71073","MoKα","","0.1106","0.0541","","","0.1397","0.1607","","","","","","1.03","","","","has coordinates","260552","2021-01-06","03:05:43",""
"7060244","37.242","0.004","14.5585","0.0016","13.8929","0.0015","90","","98.054","0.004","90","","7458.3","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H28.5 Cu2 N8.5 O8 -","- C40.5 H28.5 Cu2 N8.5 O8 -","- C324 H228 Cu16 N68 O64 -","8","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.076","0.0449","","","0.115","0.1294","","","","","","1.032","","","","has coordinates","260553","2021-01-06","03:06:55",""
"7060245","11.985","0.003","11.954","0.003","22.679","0.005","90","","97.516","0.003","90","","3221.3","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N6 O10 -","- C32 H28 N6 O10 -","- C128 H112 N24 O40 -","4","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.1774","0.062","","","0.1408","0.1781","","","","","","0.824","","","","has coordinates,has disorder","260553","2021-01-06","03:07:05",""
"7060246","13.0869","0.0004","23.3791","0.0007","14.8644","0.0004","90","","116.107","0.001","90","","4083.9","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H33 Cl Cu2 N6 O8 -","- C46 H33 Cl Cu2 N6 O8 -","- C184 H132 Cl4 Cu8 N24 O32 -","4","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.0502","0.0342","","","0.0866","0.0968","","","","","","1.045","","","","has coordinates,has disorder","260553","2021-01-06","03:07:08",""
"7060247","26.29","0.04","9.937","0.015","17.57","0.03","90","","121.9","0.02","90","","3897","11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 Cl Cu2 N6 O9 -","- C38 H31 Cl Cu2 N6 O9 -","- C152 H124 Cl4 Cu8 N24 O36 -","4","0.5","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.1125","0.0828","","","0.2208","0.2361","","","","","","1.124","","","","has coordinates,has disorder","260553","2021-01-06","03:07:19",""
"7060248","16.791","0.004","14.91","0.004","20.068","0.007","90","","92.35","0.05","90","","5020","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N4 O4 -","- C28 H22 N4 O4 -","- C224 H176 N32 O32 -","8","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.0906","0.0473","","","0.1126","0.1288","","","","","","0.976","","","","has coordinates","260553","2021-01-06","03:07:19",""
"7060249","11.1803","0.0002","11.3573","0.0002","15.1698","0.0003","90","","94.906","0.002","90","","1919.17","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br2 Cu N3 O7 -","- C16 H13 Br2 Cu N3 O7 -","- C64 H52 Br8 Cu4 N12 O28 -","4","1","","Zahmati Eraj, Malihe; Eriksson, Lars; Alibolandi, Mona; Babaei, Maryam; Saljooghi, Amir Sh.; Ramezani, Mohammad","Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand","New Journal of Chemistry","2020","44","46","20101","20114","10.1039/D0NJ03552A","","","0.71073","MoKα","","0.0542","0.048","","","0.1203","0.1254","","","","","","1.104","","","","has coordinates","260554","2021-01-06","03:08:26",""
"7060250","8.0772","0.0002","14.817","0.0003","15.2106","0.0003","90","","101.928","0.002","90","","1781.1","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cu F6 N2 O3 P -","- C16 H13 Cu F6 N2 O3 P -","- C64 H52 Cu4 F24 N8 O12 P4 -","4","1","","Zahmati Eraj, Malihe; Eriksson, Lars; Alibolandi, Mona; Babaei, Maryam; Saljooghi, Amir Sh.; Ramezani, Mohammad","Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand","New Journal of Chemistry","2020","44","46","20101","20114","10.1039/D0NJ03552A","","","0.71073","MoKα","","0.053","0.0485","","","0.136","0.1399","","","","","","1.051","","","","has coordinates","260554","2021-01-06","03:08:27",""
"7060251","8.153","0.002","11.328","0.003","22.236","0.007","93.697","0.007","92.344","0.007","107.709","0.007","1948.3","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cu2 F12 N4 O6 P2 -","- C36 H26 Cu2 F12 N4 O6 P2 -","- C72 H52 Cu4 F24 N8 O12 P4 -","2","1","","Zahmati Eraj, Malihe; Eriksson, Lars; Alibolandi, Mona; Babaei, Maryam; Saljooghi, Amir Sh.; Ramezani, Mohammad","Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand","New Journal of Chemistry","2020","44","46","20101","20114","10.1039/D0NJ03552A","","","0.71073","MoKα","","0.1827","0.1266","","","0.2552","0.2786","","","","","","1.179","","","","has coordinates","260554","2021-01-06","03:08:27",""
"7060252","10.3098","0.0008","7.7221","0.0014","26.353","0.002","90","","90","","90","","2098","0.4","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Zhou, Zhiqiang; Xu, Yao; Zhu, Boyu; Li, Ping; Hu, Guiwen; Yang, Fan; Xu, Shijie; Zhang, Xiaoxiang","One-pot synthesis of 3-hydroxy-2-oxindoles via acyloin rearrangements of 2-hydroxy-indolin-3-ones generated in situ from 2-alkynyl arylazides","New Journal of Chemistry","2020","44","46","20303","20307","10.1039/D0NJ04588H","","x-ray","0.71073","MoKα","","0.0498","0.0404","","","0.0899","0.0949","","","","","","1.077","","","","has coordinates","260555","2021-01-06","03:08:58",""
"7060253","8.637","0.0017","15.795","0.003","18.196","0.004","90","","98.15","0.03","90","","2457.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 O2 P2 Pt Si2 -","- C18 H36 O2 P2 Pt Si2 -","- C72 H144 O8 P8 Pt4 Si8 -","4","1","","Song, Hao; Zhang, Sen-Yu; Gu, Peng-Fei; Wu, Hua-Yu; Wang, Zi-Kun; Wang, Shi; Wang, Zheng; Gu, Yu-Yang; Li, Yong-Hua","Trapping of two mononuclear silyl platinum(ii)/palladium(ii) complexes and a unique dinuclear bis(μ2-disilene)(silyl)nickel(ii) complex","New Journal of Chemistry","2020","44","46","20351","20357","10.1039/D0NJ04079G","","","0.71073","MoKα","","0.1121","0.1075","","","0.2326","0.2375","","","","","","1.137","","","","has coordinates","260556","2021-01-06","03:09:40",""
"7060254","11.74","0.002","15.22","0.003","21.43","0.004","70.53","0.03","80.01","0.03","76.47","0.03","3490.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H108 Ni2 P4 Si4 -","- C64 H108 Ni2 P4 Si4 -","- C128 H216 Ni4 P8 Si8 -","2","1","","Song, Hao; Zhang, Sen-Yu; Gu, Peng-Fei; Wu, Hua-Yu; Wang, Zi-Kun; Wang, Shi; Wang, Zheng; Gu, Yu-Yang; Li, Yong-Hua","Trapping of two mononuclear silyl platinum(ii)/palladium(ii) complexes and a unique dinuclear bis(μ2-disilene)(silyl)nickel(ii) complex","New Journal of Chemistry","2020","44","46","20351","20357","10.1039/D0NJ04079G","","","0.71073","MoKα","","0.1065","0.0566","","","0.1228","0.1332","","","","","","0.794","","","","has coordinates","260556","2021-01-06","03:09:40",""
"7060255","11.747","0.002","13.118","0.003","13.202","0.003","94.02","0.03","113.95","0.03","95.58","0.03","1836.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 P2 Pd Si2 -","- C40 H50 P2 Pd Si2 -","- C80 H100 P4 Pd2 Si4 -","2","1","","Song, Hao; Zhang, Sen-Yu; Gu, Peng-Fei; Wu, Hua-Yu; Wang, Zi-Kun; Wang, Shi; Wang, Zheng; Gu, Yu-Yang; Li, Yong-Hua","Trapping of two mononuclear silyl platinum(ii)/palladium(ii) complexes and a unique dinuclear bis(μ2-disilene)(silyl)nickel(ii) complex","New Journal of Chemistry","2020","44","46","20351","20357","10.1039/D0NJ04079G","","","0.71073","MoKα","","0.0354","0.0333","","","0.0977","0.099","","","","","","1.07","","","","has coordinates","260556","2021-01-06","03:09:41",""
"7060256","5.9147","0.0004","9.6733","0.0007","9.9806","0.0007","74.397","0.004","77.06","0.003","79.148","0.004","531.02","0.07","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 Cl2 Mn N2 O3 -","- C7 H6 Cl2 Mn N2 O3 -","- C14 H12 Cl4 Mn2 N4 O6 -","2","1","","Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Gogoi, Anshuman; Verma, Akalesh K.; Dutta, Diksha; Sarma, Bipul; Bhattacharyya, Manjit K.","Oxalato bridged coordination polymer of manganese(iii) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2020","44","46","20021","20038","10.1039/D0NJ03712E","","","0.71073","MoKα","","0.0773","0.0753","","","0.2723","0.2732","","","","","","1.089","","","","has coordinates","260557","2021-01-06","03:10:20",""
"7124022","20.4932","0.0017","25.8736","0.0011","9.652","0.0004","90","","99.109","0.006","90","","5053.3","0.5","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H20.5 N3 O2.5 Zn -","- C20.5 H17.5 N3 O2 Zn -","- C164 H140 N24 O16 Zn8 -","8","1","","Ma, Xue; Zhang, Yanhao; Gao, Yu; Li, Xinglin; Wang, Cuijie; Yuan, Hang; Yu, Ajuan; Zhang, Shusheng; Cui, Yuanyuan","Revelation of the chiral recognition of alanine and leucine in an l-phenylalanine-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","7","1034","1037","10.1039/c9cc05912a","","x-ray","0.71073","MoKα","","0.1252","0.1005","","","0.3675","0.3893","","","","","","1.065","","","","has coordinates,has disorder","247604","2020-10-21","18:00:00",""
"7124515","11.36657","0.00018","11.383","0.0002","17.2143","0.0002","76.7608","0.0013","71.473","0.0012","64.7231","0.0017","1898.3","0.06","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Cu F6 N6 P -","- C41 H46 Cu F6 N6 P -","- C82 H92 Cu2 F12 N12 P2 -","2","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0357","0.0318","","","0.0827","0.0843","","","","","","1.027","","","","has coordinates","247568","2020-10-21","18:00:00",""
"7124516","10.8787","0.0002","19.7204","0.0004","18.0429","0.0004","90","","94.732","0.002","90","","3857.59","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H46 Cu F6 N6 P -","- C41 H46 Cu F6 N6 P -","- C164 H184 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0421","0.0407","","","0.1069","0.1079","","","","","","1.083","","","","has coordinates,has disorder","247568","2020-10-21","18:00:00",""
"7124517","15.83319","0.00017","17.71151","0.00019","12.63601","0.00015","90","","97.3523","0.001","90","","3514.38","0.07","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cu F6 N6 P -","- C37 H38 Cu F6 N6 P -","- C148 H152 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0376","0.0331","","","0.0797","0.0813","","","","","","1.033","","","","has coordinates,has disorder","247568","2020-10-21","18:00:00",""
"7124518","20.03506","0.00017","13.30252","0.00012","15.03486","0.00014","90","","90","","90","","4007.04","0.06","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H50 Cu F6 N6 P -","- C43 H50 Cu F6 N6 P -","- C172 H200 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0406","0.0392","","","0.1009","0.1018","","","","","","1.094","","","","has coordinates","247568","2020-10-21","18:00:00",""
"7125427","16.4849","0.0008","10.3567","0.0003","19.7384","0.0008","90","","98.596","0.005","90","","3332.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6a","product","","- C38 H38 N2 O4 S2 -","- C36 H38 N4 O4 S2 -","- C144 H152 N16 O16 S8 -","4","1","","Chen, Si-Kai; Yang, Ju-Song; Dai, Kun-Long; Zhang, Fu-Min; Zhang, Xiao-Ming; Tu, Yong-Qiang","Exploration of a KI-catalyzed oxidation system for direct construction of bispyrrolidino[2,3-b]indolines and the total synthesis of (+)-WIN 64821.","Chemical communications (Cambridge, England)","2020","56","1","121","124","10.1039/c9cc08646c","","","0.71","MoKα","","0.1081","0.0579","","","0.1276","0.1617","","","","","","0.94","","","","has coordinates","247570","2020-10-21","18:00:00",""
"7125428","27.8895","0.0003","6.8639","0.0001","34.3921","0.0003","90","","105.296","0.001","90","","6350.48","0.13","99.99","0.1","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","(E)-8-(2-fluoro-1-iodo-2-phenylvinyl)-4-methyldihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione","","- C13 H12 B F I N O4 -","- C13 H12 B F I N O4 -","- C208 H192 B16 F16 I16 N16 O64 -","16","2","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","x-ray","1.54184","CuKα","","0.0324","0.031","","","0.082","0.0844","","","","","","1.048","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125429","12.6367","0.0003","14.4997","0.0003","15.6349","0.0004","90","","90","","90","","2864.76","0.12","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B F I N O4 -","- C13 H14 B F I N O4 -","- C104 H112 B8 F8 I8 N8 O32 -","8","1","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","x-ray","1.54184","CuKα","","0.0688","0.0631","","","0.1825","0.1931","","","","","","1.117","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125430","12.7883","0.0002","11.1705","0.0002","10.9261","0.0002","90","","102.02","0.002","90","","1526.59","0.05","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F I N O4 -","- C14 H16 B F I N O4 -","- C56 H64 B4 F4 I4 N4 O16 -","4","1","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","","1.54184","CuKα","","0.0322","0.0309","","","0.0862","0.087","","","","","","1.137","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125441","8.8117","0.0005","5.8923","0.0003","11.6496","0.0007","90","","101.722","0.005","90","","592.25","0.06","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C28 H32 O4 -","2","0.5","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.0409","0.036","","","0.0904","0.0933","","","","","","1.028","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125442","8.6894","0.0004","5.8144","0.0003","23.4264","0.0012","90","","99.837","0.005","90","","1166.19","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C56 H68 O8 -","2","0.5","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.085","0.076","","","0.2267","0.2395","","","","","","1.078","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125443","8.7961","0.0006","5.8385","0.0004","22.8947","0.0014","90","","99.317","0.006","90","","1160.27","0.13","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","0.5","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.097","0.0814","","","0.2146","0.225","","","","","","1.122","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125444","12.6447","0.0004","17.9325","0.0005","10.8014","0.0003","90","","103.228","0.003","90","","2384.24","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C112 H120 O16 -","4","1","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.0432","0.0391","","","0.1002","0.1036","","","","","","1.052","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125445","10.3325","0.0002","12.4358","0.0003","21.5144","0.0005","95.149","0.002","99.946","0.002","98.812","0.002","2671.52","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 I14 N4 -","- C36 H32 I14 N4 -","- C72 H64 I28 N8 -","2","1","","Savastano, Matteo; Bazzicalupi, Carla; Gellini, Cristina; Bianchi, Antonio","Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I<sup>-</sup> and I<sub>2</sub> tectons.","Chemical communications (Cambridge, England)","2020","56","4","551","554","10.1039/c9cc08367g","","x-ray","0.71073","MoKα","","0.1093","0.0865","","","0.1697","0.1772","","","","","","1.113","","","","has coordinates","247592","2020-10-21","18:00:00",""
"7125446","10.1476","0.0007","13.0508","0.001","21.8164","0.0017","94.315","0.006","100.436","0.006","97.64","0.006","2801.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 I16 N4 -","- C36 H32 I16 N4 -","- C72 H64 I32 N8 -","2","1","","Savastano, Matteo; Bazzicalupi, Carla; Gellini, Cristina; Bianchi, Antonio","Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I<sup>-</sup> and I<sub>2</sub> tectons.","Chemical communications (Cambridge, England)","2020","56","4","551","554","10.1039/c9cc08367g","","x-ray","0.71073","MoKα","","0.177","0.091","","","0.2019","0.2618","","","","","","1.064","","","","has coordinates","247592","2020-10-21","18:00:00",""
"7125447","31.9544","0.001","16.4618","0.0005","17.8159","0.0005","90","","104.814","0.002","90","","9060.1","0.5","100","","99.71","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54178","CuKα","","0.1121","0.0695","","","0.1738","0.1967","","","","","","0.943","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125448","32.761","0.008","16.907","0.004","18.032","0.004","90","","106.009","0.009","90","","9600","4","240","","239.99","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.1439","0.0774","","","0.1999","0.2429","","","","","","0.92","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125449","32.45","0.02","16.983","0.009","18.105","0.014","90","","106.85","0.04","90","","9549","11","240","","240","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.1065","0.0619","","","0.1526","0.1763","","","","","","0.909","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125450","32.027","0.015","16.64","0.01","17.903","0.008","90","","105.183","0.014","90","","9208","8","160","2","159.99","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.0907","0.0655","","","0.1774","0.192","","","","","","1.048","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125451","31.8352","0.0013","16.6477","0.0006","17.9355","0.0006","90","","105.495","0.002","90","","9160","0.6","100","2","99.72","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54178","CuKα","","0.1181","0.0712","","","0.1735","0.2","","","","","","0.916","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125452","18.08","0.006","16.715","0.006","32.015","0.008","90","","106.028","0.012","90","","9299","5","160","2","160.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C156 H124 B4 Fe2 N12 O16 -","- C156 H124 B4 Fe2 N12 O16 -","- C312 H248 B8 Fe4 N24 O32 -","2","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.0829","0.0597","","","0.152","0.1619","","","","","","0.994","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125454","15.7507","0.0003","17.1271","0.0003","18.3836","0.0003","90","","104.119","0.002","90","","4809.42","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 N5 P2 -","- C57 H55 N5 P2 -","- C228 H220 N20 P8 -","4","1","","Groß, C; Sun, Y.; Jost, T.; Grimm, T.; Klein, M. P.; Niedner-Schatteburg, G; Becker, S.; Thiel, W. R.","Generation of a zinc and rhodium containing metallomacrocycle by rearrangement of a six-coordinate precursor complex.","Chemical communications (Cambridge, England)","2020","56","3","368","371","10.1039/c9cc07723e","","","1.54184","CuKα","","0.0407","0.0362","","","0.0933","0.0978","","","","","","1.038","","","","has coordinates,has disorder","247626","2020-10-21","18:00:00",""
"7125455","15.3537","0.0003","19.4633","0.0004","22.6951","0.0005","90.78","0.002","106.494","0.002","109.253","0.002","6096","0.2","150","2","150","2","","","","","","","","11","P -1","-P 1","2","","","","- C123 H124 B Cl6 F7 N10 O6 P4 Rh2 S Zn -","- C123 H124 B Cl6 F7 N10 O6 P4 Rh2 S Zn -","- C246 H248 B2 Cl12 F14 N20 O12 P8 Rh4 S2 Zn2 -","2","1","","Groß, C; Sun, Y.; Jost, T.; Grimm, T.; Klein, M. P.; Niedner-Schatteburg, G; Becker, S.; Thiel, W. R.","Generation of a zinc and rhodium containing metallomacrocycle by rearrangement of a six-coordinate precursor complex.","Chemical communications (Cambridge, England)","2020","56","3","368","371","10.1039/c9cc07723e","","","1.54184","CuKα","","0.0622","0.0525","","","0.1525","0.1599","","","","","","1.047","","","","has coordinates,has disorder","247626","2020-10-21","18:00:00",""
"7125625","9.2947","0.0001","11.819","0.0002","14.46","0.0006","85.569","0.006","82.125","0.007","67.021","0.006","1448.16","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl N O P -","- C15 H15 Cl N O P -","- C60 H60 Cl4 N4 O4 P4 -","4","2","","Itazaki, Masumi; Matsutani, Takanari; Nochida, Tomoya; Moriuchi, Toshiyuki; Nakazawa, Hiroshi","Convenient synthesis of phosphinecarboxamide and phosphinecarbothioamide by hydrophosphination of isocyanates and isothiocyanates.","Chemical communications (Cambridge, England)","2020","56","3","443","445","10.1039/c9cc08329d","","","0.7107","MoKα","","0.0546","0.0478","","","0.1146","0.1187","","","","","","1.106","","","","has coordinates","247625","2020-10-21","18:00:00",""
"7125626","14.3301","0.0009","15.1075","0.001","26.1181","0.0019","82.634","0.002","76.623","0.003","70.379","0.002","5173.7","0.6","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H126 Li2 O17.5 Sn7 -","- C94 H118 Li2 O16.5 Sn7 -","- C188 H236 Li4 O33 Sn14 -","2","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.0568","0.0372","","","0.0912","0.1067","","","","","","1.037","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125627","29.253","0.002","14.3128","0.0009","26.5807","0.0017","90","","90.276","0.003","90","","11129","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H140 Li2 O18 Sn8 -","- C104 H124 Li2 O16 Sn8 -","- C416 H496 Li8 O64 Sn32 -","4","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.1064","0.0576","","","0.1202","0.1386","","","","","","1.015","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125628","11.8667","0.0004","20.5281","0.0008","12.5639","0.0005","90","","106.359","0.001","90","","2936.67","0.19","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Al Li O6 -","- C30 H42 Al Li O6 -","- C120 H168 Al4 Li4 O24 -","4","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.0745","0.0542","","","0.1421","0.1531","","","","","","1.049","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125629","14.856","0.011","14.196","0.01","23.825","0.016","90","","90","","90","","5025","6","100","2","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Al Li O8 -","- C22 H40 Al Li O8 -","- C176 H320 Al8 Li8 O64 -","8","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.0947","0.0703","","","0.1843","0.2052","","","","","","1.135","","","","has coordinates","247621","2020-10-21","18:00:00",""
"7125630","14.2707","0.0006","14.2569","0.0006","31.4766","0.0013","70.797","0.002","67.696","0.002","60.735","0.002","5086.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H90 Li O8 Sn8 -","- C90 H87 Li0.5 O6 Sn8 -","- C180 H174 Li O12 Sn16 -","2","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.1763","0.1291","","","0.3265","0.3742","","","","","","1.035","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125634","12.0829","0.0002","14.8643","0.0003","21.7404","0.0015","89.974","0.006","89.321","0.006","75.472","0.007","3779.5","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","H4-1","","- C81 H118 N2 O10 -","- C81 H118 N2 O10 -","- C162 H236 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","","1.54187","CuKα","","0.136","0.0831","","","0.2333","0.2672","","","","","","0.961","","","","has coordinates","247567","2020-10-21","18:00:00",""
"7125635","12.4095","0.0004","20.4957","0.0006","21.0073","0.0015","112.176","0.008","96.805","0.007","98.937","0.007","4795.2","0.5","123","","123","","","","","","","","","4","P -1","-P 1","2","","H6-1","","- C101 H158 N2 O10 -","- C101 H158 N2 O10 -","- C202 H316 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","","1.54187","CuKα","","0.1549","0.0895","","","0.2141","0.2434","","","","","","0.843","","","","has coordinates","247567","2020-10-21","18:00:00",""
"7125636","12.1416","0.0003","18.0125","0.0006","21.0862","0.0009","71.058","0.004","84.427","0.003","84.478","0.002","4331","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","H5-1","","- C91 H131.01 N2 O10 -","- C91.67 H125.044 N2 O10 -","- C183.34 H250.088 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","x-ray","1.54184","CuKα","","0.1589","0.1334","","","0.3915","0.4254","","","","","","1.668","","","","has coordinates,has disorder","247567","2020-10-21","18:00:00",""
"7125637","12.9813","0.0005","20.477","0.0008","22.1377","0.0009","67.441","0.004","75.269","0.004","83.834","0.003","5255.4","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","H7-1","","- C111 H174 N2 O10 -","- C111 H174 N2 O10 -","- C222 H348 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","x-ray","1.54184","CuKα","","0.1254","0.0903","","","0.2319","0.2612","","","","","","1.008","","","","has coordinates","247567","2020-10-21","18:00:00",""
"7125638","9.2441","0.0016","9.5954","0.0016","10.6672","0.0018","73.867","0.004","70.65","0.004","78.883","0.004","852.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C46 H34 N2 O4 -","2","1","","Ajarul, Sk; Kayet, Anirban; Pati, Tanmay K.; Maiti, Dilip K.","A competitive and highly selective 7-, 6- and 5-annulation with 1,3-migration through C-H and N-H - alkyne coupling.","Chemical communications (Cambridge, England)","2020","56","3","474","477","10.1039/c9cc07360d","","","0.71073","MoKα","","0.062","0.0494","","","0.1318","0.1445","","","","","","1.034","","","","has coordinates","247620","2020-10-21","18:00:00",""
"7125639","8.893","0.009","10.21","0.011","11.258","0.01","80.88","0.04","85.5","0.03","69.03","0.03","942.2","1.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Ajarul, Sk; Kayet, Anirban; Pati, Tanmay K.; Maiti, Dilip K.","A competitive and highly selective 7-, 6- and 5-annulation with 1,3-migration through C-H and N-H - alkyne coupling.","Chemical communications (Cambridge, England)","2020","56","3","474","477","10.1039/c9cc07360d","","","0.71073","MoKα","","0.1584","0.0729","","","0.1759","0.2191","","","","","","0.907","","","","has coordinates","287943","2023-12-01","18:00:39",""
"7125640","27.3577","0.0009","27.3577","0.0009","38.0332","0.0012","90","","90","","90","","28465.7","1.6","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Fe40 Mo96 Na32 O625.43 P68 -","- Fe40 Mo96 Na32 O625.36 P68 -","- Fe80 Mo192 Na64 O1250.72 P136 -","2","0.0625","","Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia","Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.","Chemical communications (Cambridge, England)","2020","56","3","391","394","10.1039/c9cc08696j","","","0.71073","MoKα","","0.0574","0.0388","","","0.0968","0.1064","","","","","","1.083","","","","has coordinates,has disorder","247622","2020-10-21","18:00:00",""
"7125641","27.3329","0.0012","27.3329","0.0012","37.8621","0.0014","90","","90","","90","","28286","2","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Fe40 Mo96 Na32 O632 P68 -","- Fe40 Mo96 Na32 O632 P68 -","- Fe80 Mo192 Na64 O1264 P136 -","2","0.0625","","Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia","Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.","Chemical communications (Cambridge, England)","2020","56","3","391","394","10.1039/c9cc08696j","","","0.71073","MoKα","","0.042","0.0317","","","0.0897","0.0962","","","","","","1.051","","","","has coordinates,has disorder","247622","2020-10-21","18:00:00",""
"7125642","20.6034","0.0004","11.5855","0.0002","35.7054","0.0008","90","","97.72","0.002","90","","8445.7","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 O P2 Pd Si2 -","- C47 H54 O P2 Pd Si2 -","- C376 H432 O8 P16 Pd8 Si16 -","8","1","","Takahashi, Rina; Kubota, Koji; Ito, Hajime","Air- and moisture-stable Xantphos-ligated palladium dialkyl complex as a precatalyst for cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","3","407","410","10.1039/c9cc06946a","","x-ray","0.71073","MoKα","","0.0381","0.0337","","","0.0821","0.084","","","","","","1.075","","","","has coordinates","247624","2020-10-21","18:00:00",""
"7125644","10.423","0.0003","20.3482","0.0007","17.1498","0.0007","90","","106.795","0.004","90","","3482.1","0.2","292.8","0.3","292.8","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N6 O5 -","- C36 H48 N6 O5 -","- C144 H192 N24 O20 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","x-ray","1.54184","CuKα","","0.0901","0.0728","","","0.212","0.2348","","","","","","1.025","","","","has coordinates,has disorder","247605","2020-10-21","18:00:00",""
"7125645","10.4036","0.0002","19.888","0.0004","18.5228","0.0004","90","","103.284","0.002","90","","3729.95","0.13","292","3","292","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N6 O6 -","- C38 H52 N6 O6 -","- C152 H208 N24 O24 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","x-ray","1.54184","CuKα","","0.071","0.0643","","","0.1902","0.1986","","","","","","1.033","","","","has coordinates,has disorder","247605","2020-10-21","18:00:00",""
"7125646","9.699","0.0019","19.243","0.004","21.345","0.004","90","","94.14","0.03","90","","3973.4","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N6 O8 -","- C40 H54 N6 O8 -","- C160 H216 N24 O32 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","","0.7","synchrotron","","0.1445","0.1082","","","0.3457","0.3798","","","","","","1.424","","","","has coordinates,has disorder","247605","2020-10-21","18:00:00",""
"7125647","12.961","0.003","19.32","0.004","20.237","0.004","90","","93.98","0.03","90","","5055.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 B1.5 F6 N6 O9 -","- C42 H48 B1.5 F6 N6 O9 -","- C168 H192 B6 F24 N24 O36 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","","0.7","synchrotron","","0.2805","0.2412","","","0.576","0.6016","","","","","","2.254","","","","has coordinates","247605","2020-10-21","18:00:00",""
"7125648","10.3139","0.0009","11.338","0.001","12.384","0.001","63.811","0.008","72.144","0.008","69.542","0.008","1197.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Cl N2 O6 -","- C21 H29 Cl N2 O6 -","- C42 H58 Cl2 N4 O12 -","2","1","","Lei, Jian; Gao, Huaxin; Huang, Miaoling; Liu, Xiao; Mao, Yangfan; Xie, Xiaolan","Copper-catalyzed stereoselective alkylhydrazination of alkynes.","Chemical communications (Cambridge, England)","2020","56","6","920","923","10.1039/c9cc07998j","","","0.71073","MoKα","","0.0953","0.0528","","","0.1144","0.1395","","","","","","1.017","","","","has coordinates,has disorder","247602","2020-10-21","18:00:00",""
"7125649","14.7683","0.0009","9.6009","0.0005","12.4544","0.0007","90","","114.209","0.002","90","","1610.6","0.16","100.01","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 N5 -","- C44 H31 N5 -","- C88 H62 N10 -","2","0.5","","Bousfiha, Asmae; Dimé, Abdou K D; Mankou-Makaya, Amelle; Echaubard, Julie; Berthelot, Mathieu; Cattey, Hélène; Romieu, Anthony; Roger, Julien; Devillers, Charles H.","Regioselective C-H amination of free base porphyrins via electrogenerated pyridinium-porphyrins and stabilization of easily oxidized amino-porphyrins by protonation.","Chemical communications (Cambridge, England)","2020","56","6","884","887","10.1039/c9cc07351e","","x-ray","0.71073","MoKα","","0.0753","0.0517","","","0.1215","0.1423","","","","","","1.06","","","","has coordinates,has disorder","247599","2020-10-21","18:00:00",""
"7125650","11.0207","0.0005","15.2513","0.0008","27.7168","0.0015","90","","99.255","0.002","90","","4598","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H55.26 B Cl4 F4 N5 O1.63 Zn -","- C43 H54 B Cl4 F4 N5 O1.63 Zn -","- C172 H216 B4 Cl16 F16 N20 O6.52 Zn4 -","4","1","","Bousfiha, Asmae; Dimé, Abdou K D; Mankou-Makaya, Amelle; Echaubard, Julie; Berthelot, Mathieu; Cattey, Hélène; Romieu, Anthony; Roger, Julien; Devillers, Charles H.","Regioselective C-H amination of free base porphyrins via electrogenerated pyridinium-porphyrins and stabilization of easily oxidized amino-porphyrins by protonation.","Chemical communications (Cambridge, England)","2020","56","6","884","887","10.1039/c9cc07351e","","x-ray","0.71073","MoKα","","0.0894","0.0765","","","0.2048","0.2184","","","","","","1.035","","","","has coordinates,has disorder","247599","2020-10-21","18:00:00",""
"7125651","7.374","0.0003","6.8144","0.0003","13.6077","0.0005","90","","104.973","0.004","90","","660.56","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- I O7 P Pb2 -","- I O7 P Pb2 -","- I4 O28 P4 Pb8 -","4","1","","Zhang, Xiao-Han; Yang, Bing-Ping; Chen, Jin; Hu, Chun-Li; Fang, Zhi; Wang, Zujian; Mao, Jiang-Gao","A new iodate-phosphate Pb<sub>2</sub>(IO<sub>3</sub>)(PO<sub>4</sub>) achieving great improvement in birefringence activated by (IO<sub>3</sub>)<sup>-</sup> groups.","Chemical communications (Cambridge, England)","2020","56","4","635","638","10.1039/c9cc08739g","","","0.71073","MoKα","","0.0557","0.0491","","","0.1146","0.1213","","","","","","1.027","","","","has coordinates","247591","2020-10-21","18:00:00",""
"7125652","23.3486","0.0004","24.9671","0.0005","25.2132","0.0005","63.089","0.001","83.896","0.001","71.942","0.001","12450.7","0.4","100","","100","3","","","","","","","","6","P -1","-P 1","2","","","","- C192 H312 O21 P12 Ru6 S3 -","- C192 H312 O21 P12 Ru6 S3 -","- C384 H624 O42 P24 Ru12 S6 -","2","1","","Fink, Daniel; Orth, Nicole; Linseis, Michael; Ivanović-Burmazović, Ivana; Winter, Rainer F.","Ring size matters: supramolecular isomerism in self-assembled redox-active tetra- and hexaruthenium macrocycles.","Chemical communications (Cambridge, England)","2020","56","7","1062","1065","10.1039/c9cc09307a","","x-ray","0.71073","MoKα","","0.1399","0.0848","","","0.2212","0.2541","","","","","","1.05","","","","has coordinates","247603","2020-10-21","18:00:00",""
"7125653","11.9389","0.0009","17.383","0.0015","18.623","0.0015","102.732","0.006","98.198","0.006","101.465","0.006","3623.7","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H214 O14 P8 Ru4 S2 -","- C134 H214 O14 P8 Ru4 S2 -","- C134 H214 O14 P8 Ru4 S2 -","1","0.5","","Fink, Daniel; Orth, Nicole; Linseis, Michael; Ivanović-Burmazović, Ivana; Winter, Rainer F.","Ring size matters: supramolecular isomerism in self-assembled redox-active tetra- and hexaruthenium macrocycles.","Chemical communications (Cambridge, England)","2020","56","7","1062","1065","10.1039/c9cc09307a","","","0.71073","MoKα","","0.1321","0.0595","","","0.0787","0.0926","","","","","","0.866","","","","has coordinates","247603","2020-10-21","18:00:00",""
"7125654","15.7124","0.0006","35.8329","0.0017","16.5563","0.0007","90","","90.796","0.004","90","","9320.6","0.7","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H128 F6 N O12 P -","- C92 H128 F6 N O12 P -","- C368 H512 F24 N4 O48 P4 -","4","1","","Lu, Song-Bo; Chai, Hongxin; Ward, Jas S.; Quan, Mao; Zhang, Jin; Rissanen, Kari; Luo, Ray; Yang, Liu-Pan; Jiang, Wei","A 2,3-dialkoxynaphthalene-based naphthocage.","Chemical communications (Cambridge, England)","2020","56","6","888","891","10.1039/c9cc09585c","","x-ray","1.54184","CuKα","","0.2178","0.176","","","0.4702","0.4931","","","","","","1.673","","","","has coordinates,has disorder","247600","2020-10-21","18:00:00",""
"7125655","19.63","0.002","15.653","0.002","32.561","0.004","90","","91.963","0.004","90","","9999","2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gross191b (Pinky)","","","- C207 H58 Cl6 F80 N20 O16 Re4 -","- C207 H58 Cl6 F80 N20 O16 Re4 -","- C414 H116 Cl12 F160 N40 O32 Re8 -","2","0.5","","Yadav, Pinky; Fridman, Natalia; Mizrahi, Amir; Gross, Zeev","Rhenium(i) sapphyrins: remarkable difference between the C<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>-substituted derivatives.","Chemical communications (Cambridge, England)","2020","56","6","980","983","10.1039/c9cc08877f","","","0.71073","MoKα","","0.2072","0.0774","","","0.1478","0.1836","","","","","","0.925","","","","has coordinates,has disorder","247597","2020-10-21","18:00:00",""
"7125656","11.9191","0.001","13.1221","0.0011","19.0424","0.0017","90","","101.594","0.002","90","","2917.5","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gross254b (Pinky)","","","- C31 H12 F12 N5 O3 Re -","- C31 H12 F12 N5 O3 Re -","- C124 H48 F48 N20 O12 Re4 -","4","1","","Yadav, Pinky; Fridman, Natalia; Mizrahi, Amir; Gross, Zeev","Rhenium(i) sapphyrins: remarkable difference between the C<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>-substituted derivatives.","Chemical communications (Cambridge, England)","2020","56","6","980","983","10.1039/c9cc08877f","","","0.71073","MoKα","","0.0397","0.0321","","","0.0745","0.0775","","","","","","0.985","","","","has coordinates","247597","2020-10-21","18:00:00",""
"7125657","12.375","0.0004","13.5901","0.0005","16.7251","0.0007","103.174","0.003","110.846","0.003","94.834","0.003","2516.86","0.18","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- K10 Mo18 O94 P2 Ti2 -","- K10 Mo18 O94 P2 Ti2 -","- K10 Mo18 O94 P2 Ti2 -","1","0.5","","Xu, Ming; Wang, Ting; Li, Fengyan; Xu, Wenjuan; Zheng, Yue; Xu, Lin","Water-soluble titanium-polyoxomolybdate with external μ<sub>3</sub> bridging oxygen coordination on a lacunary Keggin structure.","Chemical communications (Cambridge, England)","2020","56","7","1097","1100","10.1039/c9cc07767g","","","0.71073","MoKα","","0.0871","0.0659","","","0.2011","0.226","","","","","","1.055","","","","has coordinates","247609","2020-10-21","18:00:00",""
"7125658","18.251","0.003","9.2828","0.0016","10.1645","0.0017","90","","90","","90","","1722.1","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H14 Na Ni O19 Ru2 -","- C4 H8 Na Ni O19 Ru2 -","- C16 H32 Na4 Ni4 O76 Ru8 -","4","0.5","","Li, Jing-Yu; Tian, Yu-Chen; Feng, Li-Na; Zhou, Zi-Qin; Wang, Lin-Lin; Yang, Jian-Hui; Liu, Bin","Enhancing magnetic hardness by sonication assisted synthesis of heterometallic carbonato spin-glass Na[Ni(H<sub>2</sub>O)<sub>4</sub>Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]·3H<sub>2</sub>O.","Chemical communications (Cambridge, England)","2020","56","9","1369","1372","10.1039/c9cc07876b","","","0.71073","MoKα","","0.053","0.0368","","","0.0991","0.108","","","","","","1.059","","","","has coordinates","247611","2020-10-21","18:00:00",""
"7125659","22.6155","0.0005","22.6155","0.0005","13.8933","0.0006","90","","90","","90","","7105.9","0.4","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H14 F N O2 -","- C24 H14 F N O2 -","- C384 H224 F16 N16 O32 -","16","1","","Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao","Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.","Chemical communications (Cambridge, England)","2020","56","8","1183","1186","10.1039/c9cc08713c","","","0.71073","MoKα","","0.134","0.0556","","","0.1045","0.1368","","","","","","1.021","","","","has coordinates","247584","2020-10-21","18:00:00",""
"7125660","8.1531","0.0002","11.9242","0.0003","12.194","0.0003","103.108","0.001","101.744","0.001","104.188","0.001","1076.41","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 Cl3 F N O2 -","- C25 H15 Cl3 F N O2 -","- C50 H30 Cl6 F2 N2 O4 -","2","1","","Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao","Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.","Chemical communications (Cambridge, England)","2020","56","8","1183","1186","10.1039/c9cc08713c","","","0.71073","MoKα","","0.0606","0.0444","","","0.0997","0.1109","","","","","","1.042","","","","has coordinates","247584","2020-10-21","18:00:00",""
"7125661","7.411","0.002","12.752","0.004","21.926","0.006","77.759","0.008","88.648","0.009","85.507","0.008","2018.7","1","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Br N O2 -","- C25 H18 Br N O2 -","- C100 H72 Br4 N4 O8 -","4","2","","Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao","Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.","Chemical communications (Cambridge, England)","2020","56","8","1183","1186","10.1039/c9cc08713c","","","0.71073","MoKα","","0.1752","0.0627","","","0.148","0.1901","","","","","","1.022","","","","has coordinates","247584","2020-10-21","18:00:00",""
"7125662","8.2804","0.0004","8.1597","0.0003","23.4123","0.0009","90","","90.403","0.001","90","","1581.83","0.11","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Yi, Xiangyan; Feng, Jiajun; Huang, Fei; Baell, Jonathan Bayldon","Metal-free C-C, C-O, C-S and C-N bond formation enabled by SBA-15 supported TFMSA.","Chemical communications (Cambridge, England)","2020","56","8","1243","1246","10.1039/c9cc08389h","","","0.71073","MoKα","","0.0696","0.058","","","0.1491","0.1606","","","","","","1.054","","","","has coordinates,has disorder","247583","2020-10-21","18:00:00",""
"7125663","10.7065","0.0005","12.0739","0.0005","17.4608","0.0008","78.288","0.001","83.301","0.001","70.195","0.001","2076.61","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","2","","Yi, Xiangyan; Feng, Jiajun; Huang, Fei; Baell, Jonathan Bayldon","Metal-free C-C, C-O, C-S and C-N bond formation enabled by SBA-15 supported TFMSA.","Chemical communications (Cambridge, England)","2020","56","8","1243","1246","10.1039/c9cc08389h","","","0.71073","MoKα","","0.063","0.0485","","","0.113","0.1239","","","","","","1.022","","","","has coordinates","247583","2020-10-21","18:00:00",""
"7125664","24.4967","0.0008","14.9469","0.0005","32.9263","0.0009","90","","95.346","0.001","90","","12003.5","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H76 K2 N6 O14 Te3 -","- C50 H76 K2 N6 O14 Te3 -","- C400 H608 K16 N48 O112 Te24 -","8","1","","Puskarevsky, Nikolay A.; Smolentsev, Anton I.; Dmitriev, Alexey A.; Vargas-Baca, Ignacio; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by TeN chalcogen bonding.","Chemical communications (Cambridge, England)","2020","56","7","1113","1116","10.1039/c9cc08110k","","","0.71073","MoKα","","0.0601","0.0365","","","0.067","0.0718","","","","","","1.019","","","","has coordinates","247610","2020-10-21","18:00:00",""
"7125665","9.24","0.0018","12.733","0.003","22.312","0.005","90","","96.38","0.007","90","","2608.8","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N3 O4 S -","- C33 H25 N3 O4 S -","- C132 H100 N12 O16 S4 -","4","1","","Kahar, Nilesh; Jadhav, Pankaj; Reddy, R. V. Ramana; Dawande, Sudam","A rhodium(ii) catalysed domino synthesis of azepino fused diindoles from isatin tethered N-sulfonyl-1,2,3-triazoles and indoles.","Chemical communications (Cambridge, England)","2020","56","8","1207","1210","10.1039/c9cc08377d","","x-ray","0.71073","MoKα","","0.1226","0.0605","","","0.0933","0.1091","","","","","","1.075","","","","has coordinates","247579","2020-10-21","18:00:00",""
"7125666","10.8543","0.0011","11.773","0.0011","11.9282","0.001","106.799","0.004","100.94","0.004","116.237","0.004","1216.1","0.2","282","2","282","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N3 O4 S -","- C29 H23 N3 O4 S -","- C58 H46 N6 O8 S2 -","2","1","","Kahar, Nilesh; Jadhav, Pankaj; Reddy, R. V. Ramana; Dawande, Sudam","A rhodium(ii) catalysed domino synthesis of azepino fused diindoles from isatin tethered N-sulfonyl-1,2,3-triazoles and indoles.","Chemical communications (Cambridge, England)","2020","56","8","1207","1210","10.1039/c9cc08377d","","","0.71073","MoKα","","0.1673","0.0725","","","0.1299","0.1617","","","","","","1.016","","","","has coordinates","247579","2020-10-21","18:00:00",""
"7125667","12.8892","0.0004","14.4794","0.0004","21.3927","0.0006","100.456","0.002","103.983","0.001","94.972","0.001","3774.03","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H86 N2 O4 -","- C96 H86 N2 O4 -","- C192 H172 N4 O8 -","2","1","","Phukon, Jyotshna; Gogoi, Sanjib","Palladium(ii)-catalyzed vinylic geminal double C-H activation and alkyne annulation reaction: synthesis of pentafulvenes.","Chemical communications (Cambridge, England)","2020","56","7","1133","1136","10.1039/c9cc09564k","","","0.71073","MoKα","","0.1256","0.0686","","","0.1869","0.2257","","","","","","1.048","","","","has coordinates","247606","2020-10-21","18:00:00",""
"7125668","13.0085","0.0006","24.5621","0.001","16.7777","0.0007","90","","92.839","0.002","90","","5354.2","0.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C85.01 H62.56 Cl0.94 N6 O24.27 S0.27 -","- C85.007 H62.55 Cl0.942 N6 O24.268 S0.268 -","- C170.014 H125.1 Cl1.884 N12 O48.536 S0.536 -","2","0.5","","Wang, Weikun; Finnegan, Tyler J.; Lei, Zhiquan; Zhu, Xingrong; Moore, Curtis E.; Shi, Kejia; Badjić, Jovica D","Tuning the allosteric sequestration of anticancer drugs for developing cooperative nano-antidotes.","Chemical communications (Cambridge, England)","2020","56","8","1271","1274","10.1039/c9cc09373g","","x-ray","0.71073","MoKα","","0.1042","0.0879","","","0.2481","0.2844","","","","","","1.09","","","","has coordinates,has disorder","247578","2020-10-21","18:00:00",""
"7125669","35.431","0.011","5.4941","0.0016","20.15","0.008","90","","108.517","0.008","90","","3719","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Na4 O22 S8 -","- C18 H42 Na4 O22 S8 -","- C72 H168 Na16 O88 S32 -","4","0.5","","Gerken, James B.; Stamoulis, Alexios; Suh, Sung-Eun; Fischer, Nicholas D.; Kim, Yeon Jung; Guzei, Ilia A.; Stahl, Shannon S.","Efficient electrochemical synthesis of robust, densely functionalized water soluble quinones.","Chemical communications (Cambridge, England)","2020","56","8","1199","1202","10.1039/c9cc08878d","","x-ray","0.71073","MoKα","","0.0275","0.0237","","","0.0599","0.0619","","","","","","1.06","","","","has coordinates","247580","2020-10-21","18:00:00",""
"7125670","19.151","0.005","5.113","0.0016","29.21","0.007","90","","96.888","0.013","90","","2839.6","1.3","100","2","100.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Na4 O17 S8 -","- C14 H22 Na4 O17 S8 -","- C56 H88 Na16 O68 S32 -","4","0.5","","Gerken, James B.; Stamoulis, Alexios; Suh, Sung-Eun; Fischer, Nicholas D.; Kim, Yeon Jung; Guzei, Ilia A.; Stahl, Shannon S.","Efficient electrochemical synthesis of robust, densely functionalized water soluble quinones.","Chemical communications (Cambridge, England)","2020","56","8","1199","1202","10.1039/c9cc08878d","","x-ray","0.71073","MoKα","K-L~3~","0.0344","0.0289","","","0.0723","0.0746","","","","","","1.076","","","","has coordinates","247580","2020-10-21","18:00:00",""
"7125671","14.8474","0.0005","30.043","0.0015","26.3798","0.0006","90","","90","","90","","11767","0.8","173","0.1","173","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H23 Br I N O3 S -","- C28 H23 Br I N O3 S -","- C448 H368 Br16 I16 N16 O48 S16 -","16","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Song, Xian-Rong; Wei, Xi; Chen, Hui; Li, Shun-Xi; Wang, Xi-Cun; Huo, Congde; Quan, Zheng-Jun; Liang, Yong-Min","Iodine promoted cascade cycloisomerization of 1-en-6,11-diynes.","Chemical communications (Cambridge, England)","2020","56","9","1421","1424","10.1039/c9cc08286g","","","0.71073","MoKα","","0.1245","0.0609","","","0.0829","0.1049","","","","","","0.978","","","","has coordinates","247618","2020-10-21","18:00:00",""
"7125672","25.67","0.002","10.522","0.0007","9.8072","0.0012","90","","90","","90","","2648.9","0.4","292.86","0.1","292.86","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H23 I N2 O3 S -","- C29 H23 I N2 O3 S -","- C116 H92 I4 N8 O12 S4 -","4","1","","Qiu, Yi-Feng; Niu, Yue-Jie; Song, Xian-Rong; Wei, Xi; Chen, Hui; Li, Shun-Xi; Wang, Xi-Cun; Huo, Congde; Quan, Zheng-Jun; Liang, Yong-Min","Iodine promoted cascade cycloisomerization of 1-en-6,11-diynes.","Chemical communications (Cambridge, England)","2020","56","9","1421","1424","10.1039/c9cc08286g","","x-ray","0.71073","MoKα","","0.0755","0.0515","","","0.0938","0.1061","","","","","","1.067","","","","has coordinates","247618","2020-10-21","18:00:00",""
"7125673","9.549","0.002","21.299","0.004","9.583","0.002","90","","111.2","0.03","90","","1817.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 -","- C23 H15 N3 -","- C92 H60 N12 -","4","1","","Biswas, Aniruddha; Bera, Satabdi; Poddar, Puja; Dhara, Dibakar; Samanta, Rajarshi","Rh(iii)-Catalyzed tandem indole C4-arylamination/annulation with anthranils: access to indoloquinolines and their application in photophysical studies.","Chemical communications (Cambridge, England)","2020","56","9","1440","1443","10.1039/c9cc08372c","","","0.71073","MoKα","","0.0897","0.0495","","","0.1274","0.1548","","","","","","1.031","","","","has coordinates","247616","2020-10-21","18:00:00",""
"7125674","35.439","0.004","35.468","0.004","7.9392","0.0008","90","","90","","90","","9979.2","1.9","110","2","110","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C56 H41 B F20 N O P -","- C56 H41 B F20 N O P -","- C448 H328 B8 F160 N8 O8 P8 -","8","2","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.0649","0.0466","","","0.0911","0.0982","","","","","","1.019","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125675","9.5438","0.0003","9.7293","0.0003","15.436","0.0005","90.316","0.001","93.438","0.001","110.986","0.001","1335.26","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 N O3 P -","- C26 H45 N O3 P -","- C52 H90 N2 O6 P2 -","2","1","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.0468","0.0385","","","0.0952","0.1008","","","","","","1.033","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125676","10.5072","0.0003","14.0611","0.0003","18.7738","0.0005","90","","103.585","0.001","90","","2696.09","0.12","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O P -","- C32 H41 N O P -","- C128 H164 N4 O4 P4 -","4","1","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.0539","0.0415","","","0.1056","0.1129","","","","","","1.036","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125677","18.3588","0.0005","15.6255","0.0003","17.7751","0.0005","90","","95.085","0.001","90","","5079","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H82 N2 O6 P2 -","- C52 H82 N2 O6 P2 -","- C208 H328 N8 O24 P8 -","4","1","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.078","0.0457","","","0.0999","0.1133","","","","","","1.009","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125678","12.1107","0.0002","12.1107","0.0002","52.4973","0.0014","90","","90","","90","","7699.7","0.3","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C336 H320 O112 -","16","1","","Peng, Haiyun; Wan, Yinbo; Zhang, Yu; Deng, Guisheng","Synthesis of 2-alkenylfurans via a Ag(i)-catalyzed tandem cyclization/cross-coupling reaction of enynones with iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","9","1417","1420","10.1039/c9cc08561k","","x-ray","1.54184","CuKα","","0.045","0.0431","","","0.1102","0.1122","","","","","","1.069","","","","has coordinates","247615","2020-10-21","18:00:00",""
"7125679","9.7605","0.0002","10.6398","0.0003","17.7151","0.0004","94.6517","0.0018","98.1677","0.0018","90.4055","0.0018","1814.73","0.08","120","1","120","1","","","","","","","","6","P 1","P 1","1","","","","- C38 H46 Mg N3 O3.5 Si -","- C38 H46 Mg N3 O3.5 Si -","- C76 H92 Mg2 N6 O7 Si2 -","2","2","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","1.54184","CuKα","","0.0453","0.0395","","","0.0982","0.1009","","","","","","1.013","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125680","10.60635","0.00016","16.6805","0.0003","19.3703","0.0002","90","","90","","90","","3426.98","0.09","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 B Mg N3 O5 -","- C38 H44 B Mg N3 O5 -","- C152 H176 B4 Mg4 N12 O20 -","4","1","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","0.71073","MoKα","","0.067","0.0496","","","0.1127","0.1207","","","","","","1.025","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125681","9.5675","0.0004","9.7347","0.0004","11.497","0.0003","65.663","0.003","88.065","0.003","84.019","0.003","970.28","0.07","120","1","120","1","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 F Mg N3 O5 -","- C44 H46 F Mg N3 O5 -","- C44 H46 F Mg N3 O5 -","1","1","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0271","0.0256","","","0.0618","0.0631","","","","","","1.035","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125682","9.9833","0.0002","11.7354","0.0002","34.8372","0.0007","90","","97.4542","0.0019","90","","4046.96","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O2 -","- C27 H24 O2 -","- C216 H192 O16 -","8","2","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.065","0.048","","","0.1054","0.1133","","","","","","1.025","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125683","10.6375","0.0005","16.3123","0.0007","12.1927","0.0006","90","","102.832","0.005","90","","2062.86","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N S -","- C13 H9 N S -","- C104 H72 N8 S8 -","8","2","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.0855","0.055","","","0.1036","0.1155","","","","","","1.035","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125684","8.9324","0.0005","5.7383","0.0003","21.1175","0.0013","90","","98.605","0.006","90","","1070.23","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N -","- C15 H13 N -","- C60 H52 N4 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.1026","0.0694","","","0.1528","0.1694","","","","","","1.033","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125685","12.8804","0.0004","9.8767","0.0003","13.8827","0.0005","90","","101.424","0.003","90","","1731.11","0.1","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.0371","0.0348","","","0.0812","0.0826","","","","","","1.055","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125686","28.003","0.003","38.235","0.004","26.324","0.003","90","","99.404","0.002","90","","27806","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C152 H254 As16 N16 Na6 O72 Sn14 -","- C152 H190 As16 N16 Na6 O60 Sn14 -","- C608 H760 As64 N64 Na24 O240 Sn56 -","4","0.5","","Zhu, Yu; Zhang, Jian; Zhang, Lei","A core-shell type alkyl-Sn-oxo cluster of {Sn<sub>14</sub>As<sub>16</sub>} bridged by 4-aminophenylarsonate ligands and incorporated with a {Na<sub>6</sub>} cluster.","Chemical communications (Cambridge, England)","2020","56","9","1433","1435","10.1039/c9cc08293j","","","0.71073","MoKα","","0.0615","0.0535","","","0.1377","0.1433","","","","","","1.027","","","","has coordinates,has disorder","247614","2020-10-21","18:00:00",""
"7125687","8.3732","0.0005","13.5112","0.0007","5.8925","0.0003","90","","90","","90","","666.63","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H5 N O2 Se -","- C6 H5 N O2 Se -","- C24 H20 N4 O8 Se4 -","4","1","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.0329","0.0325","","","0.0877","0.088","","","","","","1.016","","","","has coordinates","247581","2020-10-21","18:00:00",""
"7125688","17.2294","0.0001","17.2294","0.0001","14.773","0.0002","90","","90","","90","","4385.4","0.07","100","2","100","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H6 N2 Ni O5 Se3 -","- C12 H6 N2 Ni O5 Se3 -","- C96 H48 N16 Ni8 O40 Se24 -","8","0.5","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.0632","0.058","","","0.1583","0.1638","","","","","","1.041","","","","has coordinates,has disorder","247581","2020-10-21","18:00:00",""
"7125689","6.7387","0.0008","7.6141","0.0011","9.7024","0.0011","104.872","0.012","91.645","0.01","109.701","0.012","449.33","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N2 Ni O12 Se2 -","- C12 H16 N2 Ni O12 Se2 -","- C12 H16 N2 Ni O12 Se2 -","1","0.5","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.1052","0.0754","","","0.1722","0.2036","","","","","","1.002","","","","has coordinates","247581","2020-10-21","18:00:00",""
"7125690","9.7656","0.0003","22.5128","0.0005","11.5704","0.0003","90","","110.736","0.003","90","","2378.98","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N3 O2 P -","- C28 H24 N3 O2 P -","- C112 H96 N12 O8 P4 -","4","1","","Mei, Ruhuai; Fang, Xinyue; He, Liang; Sun, Junmei; Zou, Liang; Ma, Wenbo; Ackermann, Lutz","Cobaltaelectro-catalyzed oxidative allene annulation by electro-removable hydrazides.","Chemical communications (Cambridge, England)","2020","56","9","1393","1396","10.1039/c9cc09076b","","","1.54184","CuKα","","0.071","0.0618","","","0.1683","0.1834","","","","","","1.016","","","","has coordinates","247619","2020-10-21","18:00:00",""
"7125691","9.6378","0.0004","11.2515","0.0005","24.9151","0.0007","87.202","0.003","83.8","0.003","78.211","0.004","2628.33","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O -","- C16 H19.009 N O -","- C128 H152.072 N8 O8 -","8","4","","Mei, Ruhuai; Fang, Xinyue; He, Liang; Sun, Junmei; Zou, Liang; Ma, Wenbo; Ackermann, Lutz","Cobaltaelectro-catalyzed oxidative allene annulation by electro-removable hydrazides.","Chemical communications (Cambridge, England)","2020","56","9","1393","1396","10.1039/c9cc09076b","","x-ray","1.54184","CuKα","","0.0826","0.0746","","","0.2061","0.2191","","","","","","1.037","","","","has coordinates,has disorder","247619","2020-10-21","18:00:00",""
"7125692","7.25874","0.00008","6.61591","0.00006","18.72215","0.00018","90","","91.4852","0.0009","90","","898.795","0.015","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O5 S2 -","- C14 H24 N2 O5 S2 -","- C28 H48 N4 O10 S4 -","2","1","","Escolano, Marcos; Guerola, Marta; Torres, Javier; Gaviña, Daniel; Alzuet-Piña, Gloria; Sánchez-Rosello, María; Del Pozo, Carlos","Organocatalytic enantioselective synthesis of 2,5,5-trisubstituted piperidines bearing a quaternary stereocenter. Vinyl sulfonamide as a new amine protecting group.","Chemical communications (Cambridge, England)","2020","56","9","1425","1428","10.1039/c9cc09113k","","x-ray","1.54184","CuKα","","0.0251","0.0248","","","0.0655","0.0657","","","","","","1.059","","","","has coordinates","247613","2020-10-21","18:00:00",""
"7125693","16.3019","0.0004","56.2981","0.0012","19.6862","0.0004","90","","98.299","0.002","90","","17878.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89 H125 Cl3 N8 O12 -","- C88.9995 H124.999 Cl2.9985 N8 O12 -","- C711.996 H999.996 Cl23.988 N64 O96 -","8","2","","Ye, Zecong; Wang, Jian; Kothapalli, Sudarshana Santhosh Kumar; Yang, Zhiyao; Chen, Lixi; Xu, Weitao; Cai, Yimin; Zhang, Tinghui; Xiao, Xin; Deng, Pengchi; Feng, Wen; Yuan, Lihua","Controlling the selective synthesis of [2]- and [3]rotaxanes by intermolecular steric hindrance between the macrocyclic hosts.","Chemical communications (Cambridge, England)","2020","56","7","1066","1069","10.1039/c9cc08253k","","","1.54184","CuKα","","0.1437","0.0994","","","0.2401","0.2818","","","","","","1.026","","","","has coordinates,has disorder","247607","2020-10-21","18:00:00",""
"7125694","14.0229","0.0005","16.6854","0.0007","17.42","0.0005","100.477","0.003","97.247","0.003","114.357","0.004","3558","0.3","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C137 H197 F12 N10 O20 P2 -","- C137 H178 F12 N10 O20 P2 -","- C137 H178 F12 N10 O20 P2 -","1","0.5","","Ye, Zecong; Wang, Jian; Kothapalli, Sudarshana Santhosh Kumar; Yang, Zhiyao; Chen, Lixi; Xu, Weitao; Cai, Yimin; Zhang, Tinghui; Xiao, Xin; Deng, Pengchi; Feng, Wen; Yuan, Lihua","Controlling the selective synthesis of [2]- and [3]rotaxanes by intermolecular steric hindrance between the macrocyclic hosts.","Chemical communications (Cambridge, England)","2020","56","7","1066","1069","10.1039/c9cc08253k","","x-ray","1.54184","CuKα","","0.0889","0.0745","","","0.2131","0.2308","","","","","","1.054","","","","has coordinates,has disorder","247607","2020-10-21","18:00:00",""
"7125695","19.184","0.004","16.616","0.003","23.789","0.005","90","","110.8","0.03","90","","7089","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DippL2Ti_k2-S(CH)3CH","","- C74 H92 N6 S Ti -","- C74 H92 N6 S Ti -","- C296 H368 N24 S4 Ti4 -","4","1","","Gómez-Torres, Alejandra; Aguilar-Calderón, J Rolando; Saucedo, Carlos; Jordan, Aldo; Metta-Magaña, Alejandro; Pinter, Balazs; Fortier, Skye","Reversible oxidative-addition and reductive-elimination of thiophene from a titanium complex and its thermally-induced hydrodesulphurization chemistry.","Chemical communications (Cambridge, England)","2020","56","10","1545","1548","10.1039/c9cc09267f","","","0.71073","MoKα","","0.0921","0.0673","","","0.1837","0.2059","","","","","","1.032","","","","has coordinates,has disorder","248800","2020-10-21","18:00:00",""
"7125696","16.426","0.0008","14.4027","0.0007","20.5958","0.0009","90","","111.107","0.002","90","","4545.6","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 Dy N5 O1.5 S4 -","- C39 H58 Dy N5 O1.5 S4 -","- C156 H232 Dy4 N20 O6 S16 -","4","1","","Canaj, Angelos B.; Dey, Sourav; Céspedes, Oscar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","There is nothing wrong with being soft: using sulfur ligands to increase axiality in a Dy(iii) single-ion magnet.","Chemical communications (Cambridge, England)","2020","56","10","1533","1536","10.1039/c9cc07292f","","","0.71073","MoKα","","0.0267","0.0231","","","0.0634","0.0665","","","","","","1.042","","","","has coordinates,has disorder","248797","2020-10-21","18:00:00",""
"7125697","10.884","0.003","16.71","0.005","22.133","0.006","76.662","0.005","86.906","0.005","86.074","0.005","3904.6","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Cl6 Ga2 N6 -","- C32 H32 Cl6 Ga2 N4 -","- C128 H128 Cl24 Ga8 N16 -","4","2","","Robin, Perrine; Singh, Kuldip; Suntharalingam, Kogularamanan","Gallium(iii)-polypyridyl complexes as anti-osteosarcoma stem cell agents.","Chemical communications (Cambridge, England)","2020","56","10","1509","1512","10.1039/c9cc08962d","","","0.71073","MoKα","","0.114","0.0604","","","0.1253","0.1419","","","","","","0.782","","","","has coordinates,has disorder","248799","2020-10-21","18:00:00",""
"7125698","16.7954","0.0001","10.6132","0.0001","16.8783","0.0001","90","","119.057","0.001","90","","2629.93","0.04","100","2","100","2","","","","","","","Lindera glauca?Lindera?Lauraceae","3","P 1 21 1","P 2yb","4","Guaianelactone A","(1S,3aR,4R,7R,8aS)-4-hydroxy-1,4-dimethyl-9-methyleneoctahydro-1H-3a,7-(epoxyethano)azulen-10-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","4","","Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang","Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.","Chemical communications (Cambridge, England)","2020","56","10","1517","1520","10.1039/c9cc09159a","","","1.54184","CuKα","","0.0319","0.0309","","","0.0791","0.08","","","","","","1.049","","","","has coordinates","248802","2020-10-21","18:00:00",""
"7125699","9.72709","0.00004","9.72709","0.00004","28.60837","0.00018","90","","90","","90","","2706.82","0.02","100.01","0.1","100.01","0.1","","","","","","","Lindera glauca, Lindera, Lauraceae","3","P 41 21 2","P 4abw 2nw","92","Guaianelactone C","(4R,7S,7aS,10R,10aR)-10-hydroxy-7,10-dimethyl-3-methyleneoctahydro-4,10a-methanocyclopenta[b]oxonin-2(3H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","1","","Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang","Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.","Chemical communications (Cambridge, England)","2020","56","10","1517","1520","10.1039/c9cc09159a","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0686","0.069","","","","","","1.072","","","","has coordinates","248802","2020-10-21","18:00:00",""
"7125700","17.3922","0.0002","14.5028","0.0002","20.3353","0.0002","90","","108.868","0.001","90","","4853.67","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1","","- C32 H79 B3 Na O8 Si4 U -","- C32 H79 B3 Na O8 Si4 U -","- C128 H316 B12 Na4 O32 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.","Chemical communications (Cambridge, England)","2020","56","6","944","947","10.1039/c9cc09018e","","x-ray","1.54184","CuKα","","0.0412","0.0359","","","0.091","0.096","","","","","","1.026","","","","has coordinates,has disorder","247598","2020-10-21","18:00:00",""
"7125701","15.5143","0.0005","15.8092","0.0008","16.0534","0.0005","90","","97.572","0.003","90","","3903.1","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2","","- C24 H64 B3 K O2 Si4 U -","- C24 H52 B3 K O2 Si4 U -","- C96 H208 B12 K4 O8 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.","Chemical communications (Cambridge, England)","2020","56","6","944","947","10.1039/c9cc09018e","","x-ray","1.54184","CuKα","","0.1552","0.0991","","","0.269","0.3009","","","","","","0.974","","","","has coordinates,has disorder","247598","2020-10-21","18:00:00",""
"7125702","13.20381","0.00014","26.1179","0.0003","20.8685","0.0002","90","","97.5838","0.0011","90","","7133.67","0.13","100.15","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3","","- C52 H123.7 B Na O4 Si8 U -","- C52 H123.7 B Na O4 Si8 U -","- C208 H494.8 B4 Na4 O16 Si32 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.","Chemical communications (Cambridge, England)","2020","56","6","944","947","10.1039/c9cc09018e","","x-ray","1.54184","CuKα","","0.0543","0.0437","","","0.1052","0.1123","","","","","","1.032","","","","has coordinates,has disorder","247598","2020-10-21","18:00:00",""
"7125703","13.7113","0.0009","9.7397","0.0005","14.7226","0.0008","90","","102.505","0.006","90","","1919.5","0.2","293.1","0.2","293.1","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1199","0.0629","","","0.1194","0.1471","","","","","","1.026","","","","has coordinates","247601","2020-10-21","18:00:00",""
"7125704","10.163","0.0003","10.7505","0.0003","10.3964","0.0003","90","","91.94","0.003","90","","1135.23","0.06","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F6 N2 O4 -","- C24 H20 F6 N2 O4 -","- C48 H40 F12 N4 O8 -","2","0.5","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","1.54184","CuKα","","0.0596","0.0481","","","0.129","0.1455","","","","","","1.043","","","","has coordinates,has disorder","247601","2020-10-21","18:00:00",""
"7125705","16.6617","0.0014","9.8335","0.0005","12.61","0.0009","90","","105.347","0.007","90","","1992.4","0.3","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F2 N2 O4 -","- C22 H20 F2 N2 O4 -","- C88 H80 F8 N8 O16 -","4","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1145","0.0609","","","0.1262","0.1623","","","","","","1.048","","","","has coordinates,has disorder","247601","2020-10-21","18:00:00",""
"7125706","11.5668","0.0005","17.1785","0.0009","23.0513","0.001","90","","90","","90","","4580.3","0.4","293.1","0.2","293.1","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C192 H208 N16 O48 -","8","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1159","0.0608","","","0.1341","0.1672","","","","","","1.047","","","","has coordinates","247601","2020-10-21","18:00:00",""
"7125707","14.5996","0.001","8.1161","0.0005","16.4481","0.0014","90","","99.915","0.007","90","","1919.9","0.2","293.1","0.2","293.1","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1374","0.0564","","","0.1107","0.1421","","","","","","0.992","","","","has coordinates,has disorder","247601","2020-10-21","18:00:00",""
"7125708","13.3531","0.0007","13.9911","0.0006","16.8717","0.0009","103.238","0.003","108.535","0.002","108.528","0.003","2635.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H82 N6 O2 U -","- C55 H82 N6 O2 U -","- C110 H164 N12 O4 U2 -","2","1","","Maria, Leonor; Bandeira, Nuno A. G.; Marçalo, Joaquim; Santos, Isabel C.; Gibson, John K.","CO<sub>2</sub> conversion to phenyl isocyanates by uranium(vi) bis(imido) complexes.","Chemical communications (Cambridge, England)","2020","56","3","431","434","10.1039/c9cc07411b","","","0.71073","MoKα","","0.0826","0.0577","","","0.1396","0.1496","","","","","","0.989","","","","has coordinates","246444","2020-10-21","18:00:00",""
"7125709","15.5464","0.0006","13.2994","0.0005","23.2853","0.0008","90","","103.112","0.001","90","","4688.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H75 N5 O3 U -","- C48 H75 N5 O3 U -","- C192 H300 N20 O12 U4 -","4","1","","Maria, Leonor; Bandeira, Nuno A. G.; Marçalo, Joaquim; Santos, Isabel C.; Gibson, John K.","CO<sub>2</sub> conversion to phenyl isocyanates by uranium(vi) bis(imido) complexes.","Chemical communications (Cambridge, England)","2020","56","3","431","434","10.1039/c9cc07411b","","","0.71073","MoKα","","0.0532","0.0338","","","0.0698","0.0739","","","","","","1.005","","","","has coordinates","246444","2020-10-21","18:00:00",""
"7125710","12.375","0.0004","13.5901","0.0005","16.7251","0.0007","103.174","0.003","110.846","0.003","94.834","0.003","2516.86","0.18","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- K6 Mo18 O88 P2 Ti2 -","- K6 Mo18 O88 P2 Ti2 -","- K6 Mo18 O88 P2 Ti2 -","1","0.5","","Xu, Ming; Wang, Ting; Li, Fengyan; Xu, Wenjuan; Zheng, Yue; Xu, Lin","Water-soluble titanium-polyoxomolybdate with external μ<sub>3</sub> bridging oxygen coordination on a lacunary Keggin structure.","Chemical communications (Cambridge, England)","2020","56","7","1097","1100","10.1039/c9cc07767g","","","0.71073","MoKα","","0.0688","0.0515","","","0.1452","0.1618","","","","","","1.04","","","","has coordinates","247609","2020-10-21","18:00:00",""
"7125711","22.357","0.003","10.054","0.0015","28.899","0.004","90","","91.602","0.008","90","","6493.3","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H93 N3 O6 -","- C77 H93 N3 O6 -","- C308 H372 N12 O24 -","4","1","","Blanke, Meik; Balszuweit, Jan; Saccone, Marco; Wölper, Christoph; Doblas Jiménez, David; Mezger, Markus; Voskuhl, Jens; Giese, Michael","Photo-switching and -cyclisation of hydrogen bonded liquid crystals based on resveratrol.","Chemical communications (Cambridge, England)","2020","56","7","1105","1108","10.1039/c9cc07721a","","","0.71073","MoKα","","0.0849","0.0516","","","0.1231","0.1428","","","","","","1.043","","","","has coordinates","247608","2020-10-21","18:00:00",""
"7125712","9.8815","0.0013","13.0611","0.0016","19.081","0.003","80.647","0.006","83.99","0.006","79.057","0.006","2378.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H66 N2 O5 -","- C56 H66 N2 O5 -","- C112 H132 N4 O10 -","2","1","","Blanke, Meik; Balszuweit, Jan; Saccone, Marco; Wölper, Christoph; Doblas Jiménez, David; Mezger, Markus; Voskuhl, Jens; Giese, Michael","Photo-switching and -cyclisation of hydrogen bonded liquid crystals based on resveratrol.","Chemical communications (Cambridge, England)","2020","56","7","1105","1108","10.1039/c9cc07721a","","","1.54178","CuKα","","0.0693","0.0596","","","0.1339","0.1394","","","","","","1.096","","","","has coordinates","247608","2020-10-21","18:00:00",""
"7125713","9.43565","0.00016","16.9768","0.0003","19.2055","0.0003","90","","90","","90","","3076.47","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 S -","- C37 H38 O3 S -","- C148 H152 O12 S4 -","4","1","","You, Yong; Li, Ting-Ting; Yuan, Shu-Pei; Xie, Ke-Xin; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric [4+2] cycloaddition of 1-((2-aryl)vinyl)naphthalen-2-ols with in situ generated ortho-quinone methides for the synthesis of polysubstituted chromanes.","Chemical communications (Cambridge, England)","2020","56","3","439","442","10.1039/c9cc08316b","","x-ray","1.54184","CuKα","","0.0567","0.049","","","0.1287","0.1375","","","","","","1.033","","","","has coordinates","246447","2020-10-21","18:00:00",""
"7125714","11.8441","0.0007","10.6009","0.0008","15.1947","0.0009","90","","103.393","0.006","90","","1855.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H42 Cl N O3 -","- C41 H42 Cl N O3 -","- C82 H84 Cl2 N2 O6 -","2","1","","You, Yong; Li, Ting-Ting; Yuan, Shu-Pei; Xie, Ke-Xin; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric [4+2] cycloaddition of 1-((2-aryl)vinyl)naphthalen-2-ols with in situ generated ortho-quinone methides for the synthesis of polysubstituted chromanes.","Chemical communications (Cambridge, England)","2020","56","3","439","442","10.1039/c9cc08316b","","x-ray","1.54184","CuKα","","0.0544","0.0439","","","0.1096","0.1199","","","","","","1.033","","","","has coordinates","246447","2020-10-21","18:00:00",""
"7125715","18.3781","0.0007","9.6218","0.0004","11.0075","0.0004","90","","101.862","0.002","90","","1904.9","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Amol","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C88 H112 N8 O8 -","4","1","","Viveki, Amol B.; Garad, Dnyaneshwar N.; Gonnade, Rajesh G.; Mhaske, Santosh B.","para-Selective copper-catalyzed C(sp<sup>2</sup>)-H amidation/dimerization of anilides via a radical pathway.","Chemical communications (Cambridge, England)","2020","56","10","1565","1568","10.1039/c9cc09824k","","","0.71073","MoKα","","0.0715","0.0473","","","0.0965","0.1065","","","","","","1.018","","","","has coordinates","248806","2020-10-21","18:00:00",""
"7125716","12.6898","0.0009","8.3673","0.0006","19.2488","0.0012","90","","106.184","0.002","90","","1962.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Viveki, Amol B.; Garad, Dnyaneshwar N.; Gonnade, Rajesh G.; Mhaske, Santosh B.","para-Selective copper-catalyzed C(sp<sup>2</sup>)-H amidation/dimerization of anilides via a radical pathway.","Chemical communications (Cambridge, England)","2020","56","10","1565","1568","10.1039/c9cc09824k","","","0.71073","MoKα","","0.1024","0.0801","","","0.147","0.1551","","","","","","1.169","","","","has coordinates","248806","2020-10-21","18:00:00",""
"7125717","32.32","0.004","16.5482","0.0018","16.796","0.002","90","","118.803","0.002","90","","7871.8","1.6","270","2","270","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 B F2 N3 O S -","- C43 H40 B F2 N3 O S -","- C344 H320 B8 F16 N24 O8 S8 -","8","1","","Hou, Yuqi; Liu, Qingyun; Zhao, Jianzhang","An exceptionally long-lived triplet state of red light-absorbing compact phenothiazine-styrylBodipy electron donor/acceptor dyads: a better alternative to the heavy atom-effect?","Chemical communications (Cambridge, England)","2020","56","11","1721","1724","10.1039/c9cc09058d","","","0.71073","MoKα","","0.2304","0.1397","","","0.3812","0.4301","","","","","","1.363","","","","has coordinates","248851","2020-10-21","18:00:00",""
"7125718","8.3719","0.0008","11.6265","0.0012","21.171","0.002","91.635","0.008","97.842","0.007","102.352","0.007","1990.6","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H42 B F2 N3 O2 S -","- C45 H42 B F2 N3 O2 S -","- C90 H84 B2 F4 N6 O4 S2 -","2","1","","Hou, Yuqi; Liu, Qingyun; Zhao, Jianzhang","An exceptionally long-lived triplet state of red light-absorbing compact phenothiazine-styrylBodipy electron donor/acceptor dyads: a better alternative to the heavy atom-effect?","Chemical communications (Cambridge, England)","2020","56","11","1721","1724","10.1039/c9cc09058d","","","0.71073","MoKα","","0.1914","0.074","","","0.1771","0.2426","","","","","","0.957","","","","has coordinates","248851","2020-10-21","18:00:00",""
"7125719","14.9129","0.0005","14.9759","0.0006","15.1499","0.0005","90","","90","","90","","3383.5","0.2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Ag4 I6 N4 -","- C18 H38 Ag4 I6 N4 -","- C72 H152 Ag16 I24 N16 -","4","0.5","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.064","0.0482","","","0.1109","0.1182","","","","","","1.066","","","","has coordinates","246450","2020-10-21","18:00:00",""
"7125720","15.0205","0.0008","15.0458","0.001","15.0407","0.001","90","","90.269","0.002","90","","3399.1","0.4","323","2","323.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Ag4 I6 N4 -","- C18 H38 Ag4 I6 N4 -","- C72 H152 Ag16 I24 N16 -","4","1","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.1774","0.1746","","","0.2956","0.2958","","","","","","1.01","","","","has coordinates","246450","2020-10-21","18:00:00",""
"7125721","15.141","0.0009","15.141","0.0009","15.141","0.0009","90","","90","","90","","3471.1","0.4","408","","408","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C18 H38 Ag4 I6 N4 -","- C17.9998 H37.9986 Ag3.9996 I5.9994 N4 -","- C71.9992 H151.994 Ag15.9984 I23.9976 N16 -","4","0.166667","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.117","0.0584","","","0.128","0.1477","","","","","","1.075","","","","has coordinates,has disorder","246450","2020-10-21","18:00:00",""
"7125722","16.0864","0.001","12.7175","0.0008","7.1186","0.0005","90","","99.45","0.002","90","","1436.55","0.16","227","","227","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cl2 N4 O2 -","- C4 H2 Cl2 N4 O2 -","- C32 H16 Cl16 N32 O16 -","8","2","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.0561","0.0418","","","0.0925","0.1002","","","","","","1.062","","","","has coordinates","248801","2020-10-21","18:00:00",""
"7125723","12.2036","0.0015","4.6757","0.0005","25.698","0.003","90","","93.484","0.007","90","","1463.6","0.3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N16 O5 -","- C8 H10 N16 O5 -","- C32 H40 N64 O20 -","4","0.5","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.1085","0.0511","","","0.1038","0.1287","","","","","","1.023","","","","has coordinates","248801","2020-10-21","18:00:00",""
"7125724","23.411","0.003","5.0229","0.0005","15.2453","0.0019","90","","101.545","0.004","90","","1756.4","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 N8 O5 -","- C4 H4 N8 O5 -","- C32 H32 N64 O40 -","8","1","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.104","0.0567","","","0.1167","0.1446","","","","","","1.066","","","","has coordinates","248801","2020-10-21","18:00:00",""
"7125725","11.6487","0.0005","9.887","0.0005","14.4221","0.0007","90","","106.486","0.002","90","","1592.72","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N8 O4 -","- C4 H2 N8 O4 -","- C32 H16 N64 O32 -","8","2","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.1329","0.0597","","","0.1083","0.1415","","","","","","1.052","","","","has coordinates","248801","2020-10-21","18:00:00",""
"7125726","9.2263","0.0004","15.7424","0.0007","11.8768","0.0006","90","","108.325","0.002","90","","1637.56","0.13","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Br F3 N2 O2 -","- C14 H14 Br F3 N2 O2 -","- C56 H56 Br4 F12 N8 O8 -","4","1","","Du, Mengyuan; Yu, Longhui; Du, Ting; Li, Zhaokun; Luo, Yueyang; Meng, Xiangyu; Tian, Zhengtao; Zheng, Changwu; Cao, Weiguo; Zhao, Gang","N-Protecting group tuning of the enantioselectivity in Strecker reactions of trifluoromethyl ketimines to synthesize quaternary α-trifluoromethyl amino nitriles by ion pair catalysis.","Chemical communications (Cambridge, England)","2020","56","10","1581","1584","10.1039/c9cc09151c","","","0.71073","MoKα","","0.0389","0.0291","","","0.0706","0.0753","","","","","","1.04","","","","has coordinates","248796","2020-10-21","18:00:00",""
"7125727","20.677","0.004","21.726","0.004","36.877","0.007","90","","90","","90","","16566","5","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","Spiro(TFSI)2","2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene bis(trifluoromethanesulfonyl)imide","","- C85 H68 F12 N6 O16 S4 -","- C85 H68 F12 N6 O16 S4 -","- C680 H544 F96 N48 O128 S32 -","8","0.25","","Zhang, Wei; Wang, Linqin; Guo, Yu; Zhang, Biaobiao; Leandri, Valentina; Xu, Bo; Li, Zhuofeng; Gardner, James M.; Sun, Licheng; Kloo, Lars","Single crystal structure and opto-electronic properties of oxidized Spiro-OMeTAD.","Chemical communications (Cambridge, England)","2020","56","10","1589","1592","10.1039/c9cc09270f","","","0.71073","MoKα","","0.0736","0.0697","","","0.2277","0.2323","","","","","","1.915","","","","has coordinates","248803","2020-10-21","18:00:00",""
"7125728","8.0898","0.0009","8.7429","0.0011","9.3861","0.0011","113.63","0.004","100.423","0.004","106.839","0.004","547.71","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Cd Cl N O6 S2 -","- C4 H12 Cd Cl N O6 S2 -","- C8 H24 Cd2 Cl2 N2 O12 S4 -","2","1","","Zhang, Guiyang; Yin, Jinlin; Song, Xueling; Fei, Honghan","A moisture-stable organosulfonate-based metal-organic framework with intrinsic self-trapped white-light emission.","Chemical communications (Cambridge, England)","2020","56","9","1325","1328","10.1039/c9cc09486e","","","0.71073","MoKα","","0.0199","0.018","","","0.0468","0.048","","","","","","1.19","","","","has coordinates","247612","2020-10-21","18:00:00",""
"7125729","16.2065","0.0014","8.0264","0.0005","17.9481","0.0017","90","","116.108","0.011","90","","2096.5","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Shi, Yuesen; Xing, Huimin; Huang, Tianle; Liu, Xuexin; Chen, Jian; Guo, Xiaoyu; Li, Guo-Bo; Wu, Yong","Divergent C-H activation synthesis of chalcones, quinolones and indoles.","Chemical communications (Cambridge, England)","2020","56","10","1585","1588","10.1039/c9cc08926h","","x-ray","0.71073","MoKα","","0.106","0.0569","","","0.1205","0.1409","","","","","","1.015","","","","has coordinates","248805","2020-10-21","18:00:00",""
"7125730","8.543","0.004","14.111","0.006","14.684","0.007","90","","92.284","0.007","90","","1768.8","1.4","123","2","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl F N2 O Rh -","- C17 H21 Cl F N2 O Rh -","- C68 H84 Cl4 F4 N8 O4 Rh4 -","4","1","","Shi, Yuesen; Xing, Huimin; Huang, Tianle; Liu, Xuexin; Chen, Jian; Guo, Xiaoyu; Li, Guo-Bo; Wu, Yong","Divergent C-H activation synthesis of chalcones, quinolones and indoles.","Chemical communications (Cambridge, England)","2020","56","10","1585","1588","10.1039/c9cc08926h","","","0.71073","MoKα","","0.0619","0.0573","","","0.1736","0.1788","","","","","","1.029","","","","has coordinates","248805","2020-10-21","18:00:00",""
"7125731","15.6909","0.0002","8.2225","0.0001","30.5829","0.0003","90","","90","","90","","3945.76","0.08","99.98","0.13","99.98","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H20 I N O5 -","- C21 H20 I N O5 -","- C168 H160 I8 N8 O40 -","8","2","","Yu, Sifan; Chen, Jinzhou; Liu, Gengxin; Lei, Jinping; Hu, Wenhao; Qiu, Huang","A gold(i)-catalysed chemoselective three-component reaction between phenols, α-diazocarbonyl compounds and allenamides.","Chemical communications (Cambridge, England)","2020","56","11","1649","1652","10.1039/c9cc09470a","","x-ray","1.54184","CuKα","","0.0455","0.0419","","","0.1049","0.1139","","","","","","1.089","","","","has coordinates","248855","2020-10-21","18:00:00",""
"7125732","10.7413","0.0012","11.0944","0.0012","13.5068","0.0014","86.34","0.001","69.593","0.001","76.912","0.001","1469.2","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","3,6-Bis(2,2-bis((trifluoromethyl)sulfonyl)ethyl)-9-ethyl-9H-carbazole","","- C22 H17 F12 N O8 S4 -","- C22 H17 F12 N O8 S4 -","- C44 H34 F24 N2 O16 S8 -","2","1","","Martín-Mejías, Irene; Aragoncillo, Cristina; Yanai, Hikaru; Hoshikawa, Shoki; Fujimoto, Yuuki; Matsumoto, Takashi; Almendros, Pedro","A catalyst-free bis(triflyl)ethylation/benzannulation reaction: rapid access to carbazole-based superacidic carbon acids from alkynols.","Chemical communications (Cambridge, England)","2020","56","12","1795","1798","10.1039/c9cc08930f","","","0.71073","MoKα","","0.0577","0.0488","","","0.1246","0.132","","","","","","0.991","","","","has coordinates,has disorder","248857","2020-10-21","18:00:00",""
"7125769","7.5867","0.0003","14.1693","0.0004","16.4025","0.0005","90","","90","","90","","1763.24","0.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl F3 N O4 S -","- C17 H11 Cl F3 N O4 S -","- C68 H44 Cl4 F12 N4 O16 S4 -","4","1","","Zhang, Zhen-Zhen; Zhang, Yongna; Duan, Hui-Xin; Deng, Zhuo-Fei; Wang, You-Qing","Enantioselective (3+2) cycloaddition via N-heterocyclic carbene-catalyzed addition of homoenolates to cyclic N-sulfonyl trifluoromethylated ketimines: synthesis of fused N-heterocycle γ-lactams.","Chemical communications (Cambridge, England)","2020","56","10","1553","1556","10.1039/c9cc09269b","","x-ray","1.54184","CuKα","","0.0424","0.0375","","","0.0915","0.0963","","","","","","1.059","","","","has coordinates","248804","2020-10-21","18:00:00",""
"7125770","10.501","0.002","12.436","0.003","19.235","0.004","90","","90","","90","","2511.9","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 F3 Fe N O -","- C31 H22 F3 Fe N O -","- C124 H88 F12 Fe4 N4 O4 -","4","1","","Jia, Lixiang; Liu, Xiaobing; Zhang, An-An; Wang, Tao; Hua, Yuanzhao; Li, Heng; Liu, Lantao","Synthesis of planar chiral ferrocenes via a Pd(0)-catalyzed syn-carbopalladation/asymmetric C-H alkenylation process.","Chemical communications (Cambridge, England)","2020","56","11","1737","1740","10.1039/c9cc06529f","","","0.71073","MoKα","","0.0931","0.0478","","","0.1157","0.1346","","","","","","1.023","","","","has coordinates","248853","2020-10-21","18:00:00",""
"7125771","12.324","0.003","10.527","0.002","15.383","0.003","90","","103.1","0.03","90","","1943.8","0.7","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cl N O2 S -","- C23 H18 Cl N O2 S -","- C92 H72 Cl4 N4 O8 S4 -","4","1","","Li, Qiuyun; Yuan, Xin; Li, Bin; Wang, Baiquan","The regioselective annulation of alkylidenecyclopropanes by Rh(iii)-catalyzed C-H/C-C activation to access spirocyclic benzosultams.","Chemical communications (Cambridge, England)","2020","56","12","1835","1838","10.1039/c9cc09621c","","","0.71073","MoKα","","0.0867","0.056","","","0.1295","0.15","","","","","","0.907","","","","has coordinates","248861","2020-10-21","18:00:00",""
"7125772","8.1485","0.0002","9.0966","0.0005","16.9811","0.0006","103.951","0.004","91.35","0.003","100.482","0.003","1198.19","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N O3 S2 -","- C27 H29 N O3 S2 -","- C54 H58 N2 O6 S4 -","2","1","","Li, Qiuyun; Yuan, Xin; Li, Bin; Wang, Baiquan","The regioselective annulation of alkylidenecyclopropanes by Rh(iii)-catalyzed C-H/C-C activation to access spirocyclic benzosultams.","Chemical communications (Cambridge, England)","2020","56","12","1835","1838","10.1039/c9cc09621c","","","0.71073","MoKα","","0.0413","0.0381","","","0.0985","0.1007","","","","","","0.994","","","","has coordinates","248861","2020-10-21","18:00:00",""
"7125773","14.7843","0.001","6.4537","0.0005","13.8723","0.0011","90","","108.104","0.008","90","","1258.08","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 Se -","- C15 H10 O2 Se -","- C60 H40 O8 Se4 -","4","1","","Song, Zengqiang; Ding, Chaochao; Wang, Shaoli; Dai, Qian; Sheng, Yaoguang; Zheng, Zhilong; Liang, Guang","Metal-free regioselective C-H chalcogenylation of coumarins/(hetero)arenes at ambient temperature.","Chemical communications (Cambridge, England)","2020","56","12","1847","1850","10.1039/c9cc09001k","","","0.71073","MoKα","","0.122","0.0596","","","0.1141","0.1453","","","","","","1.052","","","","has coordinates","248859","2020-10-21","18:00:00",""
"7125774","9.1003","0.0005","9.9785","0.0006","12.9831","0.0006","74.611","0.005","76.063","0.004","64.264","0.005","1013.17","0.11","294.39","0.1","294.39","0.1","","","","","","","","5","P -1","-P 1","2","","1-benzyl-3-((4-bromophenyl)amino)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-2,5-dione","","- C24 H19 Br N2 O3 -","- C24 H19 Br N2 O3 -","- C48 H38 Br2 N4 O6 -","2","1","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","x-ray","1.54184","CuKα","","0.05","0.0467","","","0.1221","0.1259","","","","","","1.083","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125775","10.532","0.006","9.624","0.005","43.85","0.002","90","","90","","90","","4445","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Br N2 O3 -","- C25 H23 Br N2 O3 -","- C200 H184 Br8 N16 O24 -","8","1","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","","0.71073","MoKα","","0.1915","0.0759","","","0.1461","0.1631","","","","","","1.082","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125776","11.4032","0.0017","16.0552","0.0014","21.7377","0.0013","90","","90","","90","","3979.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br N2 O3 -","- C24 H19 Br N2 O3 -","- C192 H152 Br8 N16 O24 -","8","2","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","","0.71073","MoKα","","0.1118","0.0475","","","0.0818","0.0925","","","","","","1.015","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125777","9.2393","0.0005","13.1195","0.0007","16.0254","0.0007","74.256","0.004","75.947","0.004","74.656","0.004","1772.13","0.16","123","","123","","","","","","","","","5","P -1","-P 1","2","","NRN-142","","- C30 H56 N6 P2 Se2 -","- C30 H56 N6 P2 Se2 -","- C60 H112 N12 P4 Se4 -","2","1","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","x-ray","0.71073","MoKα","","0.0742","0.0493","","","0.109","0.1142","","","","","","1.098","","","","has coordinates","248811","2020-10-21","18:00:00",""
"7125778","10.0162","0.0003","10.5594","0.0004","12.65","0.0004","75.8224","0.0011","80.3081","0.0011","64.359","0.001","1166.45","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","NRN-148","","- C36 H78 Cl2 N6 O6 P2 -","- C36 H78 Cl2 N6 O6 P2 -","- C36 H78 Cl2 N6 O6 P2 -","1","0.5","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","x-ray","1.54178","CuKα","","0.0474","0.0465","","","0.1282","0.1291","","","","","","1.052","","","","has coordinates","248811","2020-10-21","18:00:00",""
"7125779","10.102","0.013","10.857","0.014","11.856","0.013","103.05","0.06","97.19","0.07","116.1","0.06","1099","3","100","","100","","","","","","","","","7","P -1","-P 1","2","","NRN-198","","- C30 H57 Au2 Cl4 N6 O2 P2 -","- C30 H57 Au2 Cl4 N6 O2 P2 -","- C30 H57 Au2 Cl4 N6 O2 P2 -","1","0.5","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","","0.71073","MoKα","","0.1239","0.0773","","","0.1799","0.2138","","","","","","1.029","","","","has coordinates,has disorder","248811","2020-10-21","18:00:00",""
"7125780","8.688","0.0005","20.2501","0.0011","9.9593","0.0005","90","","104.166","0.002","90","","1698.89","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NRN-202","","- C30 H56 N6 O2 P2 -","- C30 H56 N6 O2 P2 -","- C60 H112 N12 O4 P4 -","2","0.5","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","","0.71073","MoKα","","0.0417","0.0387","","","0.0943","0.0966","","","","","","1.111","","","","has coordinates","248811","2020-10-21","18:00:00",""
"7125781","8.0943","0.0004","21.8669","0.001","17.322","0.0007","90","","95.221","0.004","90","","3053.2","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B Cl2 N7 O4 Re W -","- C25 H29 B Cl2 N7 O4 Re W -","- C100 H116 B4 Cl8 N28 O16 Re4 W4 -","4","1","","Hill, Anthony F.; Watson, Lachlan J.","A heterobimetallic cumulenic μ-carbido complex.","Chemical communications (Cambridge, England)","2020","56","15","2356","2359","10.1039/c9cc08172k","","x-ray","0.71073","MoKα","","0.0531","0.036","","","0.0606","0.0651","","","","","","1.047","","","","has coordinates","248841","2020-10-21","18:00:00",""
"7125782","7.4306","0.0005","7.9327","0.0006","13.4641","0.0011","103.629","0.006","95.575","0.006","104.678","0.006","735.66","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 O4 Re2 Se -","- C14 H10 O4 Re2 Se -","- C28 H20 O8 Re4 Se2 -","2","1","","Hill, Anthony F.; Watson, Lachlan J.","A heterobimetallic cumulenic μ-carbido complex.","Chemical communications (Cambridge, England)","2020","56","15","2356","2359","10.1039/c9cc08172k","","x-ray","0.71073","MoKα","","0.0447","0.031","","","0.0466","0.0504","","","","","","1.017","","","","has coordinates","248841","2020-10-21","18:00:00",""
"7125783","9.2972","0.0019","10.943","0.002","14.517","0.003","97.63","0.03","104.8","0.03","98.88","0.03","1387.7","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O4 Zn -","- C34 H26 N2 O4 Zn -","- C68 H52 N4 O8 Zn2 -","2","1","","Li, Ni-Ya; Chen, Jing-Min; Tang, Xiao-Yan; Zhang, Guo-Ping; Liu, Dong","Reversible single-crystal-to-single-crystal conversion of a photoreactive coordination network for rewritable optical memory storage.","Chemical communications (Cambridge, England)","2020","56","13","1984","1987","10.1039/c9cc09081a","","","0.71073","MoKα","","0.0456","0.0368","","","0.0928","0.0991","","","","","","1.031","","","","has coordinates","248828","2020-10-21","18:00:00",""
"7125784","9.3272","0.0019","11.065","0.002","14.204","0.003","94.76","0.03","106.97","0.03","98.35","0.03","1375","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O4 Zn -","- C34 H26 N2 O4 Zn -","- C68 H52 N4 O8 Zn2 -","2","1","","Li, Ni-Ya; Chen, Jing-Min; Tang, Xiao-Yan; Zhang, Guo-Ping; Liu, Dong","Reversible single-crystal-to-single-crystal conversion of a photoreactive coordination network for rewritable optical memory storage.","Chemical communications (Cambridge, England)","2020","56","13","1984","1987","10.1039/c9cc09081a","","","0.71073","MoKα","","0.0755","0.0486","","","0.1086","0.1215","","","","","","1.037","","","","has coordinates","248828","2020-10-21","18:00:00",""
"7125785","9.1552","0.0018","10.954","0.002","14.582","0.003","97.65","0.03","104.66","0.03","98.55","0.03","1376.6","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O4 Zn -","- C34 H26 N2 O4 Zn -","- C68 H52 N4 O8 Zn2 -","2","1","","Li, Ni-Ya; Chen, Jing-Min; Tang, Xiao-Yan; Zhang, Guo-Ping; Liu, Dong","Reversible single-crystal-to-single-crystal conversion of a photoreactive coordination network for rewritable optical memory storage.","Chemical communications (Cambridge, England)","2020","56","13","1984","1987","10.1039/c9cc09081a","","","0.71073","MoKα","","0.0674","0.0493","","","0.1309","0.146","","","","","","1.06","","","","has coordinates","248828","2020-10-21","18:00:00",""
"7125786","10.316","0.002","14.614","0.003","31.37","0.006","90","","90","","90","","4729.3","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 O10 Si2 -","- C48 H60 O10 Si2 -","- C192 H240 O40 Si8 -","4","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0505","0.0401","","","0.0966","0.1028","","","","","","1.034","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125787","10.622","0.0017","29.251","0.004","15.2076","0.0012","90","","91.972","0.011","90","","4722.3","1.1","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H59 O10 Si2 -","- C48 H59 O10 Si2 -","- C192 H236 O40 Si8 -","4","2","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0453","0.0374","","","0.0912","0.0985","","","","","","0.966","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125788","8.5482","0.0016","9.8574","0.0019","10.674","0.002","82.65","0.006","67.265","0.005","68.386","0.006","771.1","0.3","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H44 O12 Si -","- C27 H44 O12 Si -","- C27 H44 O12 Si -","1","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","0.71073","MoKα","","0.1137","0.0877","","","0.2228","0.2534","","","","","","1.035","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125789","11.2418","0.0003","6.7238","0.0002","12.8125","0.0004","90","","102.473","0.001","90","","945.61","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O10 -","- C18 H24 O10 -","- C36 H48 O20 -","2","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0275","0.0272","","","0.071","0.0712","","","","","","1.039","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125790","9.696","0.0007","21.8766","0.0015","10.7943","0.0007","90","","114.535","0.002","90","","2082.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 O8 Si -","- C17 H28 O8 Si -","- C68 H112 O32 Si4 -","4","2","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","0.71073","MoKα","","0.0615","0.0452","","","0.1049","0.1165","","","","","","1.012","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125791","9.9589","0.0002","10.3374","0.0002","17.3428","0.0003","90","","90","","90","","1785.43","0.06","241","2","241","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Ruan, Sai; Zhong, Xia; Chen, Quangang; Feng, Xiaoming; Liu, Xiaohua","An asymmetric hydrocyanation/Michael reaction of α-diazoacetates via Cu(i)/chiral guanidine catalysis.","Chemical communications (Cambridge, England)","2020","56","14","2155","2158","10.1039/c9cc09521g","","","1.54178","CuKα","","0.038","0.0366","","","0.094","0.0956","","","","","","0.99","","","","has coordinates","248834","2020-10-21","18:00:00",""
"7125792","21.3357","0.0006","15.3136","0.0004","16.1347","0.0005","90","","93.71","0.001","90","","5260.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 As2 Ge2 N4 -","- C54 H74 As2 Ge2 N4 -","- C216 H296 As8 Ge8 N16 -","4","1","","Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping","Isolable cyclic radical cations of heavy main-group elements.","Chemical communications (Cambridge, England)","2020","56","14","2167","2170","10.1039/c9cc09582a","","","1.34139","GaKα","","0.0512","0.0425","","","0.1103","0.1176","","","","","","1.053","","","","has coordinates","248830","2020-10-21","18:00:00",""
"7125793","29.5048","0.0015","16.5238","0.0007","19.4551","0.0009","90","","118.25","0.002","90","","8355.2","0.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H74 Al F36 Ge2 N4 O4 P2 -","- C70 H74 Al F36 Ge2 N4 O4 P2 -","- C280 H296 Al4 F144 Ge8 N16 O16 P8 -","4","0.5","","Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping","Isolable cyclic radical cations of heavy main-group elements.","Chemical communications (Cambridge, England)","2020","56","14","2167","2170","10.1039/c9cc09582a","","","0.71073","MoKα","","0.1309","0.0956","","","0.1998","0.2098","","","","","","1.203","","","","has coordinates,has disorder","248830","2020-10-21","18:00:00",""
"7125794","19.7185","0.0018","19.794","0.002","22.651","0.002","90","","90","","90","","8840.9","1.4","123","2","123","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C76 H79 Al As2 F37 Ge2 N4 O4 -","- C76 H79 Al As2 F37 Ge2 N4 O4 -","- C304 H316 Al4 As8 F148 Ge8 N16 O16 -","4","0.5","","Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping","Isolable cyclic radical cations of heavy main-group elements.","Chemical communications (Cambridge, England)","2020","56","14","2167","2170","10.1039/c9cc09582a","","","0.71073","MoKα","","0.0571","0.051","","","0.1394","0.146","","","","","","1.008","","","","has coordinates,has disorder","248830","2020-10-21","18:00:00",""
"7125795","7.6521","0.0001","11.7979","0.0002","20.7618","0.0003","90","","90","","90","","1874.35","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 B Br F2 N3 O -","- C19 H21 B Br F2 N3 O -","- C76 H84 B4 Br4 F8 N12 O4 -","4","1","","Ren, Xiaojie; Zhang, Fan; Luo, Hongchen; Liao, Lide; Song, Xiangzhi; Chen, Wenqiang","Red-emitting boron difluoride complexes with a mega-large Stokes shift and unexpectedly high fluorescence quantum yield.","Chemical communications (Cambridge, England)","2020","56","14","2159","2162","10.1039/c9cc09523c","","","0.71073","MoKα","","0.0402","0.0295","","","0.0647","0.0674","","","","","","1.009","","","","has coordinates","248836","2020-10-21","18:00:00",""
"7125796","17.9568","0.0009","9.8598","0.0006","20.8696","0.0012","90","","90.927","0.003","90","","3694.5","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Mn O3 P2 -","- C34 H25 Mn O3 P2 -","- C136 H100 Mn4 O12 P8 -","4","1","","Kireev, Nikolay V.; Filippov, Oleg A.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Vendier, Laure; Canac, Yves; Sortais, Jean-Baptiste; Lugan, Noël; Valyaev, Dmitry A.","Bis[diphenylphosphino]methane and its bridge-substituted analogues as chemically non-innocent ligands for H<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","14","2139","2142","10.1039/c9cc07713h","","","0.71073","MoKα","","0.062","0.0466","","","0.1373","0.147","","","","","","0.97","","","","has coordinates","248831","2020-10-21","18:00:00",""
"7125797","12.7697","0.0005","16.2687","0.0006","13.7964","0.0006","90","","97.868","0.002","90","","2839.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Mn O3 P2 -","- C34 H27 Mn O3 P2 -","- C136 H108 Mn4 O12 P8 -","4","1","","Kireev, Nikolay V.; Filippov, Oleg A.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Vendier, Laure; Canac, Yves; Sortais, Jean-Baptiste; Lugan, Noël; Valyaev, Dmitry A.","Bis[diphenylphosphino]methane and its bridge-substituted analogues as chemically non-innocent ligands for H<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","14","2139","2142","10.1039/c9cc07713h","","x-ray","0.71073","MoKα","","0.0249","0.0229","","","0.0602","0.0619","","","","","","1.055","","","","has coordinates","248831","2020-10-21","18:00:00",""
"7125798","12.3904","0.0001","26.0236","0.0002","13.0998","0.0001","90","","94.131","0.001","90","","4212.96","0.06","200","0.1","200","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Ag3 Cl3 F9 N O6 P2 -","- C36 H24 Ag3 Cl3 F9 N O6 P2 -","- C144 H96 Ag12 Cl12 F36 N4 O24 P8 -","4","1","","Yang, Jin-Sen; Zhang, Miao-Miao; Han, Zhen; Li, Hai-Yang; Li, Lin-Ke; Dong, Xi-Yan; Zang, Shuang-Quan; Mak, Thomas C. W.","A new silver cluster that emits bright-blue phosphorescence.","Chemical communications (Cambridge, England)","2020","56","16","2451","2454","10.1039/c9cc09439c","","x-ray","1.54184","CuKα","","0.041","0.0365","","","0.0943","0.097","","","","","","1.029","","","","has coordinates,has disorder","248814","2020-10-21","18:00:00",""
"7125799","15.4258","0.0011","10.0015","0.0008","26.8115","0.0018","90","","93.829","0.002","90","","4127.3","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 Br2 P2 -","- C42 H64 Br2 P2 -","- C168 H256 Br8 P8 -","4","1","","Ohtsuki, Kazuaki; Walsgrove, Henry T. G.; Hayashi, Yoshihiro; Kawauchi, Susumu; Patrick, Brian O.; Gates, Derek P.; Ito, Shigekazu","Diels-Alder reactions of 1-phosphabutadienes: a highly selective route to P[double bond, length as m-dash]C-substituted phosphacyclohexenes.","Chemical communications (Cambridge, England)","2020","56","5","774","777","10.1039/c9cc08997g","","","0.71075","MoKα","","0.1525","0.0865","","","0.1904","0.2323","","","","","","1.187","","","","has coordinates","247588","2020-10-21","18:00:00",""
"7125800","9.4889","0.0005","22.8642","0.0011","23.9461","0.0011","90","","101.002","0.001","90","","5099.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H74 Cl6 P2 Pd -","- C46 H74 Cl6 P2 Pd -","- C184 H296 Cl24 P8 Pd4 -","4","1","","Ohtsuki, Kazuaki; Walsgrove, Henry T. G.; Hayashi, Yoshihiro; Kawauchi, Susumu; Patrick, Brian O.; Gates, Derek P.; Ito, Shigekazu","Diels-Alder reactions of 1-phosphabutadienes: a highly selective route to P[double bond, length as m-dash]C-substituted phosphacyclohexenes.","Chemical communications (Cambridge, England)","2020","56","5","774","777","10.1039/c9cc08997g","","x-ray","0.71073","MoKα","","0.0834","0.0469","","","0.0856","0.0972","","","","","","1.014","","","","has coordinates,has disorder","247588","2020-10-21","18:00:00",""
"7125801","20.2458","0.0006","10.192","0.0003","39.8543","0.0011","90","","95.509","0.001","90","","8185.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 P2 -","- C44 H70 P2 -","- C352 H560 P16 -","8","2","","Ohtsuki, Kazuaki; Walsgrove, Henry T. G.; Hayashi, Yoshihiro; Kawauchi, Susumu; Patrick, Brian O.; Gates, Derek P.; Ito, Shigekazu","Diels-Alder reactions of 1-phosphabutadienes: a highly selective route to P[double bond, length as m-dash]C-substituted phosphacyclohexenes.","Chemical communications (Cambridge, England)","2020","56","5","774","777","10.1039/c9cc08997g","","x-ray","0.71073","MoKα","","0.0766","0.0441","","","0.0902","0.1021","","","","","","0.998","","","","has coordinates","247588","2020-10-21","18:00:00",""
"7125802","13.634","0.003","23.059","0.005","6.8383","0.0014","90","","90","","90","","2149.9","0.8","296","2","296","2","","","","","","","","4","I b a m","-I 2 2c","72","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazine","","- C20 H20 N4 S4 -","- C20 H20 N4 S4 -","- C80 H80 N16 S16 -","4","0.25","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.0711","0.039","","","0.0929","0.1128","","","","","","1.057","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125803","12.8899","0.0003","21.9751","0.0006","10.8024","0.0003","90","","98.673","0.001","90","","3024.86","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl8 Ga2 N2 O S4 -","- C14 H20 Cl8 Ga2 N2 O S4 -","- C56 H80 Cl32 Ga8 N8 O4 S16 -","4","1","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.049","0.034","","","0.0858","0.0939","","","","","","1.037","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125804","7.7987","0.0004","11.1508","0.0006","11.7044","0.0007","68.737","0.002","82.028","0.002","70.79","0.002","895.51","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazinediium bis(trifluoromethanesulfonate), solvate with acetonitrile","","- C13 H13 F3 N3 O3 S3 -","- C13 H13 F3 N3 O3 S3 -","- C26 H26 F6 N6 O6 S6 -","2","1","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.0633","0.0398","","","0.1082","0.1276","","","","","","1.006","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125805","17.0008","0.0015","12.4285","0.0012","18.4315","0.0018","90","","90","","90","","3894.5","0.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazinediium bis(tetrachlorogallate), solvate with acetonitrile","","- C24 H26 Cl8 Ga2 N6 S4 -","- C24 H26 Cl8 Ga2 N6 S4 -","- C96 H104 Cl32 Ga8 N24 S16 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.098","0.0584","","","0.1489","0.1723","","","","","","1.032","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125806","15.6419","0.0011","6.7683","0.0005","25.762","0.003","90","","100.258","0.005","90","","2683.8","0.4","296","2","296","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","C20 H18 N4 S4, Cl4 Ga","","- C20 H18 Cl4 Ga N4 S4 -","- C20 H18.5 Cl4 Ga N4 S4 -","- C80 H74 Cl16 Ga4 N16 S16 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.1219","0.0961","","","0.2633","0.2951","","","","","","1.044","","","","has coordinates,has disorder","247589","2020-10-21","18:00:00",""
"7125807","26.008","0.005","7.0295","0.0014","14.98","0.003","90","","120.32","0.03","90","","2364.1","1.1","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","4,7-di-tert-butylbis[1,2,3]dithiazolo[4'5':3,4;5',4':8,9]dibenzo [c,e][1?4?2,2,7]thiadiazepine","","- C20 H20 N4 S5 -","- C20 H20 N4 S5 -","- C80 H80 N16 S20 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.0898","0.0479","","","0.1114","0.1272","","","","","","1.054","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125808","7.9057","0.0007","11.8661","0.0012","13.7217","0.0014","110.248","0.004","104.718","0.004","97.976","0.004","1131","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4-tert-butylbenzo[1,2-d:3,4-d']bis([1,2,3]dithiazolium) bis(trifluoromethanesulfonate)","","- C12 H10 F6 N2 O6 S6 -","- C12 H10 F6 N2 O6 S6 -","- C24 H20 F12 N4 O12 S12 -","2","1","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.086","0.0458","","","0.1093","0.138","","","","","","1.035","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125809","7.196","0.003","10.589","0.004","15.296","0.007","100.19","0.014","99.014","0.015","98.771","0.015","1113.3","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazinediium bis(tetrachlorogallate), solvate with toluene","","- C32 H20 Cl8 Ga2 N4 S4 -","- C32 H20 Cl8 Ga2 N4 S4 -","- C32 H20 Cl8 Ga2 N4 S4 -","1","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.1249","0.0657","","","0.1762","0.2072","","","","","","1.039","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125810","14.0023","0.0005","18.12","0.0008","19.4694","0.0009","97.894","0.004","110.964","0.004","98.644","0.003","4461.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 B10 N4 O2 Si2 -","- C34 H56 B10 N4 O2 Si2 -","- C136 H224 B40 N16 O8 Si8 -","4","2","","Xiong, Yun; Yao, Shenglai; Szilvási, Tibor; Ruzicka, Ales; Driess, Matthias","Homocoupling of CO and isocyanide mediated by a C,C'-bis(silylenyl)-substituted ortho-carborane.","Chemical communications (Cambridge, England)","2020","56","5","747","750","10.1039/c9cc08680c","","","1.54184","CuKα","","0.1033","0.0573","","","0.1333","0.1582","","","","","","0.997","","","","has coordinates","247586","2020-10-21","18:00:00",""
"7125811","16.3688","0.0002","16.3773","0.0002","20.0064","0.0002","90","","96.451","0.001","90","","5329.29","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 B10 N6 Si2 -","- C50 H74 B10 N6 Si2 -","- C200 H296 B40 N24 Si8 -","4","1","","Xiong, Yun; Yao, Shenglai; Szilvási, Tibor; Ruzicka, Ales; Driess, Matthias","Homocoupling of CO and isocyanide mediated by a C,C'-bis(silylenyl)-substituted ortho-carborane.","Chemical communications (Cambridge, England)","2020","56","5","747","750","10.1039/c9cc08680c","","","1.54184","CuKα","","0.0538","0.0426","","","0.108","0.1186","","","","","","1.015","","","","has coordinates","247586","2020-10-21","18:00:00",""
"7125812","10.5064","0.0002","13.7489","0.0002","36.4349","0.0008","90","","97.87","0.002","90","","5213.5","0.17","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H18 F15 N6 O4 Rh2 -","- C67 H18.68 F15 N6 O4 Rh2 -","- C268 H74.72 F60 N24 O16 Rh8 -","4","1","","Samala, Srinivas; Dutta, Ranjan; He, Qing; Park, Yeonju; Chandra, Brijesh; Lynch, Vincent M.; Jung, Young Mee; Sessler, Jonathan L.; Lee, Chang-Hee","A robust bis-rhodium(i) complex of π-extended planar, anti-aromatic hexaphyrin[1.0.1.0.1.0].","Chemical communications (Cambridge, England)","2020","56","5","758","761","10.1039/c9cc09221h","","x-ray","1.54184","CuKα","","0.1035","0.0929","","","0.2224","0.2295","","","","","","1.153","","","","has coordinates,has disorder","247585","2020-10-21","18:00:00",""
"7125813","5.093","0.004","18.689","0.015","24.05","0.02","90","","93.684","0.01","90","","2284","3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl N5 O2 S -","- C23 H20 Cl N5 O2 S -","- C92 H80 Cl4 N20 O8 S4 -","4","1","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.2352","0.0988","","","0.2219","0.2838","","","","","","0.907","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125814","10.9364","0.0011","10.8589","0.0011","38.833","0.004","90","","91.052","0.002","90","","4610.9","0.8","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl N5 O2 S -","- C23 H20 Cl N5 O2 S -","- C184 H160 Cl8 N40 O16 S8 -","8","2","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.1599","0.0892","","","0.2135","0.2444","","","","","","1.005","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125815","14.7727","0.0015","7.6261","0.0008","19.442","0.002","90","","95.253","0.002","90","","2181.1","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl N4 S -","- C23 H21 Cl N4 S -","- C92 H84 Cl4 N16 S4 -","4","1","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.0894","0.0662","","","0.1768","0.192","","","","","","1.072","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125816","7.9024","0.0015","9.4958","0.0017","15.018","0.003","78.986","0.004","87.8","0.005","85.372","0.005","1102.3","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl N4 S -","- C24 H23 Cl N4 S -","- C48 H46 Cl2 N8 S2 -","2","1","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.0998","0.0525","","","0.1076","0.1248","","","","","","1.014","","","","has coordinates,has disorder","247590","2020-10-21","18:00:00",""
"7125817","12.225","0.004","12.945","0.004","15.227","0.005","114.539","0.005","95.09","0.006","93.604","0.005","2170.2","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl N4 S -","- C23 H21 Cl N4 S -","- C92 H84 Cl4 N16 S4 -","4","2","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.1627","0.0805","","","0.1853","0.2216","","","","","","0.959","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125818","16.6866","0.0006","6.5849","0.0003","34.8753","0.0018","90","","94.826","0.004","90","","3818.5","0.3","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HOF","","- C31 H29 N13 O -","- C31 H28 N13 O -","- C124 H112 N52 O4 -","4","1","","Wang, Yijie; Liu, Di; Yin, Jianbo; Shang, Yanxue; Du, Juan; Kang, Zixi; Wang, Rongming; Chen, Yanli; Sun, Daofeng; Jiang, Jianzhuang","An ultrafast responsive NO<sub>2</sub> gas sensor based on a hydrogen-bonded organic framework material.","Chemical communications (Cambridge, England)","2020","56","5","703","706","10.1039/c9cc09171h","","","1.54178","CuKα","","0.1338","0.0825","","","0.2108","0.2433","","","","","","0.937","","","","has coordinates","247587","2020-10-21","18:00:00",""
"7125819","16.2396","0.0006","6.5461","0.0002","33.4443","0.0011","90","","90.79","0.003","90","","3555","0.2","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HOF","","- C34 H37 N14 O3 -","- C34 H37 N14 O3 -","- C136 H148 N56 O12 -","4","1","","Wang, Yijie; Liu, Di; Yin, Jianbo; Shang, Yanxue; Du, Juan; Kang, Zixi; Wang, Rongming; Chen, Yanli; Sun, Daofeng; Jiang, Jianzhuang","An ultrafast responsive NO<sub>2</sub> gas sensor based on a hydrogen-bonded organic framework material.","Chemical communications (Cambridge, England)","2020","56","5","703","706","10.1039/c9cc09171h","","","1.54178","CuKα","","0.1054","0.0723","","","0.1787","0.2069","","","","","","1.023","","","","has coordinates","247587","2020-10-21","18:00:00",""
"7125820","21.631","0.002","23.063","0.002","31.541","0.003","80.614","0.002","81.403","0.002","70.344","0.002","14544","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Cs12 K3 Mn O292 Si6 Ta18 W54 -","- Cs12 K3 Mn O292 Si6 Ta18 W54 -","- Cs24 K6 Mn2 O584 Si12 Ta36 W108 -","2","1","","Wu, Hai-Yang; Hu, Hai; Qin, Chao; Huang, Peng; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and lithium storage performance of a nanoscale polyoxometalate based on the {MnTa<sub>18</sub>} cluster.","Chemical communications (Cambridge, England)","2020","56","16","2403","2406","10.1039/c9cc09263c","","","0.71073","MoKα","","0.218","0.0968","","","0.2285","0.3022","","","","","","0.981","","","","has coordinates","248820","2020-10-21","18:00:00",""
"7125821","20.8992","0.0003","15.4821","0.0002","30.637","0.0004","90","","90","","90","","9913","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C108 H59 B2 Cl5 F40 Zr3 -","- C108 H58 B2 Cl5 F40 Zr3 -","- C432 H232 B8 Cl20 F160 Zr12 -","4","1","","Budzelaar, Peter H. M.; Hughes, David L.; Bochmann, Manfred; Macchioni, Alceo; Rocchigiani, Luca","H<sub>2</sub> activation by zirconaziridinium ions: σ-bond metathesis versus frustrated Lewis pair reactivity.","Chemical communications (Cambridge, England)","2020","56","17","2542","2545","10.1039/c9cc09466k","","x-ray","0.71073","MoKα","","0.0592","0.0489","","","0.1087","0.1128","","","","","","1.024","","","","has coordinates,has disorder","248813","2020-10-21","18:00:00",""
"7125822","19.4385","0.0009","9.3554","0.0003","17.415","0.0008","90","","123.697","0.003","90","","2634.9","0.2","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N2 -","- C16 H13 Cl N2 -","- C128 H104 Cl8 N16 -","8","1","","Liu, Jidan; Xu, Erjie; Jiang, Jinyuan; Huang, Zeng; Zheng, Liyao; Liu, Zhao-Qing","Copper-mediated tandem ring-opening/cyclization reactions of cyclopropanols with aryldiazonium salts: synthesis of N-arylpyrazoles.","Chemical communications (Cambridge, England)","2020","56","14","2202","2205","10.1039/c9cc09657d","","","0.71073","MoKα","","0.0469","0.0367","","","0.0925","0.1005","","","","","","0.993","","","","has coordinates","248833","2020-10-21","18:00:00",""
"7125823","13.0762","0.0014","6.6583","0.0007","21.175","0.002","90","","106.715","0.002","90","","1765.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C92 H68 N4 O12 -","4","1","","Xie, Ya-Sa; Huang, Run-Feng; Li, Ran; Zhang, Chuan-Bao; Fu, Ji-Ya; Zhao, Li-Li; Yuan, Jin-Fang","Metal-free [3+3] benzannulation of 1-indanylidene-malononitrile with Morita-Baylis-Hillman carbonates: direct access to functionalized fluorene and fluorenone derivatives.","Chemical communications (Cambridge, England)","2020","56","13","1948","1951","10.1039/d0cc00143k","","","0.71073","MoKα","","0.0693","0.0479","","","0.1326","0.1474","","","","","","1.033","","","","has coordinates","248826","2020-10-21","18:00:00",""
"7125824","7.9242","0.0003","9.1825","0.0004","18.631","0.0008","90","","93","0.001","90","","1353.81","0.1","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C37 H26 N2 O -","- C37 H26 N2 O -","- C74 H52 N4 O2 -","2","1","","Li, Xiaobin; Zhang, Chengxi; Wang, Chenchen; Ye, Wenqiang; Zhang, Qian; Zhang, Zhiyun; Su, Jianhua; Chen, Yifeng; Tian, He","Modular synthesis of (C-10 to C-13)-substituted-9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazines via a subsequent Buchwald-Hartwig amination and C-H amination strategy.","Chemical communications (Cambridge, England)","2020","56","15","2260","2263","10.1039/c9cc09997b","","","0.71073","MoKα","","0.0422","0.0355","","","0.0827","0.0877","","","","","","1.086","","","","has coordinates","248845","2020-10-21","18:00:00",""
"7125825","44.109","0.002","10.1725","0.0005","9.6069","0.0005","90","","90.827","0.002","90","","4310.2","0.4","300","2","300.02","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C216 H176 N16 O16 -","8","1","","Yu, Qing; Zhang, Xiaodong; Wu, Shou-Ting; Chen, Huaiyu; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li; Zhu, Bi-Xue; Ni, Xin-Long","Twisted Schiff-base macrocycle showing excited-state intramolecular proton-transfer (ESIPT): assembly and sensing properties.","Chemical communications (Cambridge, England)","2020","56","15","2304","2307","10.1039/c9cc09540c","","","0.71073","MoKα","","0.0686","0.0538","","","0.1339","0.1438","","","","","","1.062","","","","has coordinates","248844","2020-10-21","18:00:00",""
"7125826","8.8862","0.0004","9.2731","0.0005","14.1317","0.0006","90.728","0.004","101.126","0.004","116.691","0.005","1014.27","0.1","291.19","0.19","291.19","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Br N O2 -","- C24 H26 Br N O2 -","- C48 H52 Br2 N2 O4 -","2","1","","Zhao, Quan-Sheng; Xu, Guo-Qiang; Xu, Ji-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","A lutidine-promoted photoredox catalytic atom-transfer radical cyclization reaction for the synthesis of 4-bromo-3,3-dialkyl-octahydro-indol-2-ones.","Chemical communications (Cambridge, England)","2020","56","14","2206","2209","10.1039/c9cc09876c","","x-ray","1.54184","CuKα","","0.043","0.0412","","","0.1066","0.1082","","","","","","1.068","","","","has coordinates","248832","2020-10-21","18:00:00",""
"7125827","8.7322","0.0005","9.3453","0.0004","13.9189","0.0007","90.64","0.004","99.884","0.004","116.102","0.005","1000.03","0.1","291.96","0.1","291.96","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl N O2 -","- C24 H26 Cl N O2 -","- C48 H52 Cl2 N2 O4 -","2","1","","Zhao, Quan-Sheng; Xu, Guo-Qiang; Xu, Ji-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","A lutidine-promoted photoredox catalytic atom-transfer radical cyclization reaction for the synthesis of 4-bromo-3,3-dialkyl-octahydro-indol-2-ones.","Chemical communications (Cambridge, England)","2020","56","14","2206","2209","10.1039/c9cc09876c","","x-ray","1.54184","CuKα","","0.05","0.0473","","","0.1218","0.1248","","","","","","1.078","","","","has coordinates","248832","2020-10-21","18:00:00",""
"7125828","9.0527","0.0001","10.5367","0.0001","17.9083","0.0002","90","","90","","90","","1708.19","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F2 N2 O4 -","- C18 H16 F2 N2 O4 -","- C72 H64 F8 N8 O16 -","4","1","","Kong, Wei-Xin; Xie, Shi-Jing; Cao, Chen-Yao-Zi; Zhang, Chao-Wei; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric construction of quaternary α-nitro amides by palladium-catalyzed C(sp<sup>3</sup>)-H arylation.","Chemical communications (Cambridge, England)","2020","56","15","2292","2295","10.1039/c9cc07854a","","","1.54178","CuKα","","0.037","0.0351","","","0.1024","0.105","","","","","","1.066","","","","has coordinates","248843","2020-10-21","18:00:00",""
"7125829","13.00568","0.00011","19.41913","0.00017","19.00129","0.00017","90","","105.701","0.0009","90","","4619.87","0.07","119.94","0.16","119.94","0.16","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C86 H142 Al2 K2 N6 O2 Si4 -","- C86 H142 Al2 K2 N6 O2 Si4 -","- C172 H284 Al4 K4 N12 O4 Si8 -","2","0.5","","Anker, Mathew D.; Schwamm, Ryan J.; Coles, Martyn P.","Synthesis and reactivity of a terminal aluminium-imide bond.","Chemical communications (Cambridge, England)","2020","56","15","2288","2291","10.1039/c9cc09214e","","x-ray","1.54184","CuKα","","0.034","0.0306","","","0.0792","0.0815","","","","","","1.026","","","","has coordinates","248839","2020-10-21","18:00:00",""
"7125830","10.22272","0.00006","26.48398","0.00015","15.22743","0.00009","90","","93.9074","0.0005","90","","4113.07","0.04","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H114 Al2 K2 N6 O6 Si4 -","- C76 H114 Al2 K2 N6 O6 Si4 -","- C152 H228 Al4 K4 N12 O12 Si8 -","2","0.5","","Anker, Mathew D.; Schwamm, Ryan J.; Coles, Martyn P.","Synthesis and reactivity of a terminal aluminium-imide bond.","Chemical communications (Cambridge, England)","2020","56","15","2288","2291","10.1039/c9cc09214e","","x-ray","1.54184","CuKα","","0.0313","0.029","","","0.0732","0.0747","","","","","","1.023","","","","has coordinates","248839","2020-10-21","18:00:00",""
"7125831","24.857","0.003","8.2443","0.0008","17.849","0.002","90","","104.733","0.012","90","","3537.5","0.7","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C176 H144 N16 O16 -","8","1","","He, Shiyu; Yan, Xufei; Lei, Yanxi; Xiang, Haifeng; Zhou, Xiangge","Rhodium-catalyzed annulative coupling of N-aryl-2-aminopyridine and propargylic amine via selective C-C and C-H bond activation.","Chemical communications (Cambridge, England)","2020","56","15","2284","2287","10.1039/c9cc09777e","","x-ray","0.71073","MoKα","","0.0796","0.0483","","","0.121","0.1369","","","","","","1.038","","","","has coordinates","248838","2020-10-21","18:00:00",""
"7125832","6.3469","0.0006","21.271","0.002","25.867","0.002","90","","90","","90","","3492.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 F3 N O -","- C20 H20 F3 N O -","- C160 H160 F24 N8 O8 -","8","1","","Liang, Xiaoyu; Guo, Pan; Yang, Wenjie; Li, Meng; Jiang, Chengzhou; Sun, Wangbin; Loh, Teck-Peng; Jiang, Yaojia","Stereoselective synthesis of trifluoromethyl-substituted 2H-furan-amines from enaminones.","Chemical communications (Cambridge, England)","2020","56","13","2043","2046","10.1039/c9cc08582c","","","0.71073","MoKα","","0.1269","0.0525","","","0.0922","0.114","","","","","","1.044","","","","has coordinates","248824","2020-10-21","18:00:00",""
"7125833","15.4864","0.0006","17.4686","0.0007","21.7327","0.0009","90","","92.335","0.001","90","","5874.4","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H98 Fe K N3 O8 Si6 -","- C38 H98 Fe K N3 O8 Si6 -","- C152 H392 Fe4 K4 N12 O32 Si24 -","4","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.0539","0.0367","","","0.0839","0.0913","","","","","","1.027","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125834","11.66","0.002","13.061","0.002","20.875","0.004","73.368","0.005","74.116","0.006","75.985","0.005","2883.1","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H82 Fe K N2 O6 P2 Si4 -","- C50 H82 Fe K N2 O6 P2 Si4 -","- C100 H164 Fe2 K2 N4 O12 P4 Si8 -","2","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.1579","0.1199","","","0.2716","0.2856","","","","","","1.12","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125835","13.1704","0.0006","15.3361","0.0007","15.4398","0.0007","97.045","0.002","103.248","0.002","95.214","0.002","2989.7","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H82.48 Fe K N O8 P2 Si2 -","- C56 H82.48 Fe K N O8 P2 Si2 -","- C112 H164.96 Fe2 K2 N2 O16 P4 Si4 -","2","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.0453","0.0336","","","0.0713","0.0755","","","","","","1.025","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125836","12.5633","0.0005","35.5283","0.0014","15.3551","0.0007","90","","99.326","0.002","90","","6763.2","0.5","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 Fe K N2 O8 P2 Si4 -","- C58 H98 Fe K N2 O8 P2 Si4 -","- C232 H392 Fe4 K4 N8 O32 P8 Si16 -","4","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.0511","0.0414","","","0.0973","0.1018","","","","","","1.064","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125837","8.746","0.008","10.239","0.01","21.43","0.02","90","","97.29","0.08","90","","1904","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Wang, Bo; He, Dan; Ren, Beige; Yao, Tuanli","Synthesis of imides via palladium-catalyzed three-component coupling of aryl halides, isocyanides and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","6","900","903","10.1039/c9cc08438j","","","0.71073","MoKα","","0.2019","0.0768","","","0.1784","0.2255","","","","","","1.044","","","","has coordinates","247060","2020-10-21","18:00:00",""
"7125838","8.7448","0.0008","12.2039","0.0012","13.7109","0.0012","71.125","0.004","73.114","0.004","76.737","0.004","1309.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O2 -","- C34 H31 N O2 -","- C68 H62 N2 O4 -","2","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0941","0.0763","","","0.2389","0.2467","","","","","","1.076","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125839","16.515","0.004","6.8442","0.0013","24.238","0.004","90","","105.844","0.006","90","","2635.6","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30.5 N O2.5 -","- C35 H30.5 N O2.25 -","- C140 H122 N4 O9 -","4","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.1437","0.0791","","","0.1711","0.2014","","","","","","1.029","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125840","8.0461","0.0004","25.3743","0.0011","9.3223","0.0005","90","","98.68","0.002","90","","1881.48","0.16","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H49 Cl2 N O2 -","- C43 H49 Cl2 N O2 -","- C86 H98 Cl4 N2 O4 -","2","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0844","0.0653","","","0.1573","0.1683","","","","","","1.074","","","","has coordinates,has disorder","248823","2020-10-21","18:00:00",""
"7125841","10.694","0.001","14.5078","0.0015","16.6117","0.0017","96.571","0.005","104.496","0.005","90.146","0.005","2477.5","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H31 N -","- C34 H31 N -","- C136 H124 N4 -","4","2","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.1328","0.0985","","","0.2561","0.2837","","","","","","1.032","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125842","15.828","0.006","16.995","0.006","16.819","0.01","90","","90","","90","","4524","4","150","2","150","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C56 H59 N -","- C56 H59 N -","- C224 H236 N4 -","4","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0778","0.0544","","","0.1118","0.1219","","","","","","1.04","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125843","6.3152","0.0002","10.7638","0.0003","24.7246","0.0008","85.9667","0.0013","87.0612","0.0015","88.1823","0.0014","1673.63","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H47 N -","- C42 H47 N -","- C84 H94 N2 -","2","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.062","0.0523","","","0.132","0.1384","","","","","","1.022","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125844","8.755","0.0004","20.6545","0.0011","9.7582","0.0005","90","","106.074","0.002","90","","1695.59","0.15","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H37 Cl2 N -","- C45 H37 Cl2 N -","- C90 H74 Cl4 N2 -","2","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0728","0.056","","","0.1345","0.1433","","","","","","1.048","","","","has coordinates,has disorder","248823","2020-10-21","18:00:00",""
"7125845","19.1224","0.0007","13.9671","0.0005","20.7356","0.0007","90","","93.252","0.001","90","","5529.2","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C68 H83 N -","- C68 H83 N -","- C272 H332 N4 -","4","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0613","0.0503","","","0.1233","0.13","","","","","","1.033","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125846","10.3051","0.0004","12.5154","0.0006","13.8322","0.0006","73.95","0.002","68.779","0.002","80.981","0.002","1594.98","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H43 N O2 -","- C40 H43 N O2 -","- C80 H86 N2 O4 -","2","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0872","0.0587","","","0.145","0.1596","","","","","","1.031","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125847","12.8294","0.0002","12.9628","0.0002","17.3033","0.0005","81.9569","0.0007","83.7579","0.0007","84.127","0.002","2821.31","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 F4 N12 O21 S5 -","- C40 H44 F4 N12 O21 S5 -","- C80 H88 F8 N24 O42 S10 -","2","1","","Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Pascal, Simon; Galiana, Joachim; Giorgi, Michel; Chen, Zhongrui; Jacquemin, Denis; Siri, Olivier","Fused bis-azacalixphyrin that reaches NIR-II absorptions.","Chemical communications (Cambridge, England)","2020","56","6","896","899","10.1039/c9cc09021e","","","0.71073","MoKα","","0.1416","0.0891","","","0.2328","0.2752","","","","","","1.026","","","","has coordinates,has disorder","247062","2020-10-21","18:00:00",""
"7125848","10.993","0.0003","12.9694","0.0004","14.3295","0.0007","94.206","0.003","106.083","0.003","103.833","0.003","1884.65","0.13","223","0.1","223","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H47 N10 O8 -","- C37 H47 N10 O8 -","- C74 H94 N20 O16 -","2","1","","Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Pascal, Simon; Galiana, Joachim; Giorgi, Michel; Chen, Zhongrui; Jacquemin, Denis; Siri, Olivier","Fused bis-azacalixphyrin that reaches NIR-II absorptions.","Chemical communications (Cambridge, England)","2020","56","6","896","899","10.1039/c9cc09021e","","x-ray","1.54184","CuKα","","0.0753","0.0652","","","0.1735","0.1824","","","","","","1.039","","","","has coordinates","247062","2020-10-21","18:00:00",""
"7125849","9.6383","0.0016","17.821","0.003","16.177","0.003","90","","91.925","0.006","90","","2777.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B Cl N6 Ni -","- C27 H38 B Cl N6 Ni -","- C108 H152 B4 Cl4 N24 Ni4 -","4","1","","Hill, Ethan A.; Zhao, Norman; Filatov, Alexander S.; Anderson, John S.","Nickel(ii)-methyl complexes adopting unusual seesaw geometries.","Chemical communications (Cambridge, England)","2020","56","57","7861","7864","10.1039/c9cc09249h","","","0.71073","MoKα","","0.0633","0.0385","","","0.0847","0.0939","","","","","","1.014","","","","has coordinates","254883","2020-10-21","18:00:00",""
"7125850","34.481","0.003","34.481","0.003","13.9826","0.0014","90","","90","","90","","16624","3","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C46 H59 B N6 Ni -","- C46 H59 B N6 Ni -","- C736 H944 B16 N96 Ni16 -","16","1","","Hill, Ethan A.; Zhao, Norman; Filatov, Alexander S.; Anderson, John S.","Nickel(ii)-methyl complexes adopting unusual seesaw geometries.","Chemical communications (Cambridge, England)","2020","56","57","7861","7864","10.1039/c9cc09249h","","x-ray","0.41328","synchrotron","","0.0434","0.0412","","","0.0984","0.0997","","","","","","1.087","","","","has coordinates","254883","2020-10-21","18:00:00",""
"7125851","23.311","0.003","39.04","0.004","27.663","0.005","90","","106.026","0.004","90","","24197","6","200","2","200.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C154 H396 N72 Na2 Ni37.99 O280 P6 S6 W58.01 -","- C154 H396 N72 Na2 Ni37.984 O280 P6 S6 W58.016 -","- C308 H792 N144 Na4 Ni75.968 O560 P12 S12 W116.032 -","2","0.25","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","","0.71073","MoKα","","0.0721","0.0422","","","0.0947","0.1196","","","","","","1.141","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125852","13.4978","0.0005","14.1387","0.0005","35.9568","0.0012","90","","90","","90","","6862","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H57 N11 Ni7 O43 P W9 -","- C23 H57 N11 Ni7 O43 P W9 -","- C92 H228 N44 Ni28 O172 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.0413","0.0371","","","0.0804","0.0826","","","","","","1.046","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125853","13.4578","0.0004","14.1507","0.0006","36.0116","0.0011","90","","90","","90","","6858","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C23 H58 N10 Ni7 O43 P W9 -","- C23 H60 N10 Ni7 O44 P W9 -","- C92 H240 N40 Ni28 O176 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.044","0.0376","","","0.0764","0.0793","","","","","","1.014","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125854","13.5091","0.0002","14.2789","0.0002","36.111","0.0006","90","","90","","90","","6965.63","0.18","100","0.11","100","0.11","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H60 N10 Ni7 O45 P W9 -","- C23 H60 N10 Ni7 O45 P W9 -","- C92 H240 N40 Ni28 O180 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.0387","0.0372","","","0.0913","0.0924","","","","","","1.042","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125855","7.7407","0.0003","9.4632","0.0004","13.1078","0.0005","74.013","0.003","80.178","0.003","67.671","0.004","851.47","0.06","99.97","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 F5 Si2 -","- C16 H17 F5 Si2 -","- C32 H34 F10 Si4 -","2","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","1.54184","CuKα","","0.0279","0.0265","","","0.0756","0.0767","","","","","","1.038","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125856","7.4433","0.0004","15.7582","0.0009","18.0844","0.0012","89.433","0.005","81.593","0.005","80.33","0.005","2068.3","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl5 F5 Si2 -","- C16 H12 Cl5 F5 Si2 -","- C64 H48 Cl20 F20 Si8 -","4","2","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","0.71073","MoKα","","0.0358","0.0293","","","0.0715","0.0736","","","","","","1.053","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125857","9.0639","0.0003","9.3355","0.0003","13.4071","0.0004","94.436","0.002","104.175","0.003","113.509","0.003","988.88","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 Cl5 Si2 -","- C16 H17 Cl5 Si2 -","- C32 H34 Cl10 Si4 -","2","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","0.71073","MoKα","","0.0428","0.0323","","","0.0746","0.0797","","","","","","1.021","","","","has coordinates,has disorder","248842","2020-10-21","18:00:00",""
"7125858","7.5524","0.0004","14.9892","0.0006","18.806","0.0009","90","","101.387","0.004","90","","2087.02","0.17","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl5 F5 Si2 -","- C16 H12 Cl5 F5 Si2 -","- C64 H48 Cl20 F20 Si8 -","4","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","1.54184","CuKα","","0.0423","0.0375","","","0.1005","0.1051","","","","","","1.041","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125859","7.461","0.0002","19.0631","0.0005","14.6867","0.0003","90","","91.567","0.002","90","","2088.11","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl5 F5 Si2 -","- C16 H12 Cl5 F5 Si2 -","- C64 H48 Cl20 F20 Si8 -","4","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","0.71073","MoKα","","0.0606","0.0395","","","0.0898","0.1004","","","","","","1.046","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125860","47.989","0.01","47.989","0.01","13.297","0.003","90","","90","","120","","26520","10","150","2","150","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C87 H39 N3 Ni3 O39 Tb3 -","- C87 H39 N3 Ni3 O39 Tb3 -","- C522 H234 N18 Ni18 O234 Tb18 -","6","0.166667","","Chen, Hongtai; Zhuang, Gui-Lin; Fan, Liming; Zhang, Xiutang; Gao, Lin-Na; Sun, Di","A highly robust heterometallic Tb<sup>III</sup>/Ni<sup>II</sup>-organic framework for C<sub>2</sub> hydrocarbon separation and capture.","Chemical communications (Cambridge, England)","2020","56","13","2047","2050","10.1039/c9cc09425c","","","0.71073","MoKα","","0.1359","0.0781","","","0.2292","0.2856","","","","","","1.002","","","","has coordinates,has disorder","248825","2020-10-21","18:00:00",""
"7125861","16.6224","0.0003","11.4096","0.0003","12.9021","0.0003","90","","97.1063","0.0019","90","","2428.15","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2:1 cyanuric triazide/benzotrifuroxan cocrystal","","- C6 N15 O3 -","- C6 N15 O3 -","- C48 N120 O24 -","8","1","","Foroughi, Leila M.; Wiscons, Ren A.; Du Bois, Derek R.; Matzger, Adam J.","Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization.","Chemical communications (Cambridge, England)","2020","56","14","2111","2114","10.1039/c9cc09465b","","x-ray","1.54184","CuKα","","0.0303","0.0272","","","0.0703","0.0721","","","","","","1.108","","","","has coordinates,has disorder","248837","2020-10-21","18:00:00",""
"7125862","17.0625","0.0014","11.4704","0.0011","13.02","0.001","90","","97.727","0.008","90","","2525.1","0.4","298.4","0.4","298.4","0.4","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-triazido-1,3,5-triazine benzenetrifuroxan","","- C6 N15 O3 -","- C6 N15 O3 -","- C48 N120 O24 -","8","1","","Foroughi, Leila M.; Wiscons, Ren A.; Du Bois, Derek R.; Matzger, Adam J.","Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization.","Chemical communications (Cambridge, England)","2020","56","14","2111","2114","10.1039/c9cc09465b","","x-ray","1.54184","CuKα","","0.116","0.0793","","","0.2299","0.2685","","","","","","1.025","","","","has coordinates,has disorder","248837","2020-10-21","18:00:00",""
"7125863","14.3043","0.0011","9.7587","0.0007","12.3878","0.0007","90","","105.846","0.007","90","","1663.5","0.2","295.9","0.2","295.9","0.2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Deng, Xiong-Fei; Wang, Ying-Wei; Zhang, Shi-Qi; Li, Ling; Li, Guang-Xun; Zhao, Gang; Tang, Zhuo","An organocatalytic asymmetric Friedel-Crafts reaction of 2-substituted indoles with aldehydes: enantioselective synthesis of α-hydroxyl ketones by low loading of chiral phosphoric acid.","Chemical communications (Cambridge, England)","2020","56","16","2499","2502","10.1039/c9cc09637j","","x-ray","1.54184","CuKα","","0.096","0.0933","","","0.2933","0.2996","","","","","","1.372","","","","has coordinates","248816","2020-10-21","18:00:00",""
"7125864","20.4932","0.0017","25.8736","0.0011","9.652","0.0004","90","","99.109","0.006","90","","5053.3","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H38 N6 O4 Zn2 -","- C42 H38 N6 O4 Zn2 -","- C168 H152 N24 O16 Zn8 -","4","1","","Ma, Xue; Zhang, Yanhao; Gao, Yu; Li, Xinglin; Wang, Cuijie; Yuan, Hang; Yu, Ajuan; Zhang, Shusheng; Cui, Yuanyuan","Revelation of the chiral recognition of alanine and leucine in an l-phenylalanine-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","7","1034","1037","10.1039/c9cc05912a","","","0.71073","MoKα","","0.0869","0.0539","","","0.1599","0.1808","","","","","","1.086","","","","has coordinates,has disorder","247171","2020-10-21","18:00:00",""
"7125865","12.777","0.008","5.986","0.003","17.896","0.007","90","","93.909","0.015","90","","1365.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(1-oxo-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)propanoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Satyam, Killari; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","N-Heterocyclic carbene (NHC)-catalyzed tandem imine umpolung-aza-Michael addition-oxidation of β-carboline cyclic imines.","Chemical communications (Cambridge, England)","2020","56","18","2803","2806","10.1039/d0cc00321b","","","0.71073","MoKα","","0.0603","0.0493","","","0.1343","0.1429","","","","","","1.059","","","","has coordinates,has disorder","248846","2020-10-21","18:00:00",""
"7125866","10.613","0.007","23.82","0.014","19.202","0.014","90","","105.61","0.013","90","","4675","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 O5 -","- C26 H18 Cl2 O5 -","- C208 H144 Cl16 O40 -","8","2","","Feng, Shumin; Gong, Shengyi; Feng, Guoqiang","Aggregation-induced emission and solid fluorescence of fluorescein derivatives.","Chemical communications (Cambridge, England)","2020","56","16","2511","2513","10.1039/c9cc09784h","","","0.71073","MoKα","","0.1807","0.1472","","","0.3353","0.3592","","","","","","1.075","","","","has coordinates,has disorder","248817","2020-10-21","18:00:00",""
"7125867","8.5365","0.0019","10.915","0.002","18.183","0.004","90","","90","","90","","1694.2","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O5 -","- C22 H16 O5 -","- C88 H64 O20 -","4","1","","Feng, Shumin; Gong, Shengyi; Feng, Guoqiang","Aggregation-induced emission and solid fluorescence of fluorescein derivatives.","Chemical communications (Cambridge, England)","2020","56","16","2511","2513","10.1039/c9cc09784h","","","0.71073","MoKα","","0.0491","0.0354","","","0.0852","0.0942","","","","","","1.014","","","","has coordinates","248817","2020-10-21","18:00:00",""
"7125868","13.6086","0.0006","12.8562","0.0006","11.7791","0.0006","90","","97.382","0.002","90","","2043.73","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 S8 -","- C18 H12 N2 S8 -","- C72 H48 N8 S32 -","4","1","","Bechu, Damien; Xie, Lilia S.; Le Breton, Nolwenn; Choua, Sylvie; Dincă, Mircea; Hosseini, Mir Wais; Baudron, Stéphane A","Interdigitated conducting tetrathiafulvalene-based coordination networks.","Chemical communications (Cambridge, England)","2020","56","16","2407","2410","10.1039/c9cc09960c","","","0.71073","MoKα","","0.0424","0.0309","","","0.072","0.079","","","","","","1.02","","","","has coordinates","248818","2020-10-21","18:00:00",""
"7125869","36.701","0.004","9.6026","0.0009","20.217","0.0019","90","","121.187","0.002","90","","6095.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 Cl9 Fe N6 S18 -","- C41 H27 Cl9 Fe N6 S18 -","- C164 H108 Cl36 Fe4 N24 S72 -","4","0.5","","Bechu, Damien; Xie, Lilia S.; Le Breton, Nolwenn; Choua, Sylvie; Dincă, Mircea; Hosseini, Mir Wais; Baudron, Stéphane A","Interdigitated conducting tetrathiafulvalene-based coordination networks.","Chemical communications (Cambridge, England)","2020","56","16","2407","2410","10.1039/c9cc09960c","","","0.71073","MoKα","","0.1056","0.0605","","","0.1391","0.161","","","","","","1.032","","","","has coordinates,has disorder","248818","2020-10-21","18:00:00",""
"7125870","36.6636","0.0017","9.568","0.0005","20.1665","0.0013","90","","121.372","0.004","90","","6040.1","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 Cl9 Co N6 S18 -","- C41 H27 Cl9 Co N6 S18 -","- C164 H108 Cl36 Co4 N24 S72 -","4","0.5","","Bechu, Damien; Xie, Lilia S.; Le Breton, Nolwenn; Choua, Sylvie; Dincă, Mircea; Hosseini, Mir Wais; Baudron, Stéphane A","Interdigitated conducting tetrathiafulvalene-based coordination networks.","Chemical communications (Cambridge, England)","2020","56","16","2407","2410","10.1039/c9cc09960c","","","0.71073","MoKα","","0.0698","0.0604","","","0.1663","0.1762","","","","","","1.064","","","","has coordinates,has disorder","248818","2020-10-21","18:00:00",""
"7125871","14.5594","0.0006","12.0737","0.0005","18.6579","0.0008","90","","103.921","0.004","90","","3183.5","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","2","","Qian, Lei-Lei; Min, Xiang-Ting; Hu, Yan-Cheng; Shen, Bing-Xue; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An","Ruthenium(ii)-catalyzed intermolecular annulation of alkenyl sulfonamides with alkynes: access to bicyclic sultams.","Chemical communications (Cambridge, England)","2020","56","17","2614","2617","10.1039/d0cc00093k","","","0.71073","MoKα","","0.0561","0.0427","","","0.11","0.1219","","","","","","1.009","","","","has coordinates","248809","2020-10-21","18:00:00",""
"7125872","12.7146","0.0006","15.4589","0.0007","16.874","0.0008","90.091","0.002","111.105","0.002","99.087","0.002","3049.2","0.3","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H38 Cl2 N6 O7 Pt -","- C22 H38 Cl2 N6 O7 Pt -","- C88 H152 Cl8 N24 O28 Pt4 -","4","2","","Shu, Liwei; Ren, Lulu; Wang, Yuchen; Fang, Tao; Ye, Zhijian; Han, Weidong; Chen, Chao; Wang, Hangxiang","Niacin-ligated platinum(iv)-ruthenium(ii) chimeric complexes synergistically suppress tumor metastasis and growth with potentially reduced toxicity in vivo.","Chemical communications (Cambridge, England)","2020","56","20","3069","3072","10.1039/c9cc09016a","","","0.71073","MoKα","","0.0244","0.0212","","","0.051","0.0528","","","","","","1.047","","","","has coordinates,has disorder","250189","2020-10-21","18:00:00",""
"7125873","24.294","0.0002","18.1452","0.0002","22.5707","0.0002","90","","105.538","0.001","90","","9585.98","0.16","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Dy3 O22 -","- C32 H33 Dy3 O21 -","- C256 H264 Dy24 O168 -","8","1","","Zhong, Li; Chen, Wen-Bin; OuYang, Zhi-Jian; Yang, Meng; Zhang, Yi-Quan; Gao, Song; Schulze, Michael; Wernsdorfer, Wolfgang; Dong, Wen","Unprecedented one-dimensional chain and two-dimensional network dysprosium(iii) single-molecule toroics with white-light emission.","Chemical communications (Cambridge, England)","2020","56","17","2590","2593","10.1039/c9cc08852k","","x-ray","1.54184","CuKα","","0.0583","0.0528","","","0.1514","0.1551","","","","","","1.122","","","","has coordinates","248807","2020-10-21","18:00:00",""
"7125874","15.0529","0.0005","16.5502","0.0005","19.5506","0.0005","66.985","0.003","74.839","0.003","78.055","0.003","4296.7","0.2","100","0.11","100","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 Dy6 O36 -","- C48 H56 Dy6 O36 -","- C96 H112 Dy12 O72 -","2","1","","Zhong, Li; Chen, Wen-Bin; OuYang, Zhi-Jian; Yang, Meng; Zhang, Yi-Quan; Gao, Song; Schulze, Michael; Wernsdorfer, Wolfgang; Dong, Wen","Unprecedented one-dimensional chain and two-dimensional network dysprosium(iii) single-molecule toroics with white-light emission.","Chemical communications (Cambridge, England)","2020","56","17","2590","2593","10.1039/c9cc08852k","","x-ray","1.54184","CuKα","","0.1256","0.0962","","","0.2565","0.2846","","","","","","0.995","","","","has coordinates","248807","2020-10-21","18:00:00",""
"7125875","14.0335","0.0007","19.5712","0.0008","18.2778","0.0009","90","","100.406","0.005","90","","4937.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H81 N5 O6 -","- C47 H81 N5 O6 -","- C188 H324 N20 O24 -","4","1","","Turner, Nicholas A.; Freeman, Matthew B.; Pratt, Harry D.; Crockett, Austin E.; Jones, Daniel S.; Anstey, Mitchell R.; Anderson, Travis M.; Bejger, Christopher M.","Desymmetrized hexasubstituted [3]radialene anions as aqueous organic catholytes for redox flow batteries.","Chemical communications (Cambridge, England)","2020","56","18","2739","2742","10.1039/c9cc08547e","","x-ray","0.71073","MoKα","","0.0929","0.057","","","0.1225","0.1431","","","","","","1.017","","","","has coordinates,has disorder","248850","2020-10-21","18:00:00",""
"7125876","19.7559","0.0003","12.4952","0.0002","38.3843","0.0008","90","","93.145","0.002","90","","9461","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 N6 O4 -","- C46 H78 N6 O4 -","- C368 H624 N48 O32 -","8","2","","Turner, Nicholas A.; Freeman, Matthew B.; Pratt, Harry D.; Crockett, Austin E.; Jones, Daniel S.; Anstey, Mitchell R.; Anderson, Travis M.; Bejger, Christopher M.","Desymmetrized hexasubstituted [3]radialene anions as aqueous organic catholytes for redox flow batteries.","Chemical communications (Cambridge, England)","2020","56","18","2739","2742","10.1039/c9cc08547e","","x-ray","1.54184","CuKα","","0.1204","0.0942","","","0.2573","0.2878","","","","","","1.033","","","","has coordinates,has disorder","248850","2020-10-21","18:00:00",""
"7125877","9.314","0.0004","21.8053","0.0013","9.5831","0.0005","90","","94.306","0.004","90","","1940.78","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Cl N3 O4 -","- C21 H16 Cl N3 O4 -","- C84 H64 Cl4 N12 O16 -","4","2","","Ge, Zhen-Zhen; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhou, Ming-Qiang; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Asymmetric dearomatization of 2-nitrobenzofurans by organocatalyzed one-step Michael addition to access 3,3'-disubstituted oxindoles.","Chemical communications (Cambridge, England)","2020","56","17","2586","2589","10.1039/c9cc09939e","","x-ray","1.54184","CuKα","","0.0508","0.0448","","","0.113","0.1204","","","","","","1.032","","","","has coordinates","248810","2020-10-21","18:00:00",""
"7125878","26.6947","0.0001","26.6947","0.0001","50.0946","0.0003","90","","90","","90","","35697.8","0.3","100","","100","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","chiral Ag18S","Ag18(μ8-S)(p-TBBT)16(PPh3)8","","- C349.68 H478.7 Ag18 O29.68 P8 S17 -","- C320 H360 Ag18 P8 S17 -","- C1280 H1440 Ag72 P32 S68 -","4","0.25","","Tian, Fan; Chen, Rong","Ag<sub>18</sub>(μ<sub>8</sub>-S)(p-TBBT)<sub>16</sub>(PPh<sub>3</sub>)<sub>8</sub>: symmetry breaking induced by the core to generate chirality.","Chemical communications (Cambridge, England)","2020","56","18","2719","2722","10.1039/c9cc10045h","","","1.54184","CuKα","","0.0623","0.0552","","","0.1533","0.1599","","","","","","1.044","","","","has coordinates,has disorder","248848","2020-10-21","18:00:00",""
"7125879","6.5347","0.0003","11.4519","0.0005","14.2937","0.0006","112.503","0.004","95.468","0.004","100.753","0.003","954.35","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N3 O2 -","- C21 H22 N3 O2 -","- C42 H44 N6 O4 -","2","1","","Zhuang, Jiabao; Yang, Hanxiao; Li, Yue; Wang, Bing; Li, Nan; Zhao, Na","Efficient photosensitizers with aggregation-induced emission characteristics for lysosome- and Gram-positive bacteria-targeted photodynamic therapy.","Chemical communications (Cambridge, England)","2020","56","17","2630","2633","10.1039/d0cc00394h","","x-ray","1.54184","CuKα","","0.0547","0.0469","","","0.1338","0.1434","","","","","","1.047","","","","has coordinates","248812","2020-10-21","18:00:00",""
"7125880","40.8647","0.0013","28.7021","0.0009","26.5738","0.0009","90","","129.6","0.001","90","","24015.7","1.4","120","2","119.96","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C206 H299 N33 O21 P2 -","- C191 H261 N32 O20.9438 P2 -","- C764 H1044 N128 O83.7752 P8 -","4","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.104","0.0958","","","0.2211","0.2269","","","","","","1.064","","","","has coordinates,has disorder","248819","2020-10-21","18:00:00",""
"7125881","40.912","0.005","28.685","0.005","26.497","0.005","90","","129.742","0.012","90","","23911","8","120","2","119.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C204 H294 N32 O20 P2 -","- C188.46 H256.38 N31 O20 P2 -","- C753.84 H1025.52 N124 O80 P8 -","4","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.106","0.0923","","","0.207","0.2127","","","","","","1.072","","","","has coordinates,has disorder","248819","2020-10-21","18:00:00",""
"7125882","25.958","0.003","25.958","0.003","28.548","0.008","90","","90","","90","","19236","6","158","2","158.01","","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C87 H117 N16 O10 P -","- C87 H117 N16 O10 P -","- C696 H936 N128 O80 P8 -","8","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.068","0.0674","","","0.1941","0.1955","","","","","","1.031","","","","has coordinates","248819","2020-10-21","18:00:00",""
"7125883","10.712","0.001","26.2639","0.0017","9.6385","0.0009","90","","114.352","0.011","90","","2470.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N3 -","- C33 H25 N3 -","- C132 H100 N12 -","4","1","","Liang, Taoyuan; Gong, Lingzhen; Zhao, He; Jiang, Huanfeng; Zhang, Min","Straightforward access to novel indolo[2,3-b]indoles via aerobic copper-catalyzed [3+2] annulation of diarylamines and indoles.","Chemical communications (Cambridge, England)","2020","56","18","2807","2810","10.1039/d0cc00178c","","","0.71073","MoKα","","0.0923","0.0596","","","0.1387","0.1594","","","","","","1.013","","","","has coordinates","248847","2020-10-21","18:00:00",""
"7125884","9.529","0.0019","23.743","0.005","18.276","0.004","90","","96.35","0.03","90","","4109.5","1.5","100","2","100","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C70 H111 F3 N10 O24 -","- C70.3 H95.1 F2.1 N10 O22.3 -","- C140.6 H190.2 F4.2 N20 O44.6 -","2","1","","Cringoli, Maria Cristina; Romano, Chiara; Parisi, Evelina; Waddington, Lynne J.; Melchionna, Michele; Semeraro, Sabrina; De Zorzi, Rita; Grönholm, Mikaela; Marchesan, Silvia","Bioadhesive supramolecular hydrogel from unprotected, short d,l-peptides with Phe-Phe and Leu-Asp-Val motifs.","Chemical communications (Cambridge, England)","2020","56","20","3015","3018","10.1039/c9cc09947f","","x-ray","0.7","Synchrotron","","0.1155","0.0939","","","0.256","0.2819","","","","","","0.971","","","","has coordinates","250190","2020-10-21","18:00:00",""
"7125885","20.9232","0.001","22.2447","0.001","36.0709","0.0018","90","","104.29","0.002","90","","16269","1.3","275","2","275","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H175 Eu2 F18 N21 O36 Pt2 S6 -","- C90 H116 Eu2 F6 N16 O20 Pt2 S2 -","- C360 H464 Eu8 F24 N64 O80 Pt8 S8 -","4","0.5","","Zhu, Qiang-Yu; Zhou, Li-Peng; Cai, Li-Xuan; Li, Xiao-Zhen; Zhou, Jin; Sun, Qing-Fu","Chiral auxiliary and induced chiroptical sensing with 5d/4f lanthanide-organic macrocycles.","Chemical communications (Cambridge, England)","2020","56","19","2861","2864","10.1039/c9cc09733c","","","0.71073","MoKα","","0.0601","0.0389","","","0.1189","0.1341","","","","","","1.083","","","","has coordinates,has disorder","250178","2020-10-21","18:00:00",""
"7125886","13.8397","0.0009","16.9264","0.0009","21.3207","0.0012","68.595","0.002","81.719","0.002","77.817","0.002","4532.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C174 H213 Eu2 F18 N29 O35 Pt2 S6 -","- C144 H148 Eu2 F18 N24 O30 Pt2 S6 -","- C144 H148 Eu2 F18 N24 O30 Pt2 S6 -","1","0.5","","Zhu, Qiang-Yu; Zhou, Li-Peng; Cai, Li-Xuan; Li, Xiao-Zhen; Zhou, Jin; Sun, Qing-Fu","Chiral auxiliary and induced chiroptical sensing with 5d/4f lanthanide-organic macrocycles.","Chemical communications (Cambridge, England)","2020","56","19","2861","2864","10.1039/c9cc09733c","","","0.71073","MoKα","","0.1076","0.061","","","0.1534","0.1806","","","","","","1.022","","","","has coordinates","250178","2020-10-21","18:00:00",""
"7125887","51.495","0.0014","51.495","0.0014","48.469","0.003","90","","90","","120","","111308","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C922 H1222 N150 O268 Zn24 -","- C720 H504 N96 O144 Zn24 -","- C2160 H1512 N288 O432 Zn72 -","3","0.166667","","Pei, Wen-Yuan; Yang, Jin; Wu, Hui; Zhou, Wei; Yang, Ying-Wei; Ma, Jian-Fang","A calix[4]resorcinarene-based giant coordination cage: controlled assembly and iodine uptake.","Chemical communications (Cambridge, England)","2020","56","16","2491","2494","10.1039/d0cc00157k","","","0.71073","MoKα","","0.2286","0.1049","","","0.3039","0.3981","","","","","","1.077","","","","has coordinates,has disorder","248815","2020-10-21","18:00:00",""
"7125888","8.4228","0.0002","9.8609","0.0003","10.1038","0.0004","65.09","0.001","72.958","0.002","85.464","0.002","726.74","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Al2 F10 N2 -","- C30 H30 Al2 F10 N2 -","- C30 H30 Al2 F10 N2 -","1","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.039","0.0355","","","0.0858","0.0888","","","","","","1.064","","","","has coordinates","254884","2020-10-21","18:00:00",""
"7125889","9.1602","0.0002","21.937","0.0007","14.8657","0.0005","90","","97.288","0.002","90","","2963.09","0.15","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Al2 F10 -","- C32 H32 Al2 F10 -","- C128 H128 Al8 F40 -","4","1","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.1261","0.0764","","","0.1271","0.1414","","","","","","1.063","","","","has coordinates","254884","2020-10-21","18:00:00",""
"7125890","9.1825","0.0004","10.793","0.0005","14.8825","0.0007","90","","99.315","0.003","90","","1455.51","0.12","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Al2 F8 -","- C32 H34 Al2 F8 -","- C64 H68 Al4 F16 -","2","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.0699","0.0582","","","0.1262","0.1332","","","","","","1.089","","","","has coordinates,has disorder","254884","2020-10-21","18:00:00",""
"7125891","17.0235","0.0004","10.2649","0.0002","17.33","0.0004","90","","94.82","0.001","90","","3017.61","0.12","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Al2 F12 -","- C32 H30 Al2 F12 -","- C128 H120 Al8 F48 -","4","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.0602","0.0468","","","0.0956","0.1025","","","","","","1.067","","","","has coordinates","254884","2020-10-21","18:00:00",""
"7125892","8.4379","0.0002","9.9671","0.0003","11.3803","0.0003","115.809","0.001","98.981","0.002","92.895","0.001","843.48","0.04","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 Al2 F16 -","- C34 H30 Al2 F16 -","- C34 H30 Al2 F16 -","1","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.0465","0.0393","","","0.0931","0.0978","","","","","","1.037","","","","has coordinates,has disorder","254884","2020-10-21","18:00:00",""
"7125893","10.489","0.003","11.331","0.003","11.564","0.003","90.053","0.004","107.913","0.005","103.473","0.004","1267.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N4 O9 Pb2 -","- C22 H14 N4 O9 Pb2 -","- C44 H28 N8 O18 Pb4 -","2","1","","Liu, Jiao; Yang, Guo-Ping; Jin, Jing; Wu, Dan; Ma, Lu-Fang; Wang, Yao-Yu","A first new porous d-p HMOF material with multiple active sites for excellent CO<sub>2</sub> capture and catalysis.","Chemical communications (Cambridge, England)","2020","56","16","2395","2398","10.1039/c9cc09664g","","","0.71073","MoKα","","0.087","0.0749","","","0.257","0.2931","","","","","","0.968","","","","has coordinates","248821","2020-10-21","18:00:00",""
"7125894","10.1986","0.0004","12.074","0.0005","13.1106","0.0006","112.525","0.001","91.216","0.001","95.011","0.001","1482.93","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N4 O9 Pb Zn -","- C22 H14 N4 O9 Pb Zn -","- C44 H28 N8 O18 Pb2 Zn2 -","2","1","","Liu, Jiao; Yang, Guo-Ping; Jin, Jing; Wu, Dan; Ma, Lu-Fang; Wang, Yao-Yu","A first new porous d-p HMOF material with multiple active sites for excellent CO<sub>2</sub> capture and catalysis.","Chemical communications (Cambridge, England)","2020","56","16","2395","2398","10.1039/c9cc09664g","","","0.71073","MoKα","","0.0217","0.0204","","","0.0656","0.0664","","","","","","1.026","","","","has coordinates","248821","2020-10-21","18:00:00",""
"7125895","4.73398","0.00009","5.65377","0.0001","38.3824","0.0007","85.1193","0.0008","85.3321","0.0008","83.3811","0.0009","1014.09","0.03","213.1","","213.1","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Br N O2 -","- C20 H34 Br N O2 -","- C40 H68 Br2 N2 O4 -","2","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54187","CuKα","","","0.0416","","","","0.1102","","","","","","1.06","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125896","11.7148","0.001","24.8374","0.0017","17.6977","0.001","90","","98.486","0.002","90","","5093","0.6","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H75 Bi N4 Sb Si4 -","- C47 H75 Bi N4 Sb Si4 -","- C188 H300 Bi4 N16 Sb4 Si16 -","4","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.0602","0.059","","","0.1409","0.1414","","","","","","1.318","","","","has coordinates,has disorder","254872","2020-10-21","18:00:00",""
"7125897","20.7764","0.0008","9.9748","0.0004","42.2992","0.0015","90","","100.049","0.002","90","","8631.6","0.6","120","2","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H60 Bi N4 Sb Si4 -","- C38 H60 Bi N4 Sb Si4 -","- C304 H480 Bi8 N32 Sb8 Si32 -","8","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.0416","0.0334","","","0.0762","0.0809","","","","","","1.025","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125898","16.594","0.0006","12.7708","0.0004","21.9816","0.0008","90","","108.214","0.001","90","","4424.9","0.3","116","2","116","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 Bi N4 S Sb Si4 -","- C38 H60 Bi N4 S Sb Si4 -","- C152 H240 Bi4 N16 S4 Sb4 Si16 -","4","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.018","0.0178","","","0.0439","0.044","","","","","","1.128","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125899","10.5482","0.0004","12.2644","0.0005","19.2011","0.0008","90","","101.656","0.001","90","","2432.77","0.17","115","2","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Bi N4 Sb Si4 -","- C44 H72 Bi N4 Sb Si4 -","- C88 H144 Bi2 N8 Sb2 Si8 -","2","0.5","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.035","0.035","","","0.0959","0.0959","","","","","","1.112","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125900","7.3643","0.0008","8.6863","0.001","22.636","0.003","90","","90","","90","","1448","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 O4 -","- C15 H15 F3 O4 -","- C60 H60 F12 O16 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Construction of trifluoromethylated quaternary stereocenters via p-quinone methides.","Chemical communications (Cambridge, England)","2020","56","20","3031","3034","10.1039/c9cc08936e","","","0.71073","MoKα","","0.0747","0.0569","","","0.1294","0.1461","","","","","","1.073","","","","has coordinates","250191","2020-10-21","18:00:00",""
"7125901","8.6848","0.0003","9.8256","0.0003","13.1255","0.0005","84.786","0.003","88.888","0.003","89.989","0.003","1115.2","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 F3 O7 -","- C23 H25 F3 O7 -","- C46 H50 F6 O14 -","2","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Construction of trifluoromethylated quaternary stereocenters via p-quinone methides.","Chemical communications (Cambridge, England)","2020","56","20","3031","3034","10.1039/c9cc08936e","","","0.71073","MoKα","","0.061","0.0511","","","0.1197","0.1282","","","","","","0.959","","","","has coordinates","250191","2020-10-21","18:00:00",""
"7125902","9.34005","0.00017","9.81274","0.00018","26.8301","0.0019","90","","90","","90","","2459.02","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C112 H108 N4 O24 S4 -","4","1","","Kondo, Masaru; Wathsala, H. D. P.; Sako, Makoto; Hanatani, Yutaro; Ishikawa, Kazunori; Hara, Satoshi; Takaai, Takayuki; Washio, Takashi; Takizawa, Shinobu; Sasai, Hiroaki","Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut-Currier and [3+2] annulation sequence.","Chemical communications (Cambridge, England)","2020","56","8","1259","1262","10.1039/c9cc08526b","","","1.54187","CuKα","","0.0393","0.0352","","","0.0809","0.0824","","","","","","1.041","","","","has coordinates","247544","2020-10-21","18:00:00",""
"7125903","10.1681","0.0004","11.5222","0.0004","15.4679","0.0006","105.32","0.001","90.967","0.002","100.049","0.002","1717.2","0.11","296","2","296","2","","","","","","","","5","P 1","P 1","1","EIT752","","","- C36 H44 Br N O5 -","- C36 H44 Br N O5 -","- C72 H88 Br2 N2 O10 -","2","2","","Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario","Quaternary β<sup>2,2</sup>-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides.","Chemical communications (Cambridge, England)","2020","56","4","579","582","10.1039/c9cc09239k","","","0.71073","MoKα","","0.145","0.0652","","","0.1008","0.1234","","","","","","1.074","","","","has coordinates","247545","2020-10-21","18:00:00",""
"7125904","9.1974","0.0003","10.5189","0.0003","11.2152","0.0004","66.716","0.001","71.426","0.001","78.998","0.001","942.12","0.05","296","2","296","2","","","","","","","","4","P 1","P 1","1","EIT758","","","- C42 H49 N O5 -","- C42 H49 N O5 -","- C42 H49 N O5 -","1","1","","Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario","Quaternary β<sup>2,2</sup>-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides.","Chemical communications (Cambridge, England)","2020","56","4","579","582","10.1039/c9cc09239k","","","0.71073","MoKα","","0.0842","0.0513","","","0.1159","0.1335","","","","","","1.047","","","","has coordinates","247545","2020-10-21","18:00:00",""
"7125905","17.2464","0.0006","7.0762","0.0002","28.17","0.001","90","","103.591","0.001","90","","3341.57","0.19","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C152 H208 O24 -","8","2","","Shi, Linlin; He, Yingdong; Gong, Jianxian; Yang, Zhen","Concise gram-scale synthesis of Euphorikanin A skeleton through a domino ring-closing metathesis strategy.","Chemical communications (Cambridge, England)","2020","56","4","531","534","10.1039/c9cc08830j","","x-ray","1.54178","CuKα","","0.0526","0.0513","","","0.1369","0.1384","","","","","","1.035","","","","has coordinates","247546","2020-10-21","18:00:00",""
"7125906","9.94998","0.00009","15.8783","0.00014","31.7019","0.0003","90","","90","","90","","5008.54","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H57 N3 O6 -","- C60 H57 N3 O6 -","- C240 H228 N12 O24 -","4","1","","Lu, Fo-Yun; Chen, Yu-Jue; Chen, Yuan; Ding, Xuan; Guan, Zhi; He, Yan-Hong","Highly enantioselective electrosynthesis of C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2020","56","4","623","626","10.1039/c9cc09178e","","","1.54184","CuKα","","0.041","0.038","","","0.0969","0.0996","","","","","","1.052","","","","has coordinates","247547","2020-10-21","18:00:00",""
"7125907","10.0005","0.0001","15.089","0.0001","23.6172","0.0002","90","","90","","90","","3563.78","0.05","278","30","278","30","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17.27 Cl N O2 -","- C20 H17.2735 Cl N O2 -","- C160 H138.188 Cl8 N8 O16 -","8","2","","Lu, Fo-Yun; Chen, Yu-Jue; Chen, Yuan; Ding, Xuan; Guan, Zhi; He, Yan-Hong","Highly enantioselective electrosynthesis of C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2020","56","4","623","626","10.1039/c9cc09178e","","x-ray","1.54184","CuKα","","0.0395","0.0376","","","0.1011","0.1034","","","","","","1.05","","","","has coordinates,has disorder","247547","2020-10-21","18:00:00",""
"7125908","20.51","0.006","12.667","0.004","26.498","0.007","90","","108.671","0.004","90","","6522","3","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.96 H95.17 Br0.76 Mg2 O12 -","- C65.968 H90.21 Br0.758 Mg2 O12 -","- C263.872 H360.84 Br3.032 Mg8 O48 -","4","0.5","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1399","0.0876","","","0.2462","0.2869","","","","","","1.044","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125909","40.636","0.004","12.2639","0.001","36.165","0.003","90","","113.845","0.003","90","","16485","3","150","2","149.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C186 H228 O33 -","- C186 H198.874 O33 -","- C744 H795.496 O132 -","4","0.5","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1722","0.1147","","","0.3159","0.373","","","","","","1.13","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125910","13.565","0.003","12.45","0.003","20.554","0.004","90","","107.915","0.003","90","","3302.9","1.3","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67.57 H98.78 Br0.36 Mg2 O12 -","- C67.568 H95.494 Br0.358 Mg2 O12 -","- C135.136 H190.988 Br0.716 Mg4 O24 -","2","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.0996","0.0768","","","0.2181","0.2354","","","","","","1.059","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125911","11.959","0.008","13.536","0.009","22.775","0.013","75.943","0.017","88.27","0.02","73.195","0.016","3420","4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C72.34 H107.54 Br0.14 Mg2 O12 -","- C72.335 H107.537 Br0.133 Mg2 O12 -","- C144.67 H215.074 Br0.266 Mg4 O24 -","2","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.0815","0.0656","","","0.1697","0.1826","","","","","","1.037","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125912","14.01","0.0007","17.806","0.0009","25.7096","0.0013","95.703","0.002","103.75","0.002","102.801","0.002","5996.2","0.5","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C251.55 H351.03 Br0.06 Mg4 O44 -","- C251.548 H351.031 Br0.0646 Mg4 O44 -","- C251.548 H351.031 Br0.0646 Mg4 O44 -","1","0.5","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1076","0.0772","","","0.2101","0.2366","","","","","","1.035","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125913","13.392","0.004","21.18","0.006","23.936","0.007","90","","96.985","0.004","90","","6739","3","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H101 Mg2 O12 -","- C69 H101 Mg2 O12 -","- C276 H404 Mg8 O48 -","4","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1677","0.0976","","","0.2524","0.3098","","","","","","1.029","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125914","11.973","0.005","26.293","0.012","39.008","0.017","90","","97.456","0.012","90","","12176","9","158","2","158.58","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H165 Br2 Mg2 O24 -","- C122 H157.224 Br2 Mg2 O24 -","- C488 H628.896 Br8 Mg8 O96 -","4","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1591","0.1035","","","0.2816","0.3414","","","","","","1.014","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125915","11.3981","0.0007","11.3981","0.0007","11.3981","0.0007","90","","90","","90","","1480.8","0.16","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 Ce N11 O0 S7 -","- C38.9984 Ce N11.0016 S7.0016 -","- C38.9984 Ce N11.0016 S7.0016 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.056","0.056","","","0.159","0.159","","","","","","1.076","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125916","11.3929","0.0017","11.3929","0.0017","22.386","0.003","90","","90","","90","","2905.7","0.7","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Lu N11 O0 S7 -","- C39 Lu N11 S7 -","- C78 Lu2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0374","0.0374","","","0.1088","0.1088","","","","","","1.141","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125917","11.418","0.002","11.418","0.002","22.504","0.004","90","","90","","90","","2933.9","0.9","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Gd N11 O S7 -","- C39 Gd N11 O S7 -","- C78 Gd2 N22 O2 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0655","0.0647","","","0.1727","0.1738","","","","","","1.295","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125918","11.4242","0.0009","11.4242","0.0009","11.4242","0.0009","90","","90","","90","","1491","0.2","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 N11 O0 Pr S7 -","- C38.9968 N11 Pr S7 -","- C38.9968 N11 Pr S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0514","0.0514","","","0.1448","0.1448","","","","","","1.022","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125919","11.3933","0.0006","11.3933","0.0006","22.4759","0.0012","90","","90","","90","","2917.5","0.3","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 N11 O0 S7 Tb -","- C39 N11 S7 Tb -","- C78 N22 S14 Tb2 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0469","0.0466","","","0.1344","0.1349","","","","","","1.043","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125920","11.3876","0.0005","11.3876","0.0005","22.5539","0.0011","90","","90","","90","","2924.7","0.2","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C39 H0 Eu N11 S7 -","- C39 Eu N11 S7 -","- C78 Eu2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0544","0.0533","","","0.1489","0.1513","","","","","","1.063","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125921","11.4263","0.0005","11.4263","0.0005","11.4263","0.0005","90","","90","","90","","1491.82","0.11","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 La N11 O0 S7 -","- C38.9968 La N11 S7 -","- C38.9968 La N11 S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0533","0.0533","","","0.1469","0.1469","","","","","","1.148","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125922","11.3641","0.0018","11.3641","0.0018","11.3641","0.0018","90","","90","","90","","1467.6","0.4","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C39 Am N11 S7 -","- C38.9992 Am N11 S7 -","- C38.9992 Am N11 S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0446","0.0434","","","0.1121","0.1127","","","","","","1.087","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125923","11.3976","0.0004","11.3976","0.0004","11.3976","0.0004","90","","90","","90","","1480.61","0.09","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 N11 Nd O0 S7 -","- C38.9968 N11 Nd S7 -","- C38.9968 N11 Nd S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0502","0.0502","","","0.1414","0.1414","","","","","","0.973","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125924","11.4039","0.0004","11.4039","0.0004","22.5714","0.0008","90","","90","","90","","2935.39","0.18","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Ho N11 O0 S7 -","- C39 Ho N11 S7 -","- C78 Ho2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0398","0.0398","","","0.1151","0.1151","","","","","","0.987","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125925","11.3875","0.001","11.3875","0.001","22.478","0.002","90","","90","","90","","2914.8","0.4","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 N11 O0 S7 Tm -","- C39 N11 S7 Tm -","- C78 N22 S14 Tm2 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0391","0.039","","","0.1132","0.1134","","","","","","1.042","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125926","11.4134","0.0006","11.4134","0.0006","22.6144","0.0011","90","","90","","90","","2945.9","0.3","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Dy N11 O0 S7 -","- C39 Dy N11 S7 -","- C78 Dy2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0393","0.0393","","","0.1132","0.1132","","","","","","1.036","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125927","11.4093","0.0006","11.4093","0.0006","22.577","0.0011","90","","90","","90","","2938.9","0.3","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Er N11 O0 S7 -","- C39 Er N11 S7 -","- C78 Er2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0398","0.0397","","","0.1143","0.1145","","","","","","1.095","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125928","11.3772","0.0006","11.3772","0.0006","11.3772","0.0006","90","","90","","90","","1472.67","0.13","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 N11 O0 S7 Sm -","- C38.9968 N11 S7 Sm -","- C38.9968 N11 S7 Sm -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0392","0.0392","","","0.1136","0.1136","","","","","","1.043","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125929","11.3736","0.0004","11.3736","0.0004","22.495","0.0008","90","","90","","90","","2909.93","0.18","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 N11 O0 S7 Yb -","- C39 N11 S7 Yb -","- C78 N22 S14 Yb2 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0446","0.0446","","","0.1261","0.1261","","","","","","1.11","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125930","11.3752","0.0011","11.3752","0.0011","11.3752","0.0011","90","","90","","90","","1471.9","0.2","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 Cm N11 O3 S7 -","- C39.0008 Cm N11.0016 O3 S7.0016 -","- C39.0008 Cm N11.0016 O3 S7.0016 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0435","0.0435","","","0.15","0.15","","","","","","1.476","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125931","10.02302","0.00017","22.8571","0.0004","15.9505","0.0003","90","","91.5838","0.0017","90","","3652.82","0.11","109.5","0.7","109.5","0.7","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H80 B2 F4 I4 N4 O23 V6 -","- C58 H80 B2 F4 I4 N6 O23 V6 -","- C116 H160 B4 F8 I8 N12 O46 V12 -","2","1","","Gu, Yaqi; Li, Qi; Huang, Yichao; Zhu, Yingting; Wei, Yongge; Ruhlmann, Laurent","Polyoxovanadate-iodobodipy supramolecular assemblies: new agents for high efficiency cancer photochemotherapy.","Chemical communications (Cambridge, England)","2020","56","19","2869","2872","10.1039/c9cc09944a","","x-ray","1.54184","CuKα","","0.0792","0.0693","","","0.193","0.2118","","","","","","0.895","","","","has coordinates,has disorder","250179","2020-10-21","18:00:00",""
"7125932","18.6651","0.0005","9.1102","0.0003","18.3035","0.0005","90","","108.224","0.001","90","","2956.26","0.15","170","2","169.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 O5 S2 -","- C38 H26 O5 S2 -","- C152 H104 O20 S8 -","4","0.5","","Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang","Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","20","3093","3096","10.1039/c9cc09984k","","","0.71073","MoKα","","0.064","0.0471","","","0.1245","0.1394","","","","","","1.034","","","","has coordinates,has disorder","250187","2020-10-21","18:00:00",""
"7125933","6.914","0.004","10.6","0.008","13.029","0.01","99.77","0.03","96.31","0.02","92.38","0.04","933.6","1.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N2 O7 -","- C21 H14 N2 O7 -","- C42 H28 N4 O14 -","2","1","","Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang","Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","20","3093","3096","10.1039/c9cc09984k","","","0.71073","MoKα","","0.0761","0.0582","","","0.1572","0.1752","","","","","","1.106","","","","has coordinates,has disorder","250187","2020-10-21","18:00:00",""
"7125934","11.02","0.002","11.052","0.002","16.364","0.003","106.83","0.016","104.08","0.016","100.237","0.015","1783","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O5 -","- C21 H15 N O5 -","- C84 H60 N4 O20 -","4","2","","Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang","Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","20","3093","3096","10.1039/c9cc09984k","","","0.71073","MoKα","","0.0835","0.0526","","","0.1258","0.1532","","","","","","1.036","","","","has coordinates","250187","2020-10-21","18:00:00",""
"7125935","20.126","0.004","7.6043","0.0004","19.1043","0.0019","90","","114.182","0.01","90","","2667.2","0.6","293","2","293","2","","","","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","","2-((5-methyl-1H-indol-3-yl)methyl)aniline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Roy, Subhra Kanti; Purkait, Anisha; Aziz, Sk Md Tarik; Jana, Chandan K.","Acid mediated coupling of aliphatic amines and nitrosoarenes to indoles.","Chemical communications (Cambridge, England)","2020","56","21","3167","3170","10.1039/c9cc09616g","","x-ray","0.71073","MoKα","","0.0861","0.0559","","","0.1357","0.1603","","","","","","1.076","","","","has coordinates","250206","2020-10-21","18:00:00",""
"7125936","20.3252","0.0011","17.4919","0.0013","7.6118","0.0003","90","","90","","90","","2706.2","0.3","293","2","293","2","","","","","","","synthesis","3","P c c n","-P 2ab 2ac","56","","2-((1H-indol-3-yl)methyl)aniline","","- C15 H14 N2 -","- C15 H14 N2 -","- C120 H112 N16 -","8","1","","Roy, Subhra Kanti; Purkait, Anisha; Aziz, Sk Md Tarik; Jana, Chandan K.","Acid mediated coupling of aliphatic amines and nitrosoarenes to indoles.","Chemical communications (Cambridge, England)","2020","56","21","3167","3170","10.1039/c9cc09616g","","x-ray","0.71073","MoKα","","0.1657","0.1227","","","0.3538","0.3975","","","","","","1.346","","","","has coordinates","250206","2020-10-21","18:00:00",""
"7125937","7.6085","0.001","18.276","0.003","18.693","0.002","90","","90","","90","","2599.3","0.6","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","1","","Wang, Wen-Li; Liu, Xiao-Qin; Zhang, Mei-Hui; Lin, Bin; Zhu, Dong-Rong; Li, Ling-Nan; Chen, Chen; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taxodisones A and B: bioactive C<sub>30</sub>-terpenes with new skeletons from Taxodium distichum and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","22","3329","3332","10.1039/c9cc09433d","","","1.54184","CuKα","","0.034","0.0316","","","0.0851","0.087","","","","","","1.022","","","","has coordinates","250165","2020-10-21","18:00:00",""
"7125938","10.264","0.0003","12.5469","0.0003","20.5284","0.0005","90","","101.807","0.001","90","","2587.74","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","2","","Wang, Wen-Li; Liu, Xiao-Qin; Zhang, Mei-Hui; Lin, Bin; Zhu, Dong-Rong; Li, Ling-Nan; Chen, Chen; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taxodisones A and B: bioactive C<sub>30</sub>-terpenes with new skeletons from Taxodium distichum and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","22","3329","3332","10.1039/c9cc09433d","","","1.54184","CuKα","","0.0363","0.0333","","","0.0854","0.092","","","","","","1.036","","","","has coordinates","250165","2020-10-21","18:00:00",""
"7125939","15.8112","0.0015","18.2465","0.0018","23.607","0.002","78.927","0.003","87.544","0.003","81.311","0.003","6606.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 Cl2 Cr2 F10 N4 -","- C76 H74 Cl2 Cr2 F10 N4 -","- C304 H296 Cl8 Cr8 F40 N16 -","4","2","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1592","0.0664","","","0.1452","0.1872","","","","","","1.031","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125940","11.3653","0.0004","17.4031","0.0007","21.1322","0.0005","93.966","0.003","102.004","0.002","96.269","0.003","4045.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H50 Cr F8 N2 O5 S -","- C44 H50 Cr F8 N2 O5 S -","- C176 H200 Cr4 F32 N8 O20 S4 -","4","2","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","1.54184","CuKα","","0.1136","0.071","","","0.1757","0.2022","","","","","","1.026","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125941","11.4314","0.0004","13.7772","0.0005","15.3492","0.0006","104.593","0.002","91.816","0.002","93.766","0.003","2331.44","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H67 Cr F5 N3 O -","- C54 H67 Cr F5 N3 O -","- C108 H134 Cr2 F10 N6 O2 -","2","1","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","1.54178","CuKα","","0.0734","0.0573","","","0.1448","0.1596","","","","","","1.029","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125942","15.3902","0.0008","22.0785","0.0008","29.9364","0.0015","90","","90","","90","","10172.2","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H70 Cr F5 N4 -","- C59 H70 Cr F5 N4 -","- C472 H560 Cr8 F40 N32 -","8","1","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1414","0.0697","","","0.132","0.1586","","","","","","1.017","","","","has coordinates","250204","2020-10-21","18:00:00",""
"7125943","18.229","0.003","20.427","0.003","10.3857","0.0018","90","","105.421","0.004","90","","3728","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl Cr F5 N3 -","- C44 H45 Cl Cr F5 N3 -","- C176 H180 Cl4 Cr4 F20 N12 -","4","1","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.2209","0.0965","","","0.1238","0.1538","","","","","","1.044","","","","has coordinates","250204","2020-10-21","18:00:00",""
"7125944","17.0256","0.0012","17.8637","0.0013","17.9461","0.0012","90","","112.061","0.002","90","","5058.5","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H53 Cr F8 N3 O4 S -","- C49 H53 Cr F8 N3 O4 S -","- C196 H212 Cr4 F32 N12 O16 S4 -","4","2","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1309","0.0671","","","0.1373","0.1661","","","","","","1.018","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125945","26.739","0.005","26.793","0.005","29.537","0.006","64.09","0.03","77.3","0.03","86.34","0.03","18556","8","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C360 H312 N58 O90 Pd6 S12 -","- C360 H312 N58 O90 Pd6 S12 -","- C360 H312 N58 O90 Pd6 S12 -","1","0.5","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.8","synchrotron","","0.1503","0.1122","","","0.3608","0.3831","","","","","","1.341","","","","has coordinates","250180","2020-10-21","18:00:00",""
"7125946","29.802","0.004","29.802","0.004","68.496","0.014","90","","90","","120","","52685","15","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C396 H378 N48 O78 Pd6 S12 -","- C396 H378 N48 O78 Pd6 S12 -","- C1188 H1134 N144 O234 Pd18 S36 -","3","0.166667","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.9","synchrotron","","0.2036","0.1499","","","0.4205","0.4504","","","","","","1.852","","","","has coordinates,has disorder","250180","2020-10-21","18:00:00",""
"7125947","35.325","0.005","35.325","0.005","49.962","0.01","90","","90","","90","","62345","18","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H240 N48 O48 Pd6 -","- C336 H240 N48 O48 Pd6 -","- C672 H480 N96 O96 Pd12 -","2","0.125","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.75","synchrotron","","0.3047","0.1517","","","0.3986","0.4698","","","","","","0.955","","","","has coordinates","250180","2020-10-21","18:00:00",""
"7125948","29.879","0.004","29.879","0.004","68.309","0.014","90","","90","","120","","52813","15","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C420 H426 N48 O78 Pd6 S12 -","- C420 H426 N48 O78 Pd6 S12 -","- C1260 H1278 N144 O234 Pd18 S36 -","3","0.166667","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.75","synchrotron","","0.2257","0.1295","","","0.3671","0.4149","","","","","","1.122","","","","has coordinates","250180","2020-10-21","18:00:00",""
"7125949","6.5511","0.0011","6.9192","0.0012","8.0265","0.0017","93.73","0.001","102.78","0.001","91.769","0.001","353.68","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Methylphenyl)formamide","","- C8 H9 N O -","- C8 H9 N O -","- C16 H18 N2 O2 -","2","1","","Zhai, Shengxian; Zhang, Xinping; Cheng, Bin; Li, Hui; Li, Yuntong; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of tetrasubstituted thiophenes via a [3+2] cascade cyclization reaction of pyridinium 1,4-zwitterionic thiolates and activated allenes.","Chemical communications (Cambridge, England)","2020","56","20","3085","3088","10.1039/d0cc00262c","","","0.71073","MoKα","","0.0713","0.0464","","","0.1189","0.1273","","","","","","0.902","","","","has coordinates","250186","2020-10-21","18:00:00",""
"7125950","18.903","0.004","7.1434","0.0016","14.656","0.003","90","","100.898","0.004","90","","1943.3","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O5 S -","- C22 H16 O5 S -","- C88 H64 O20 S4 -","4","1","","Zhai, Shengxian; Zhang, Xinping; Cheng, Bin; Li, Hui; Li, Yuntong; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of tetrasubstituted thiophenes via a [3+2] cascade cyclization reaction of pyridinium 1,4-zwitterionic thiolates and activated allenes.","Chemical communications (Cambridge, England)","2020","56","20","3085","3088","10.1039/d0cc00262c","","","0.71073","MoKα","","0.1075","0.078","","","0.2272","0.2553","","","","","","1.018","","","","has coordinates","250186","2020-10-21","18:00:00",""
"7125951","16.371","0.0006","10.3034","0.0005","17.1373","0.0006","90","","94.539","0.004","90","","2881.6","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 B Br Cl2 N6 O2 W -","- C25 H28 B Br Cl2 N6 O2 W -","- C100 H112 B4 Br4 Cl8 N24 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","0.71073","MoKα","","0.0474","0.0384","","","0.094","0.0999","","","","","","1.065","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125952","13.8341","0.0004","10.1106","0.0003","20.5773","0.0006","90","","106.771","0.003","90","","2755.75","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 B2 N12 O4 W2 -","- C50 H52 B2 N12 O4 W2 -","- C100 H104 B4 N24 O8 W4 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.05","0.035","","","0.0785","0.085","","","","","","0.984","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125953","13.2449","0.0008","18.7892","0.0006","16.1898","0.0007","90","","107.336","0.006","90","","3846","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H108 B2 N12 O4 W2 -","- C72 H108 B2 N12 O4 W2 -","- C144 H216 B4 N24 O8 W4 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0639","0.0485","","","0.1161","0.1246","","","","","","1.04","","","","has coordinates,has disorder","250159","2020-10-21","18:00:00",""
"7125954","10.2667","0.0004","23.1598","0.0012","13.5771","0.0006","90","","92.406","0.004","90","","3225.4","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 B N7 O2 W -","- C34 H34 B N7 O2 W -","- C136 H136 B4 N28 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","0.71073","MoKα","","0.0504","0.0432","","","0.0776","0.0802","","","","","","1.172","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125955","37.593","0.0003","10.4555","0.0001","32.1962","0.0003","90","","96.483","0.001","90","","12573.9","0.2","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C32.5 H32 B Cl N6 O2 W -","- C32.5 H32 B Cl N6 O2 W -","- C520 H512 B16 Cl16 N96 O32 W16 -","16","2","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0315","0.0295","","","0.0718","0.0732","","","","","","1.08","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125956","7.9501","0.0001","17.9153","0.0003","19.455","0.0002","90","","100.437","0.001","90","","2725.1","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 B N6 O2 W -","- C28 H29 B N6 O2 W -","- C112 H116 B4 N24 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0317","0.0294","","","0.0745","0.0765","","","","","","1.074","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125957","7.9431","0.0004","17.7548","0.0008","19.9617","0.0009","90","","99.821","0.004","90","","2773.9","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B N6 O2 W -","- C28 H29 B N6 O2 W -","- C112 H116 B4 N24 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0679","0.0589","","","0.1409","0.1476","","","","","","1.117","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125958","23.8078","0.0008","25.26","0.0006","25.4589","0.0009","90","","114.84","0.004","90","","13894.1","0.9","150","0.1","150","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C106 H130 B4 N24 O8 W4 -","- C106 H130 B4 N24 O8 W4 -","- C424 H520 B16 N96 O32 W16 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0642","0.0523","","","0.1385","0.1497","","","","","","1.026","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125959","14.1626","0.0003","36.3631","0.0007","14.8716","0.0003","90","","90.019","0.002","90","","7658.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H69 B3 N18 O6 W3 -","- C60 H69 B3 N18 O6 W3 -","- C240 H276 B12 N72 O24 W12 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0706","0.0546","","","0.141","0.1535","","","","","","1.016","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125960","14.844","0.008","9.534","0.005","16.867","0.008","90","","90","","90","","2387","2","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H32 N4 -","- C26 H32 N4 -","- C104 H128 N16 -","4","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.1364","0.0712","","","0.1479","0.1747","","","","","","1.029","","","","has coordinates","250157","2020-10-21","18:00:00",""
"7125961","18.399","0.002","14.6911","0.0016","15.7048","0.0016","90","","103.277","0.003","90","","4131.6","0.8","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 N4 Na O4 -","- C42 H64 N4 Na O4 -","- C168 H256 N16 Na4 O16 -","4","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.0901","0.0666","","","0.1712","0.1903","","","","","","1.026","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125962","18.731","0.004","15.129","0.003","15.467","0.003","90","","104.882","0.004","90","","4236","1.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 K N4 O4 -","- C42 H63.998 K N4 O4 -","- C168 H255.992 K4 N16 O16 -","4","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.107","0.077","","","0.1914","0.215","","","","","","1","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125963","13.5116","0.0006","14.2386","0.0008","17.4578","0.0008","84.41","0.002","68.71","0.001","86.045","0.002","3112.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H184 K4 N8 O27 -","- C112 H184 K4 N8 O27 -","- C112 H184 K4 N8 O27 -","1","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.0979","0.0741","","","0.1917","0.2123","","","","","","1.017","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125964","12.996","0.0006","26.8623","0.0014","22.322","0.0011","90","","101.922","0.003","90","","7624.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 K2 N4 O19 -","- C64 H104 K2 N4 O19 -","- C256 H416 K8 N16 O76 -","4","1","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","1.34139","GaKα","","0.0956","0.0725","","","0.1474","0.157","","","","","","1.094","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125965","49.267","0.004","14.9082","0.0012","39.726","0.003","90","","100.616","0.004","90","","28679","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H191.2 N24 O74.1 P6 -","- C79 H151 N24 O74.1 P6 -","- C632 H1208 N192 O592.8 P48 -","8","1","","Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Supramolecular traps for highly phosphorylated inositol sources of phosphorus.","Chemical communications (Cambridge, England)","2020","56","22","3269","3272","10.1039/c9cc09321d","","","1.54178","CuKα","","0.1601","0.1185","","","0.3241","0.3657","","","","","","1.054","","","","has coordinates","250166","2020-10-21","18:00:00",""
"7125966","18.3819","0.0008","18.3819","0.0008","35.5789","0.0018","90","","90","","120","","10411.3","0.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C82 H171.4 N26 O59.6 P6 -","- C82 H120 N26 O59.6 P6 -","- C246 H360 N78 O178.8 P18 -","3","0.166667","","Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Supramolecular traps for highly phosphorylated inositol sources of phosphorus.","Chemical communications (Cambridge, England)","2020","56","22","3269","3272","10.1039/c9cc09321d","","","1.54178","CuKα","","0.2191","0.1584","","","0.3512","0.3915","","","","","","1.064","","","","has coordinates","250166","2020-10-21","18:00:00",""
"7125967","10.6732","0.0006","12.999","0.0008","16.3255","0.001","75.5241","0.0012","85.8338","0.0013","71.3608","0.0013","2078","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H56 N12 O10 -","- C36 H56 N12 O10 -","- C72 H112 N24 O20 -","2","1","","Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Supramolecular traps for highly phosphorylated inositol sources of phosphorus.","Chemical communications (Cambridge, England)","2020","56","22","3269","3272","10.1039/c9cc09321d","","","1.54178","CuKα","","0.037","0.0354","","","0.0927","0.0943","","","","","","1.021","","","","has coordinates","250166","2020-10-21","18:00:00",""
"7125968","10.3306","0.0004","12.1908","0.0006","16.1323","0.0006","92.418","0.004","107.283","0.004","91.169","0.004","1937.06","0.15","100.01","0.11","100.01","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","x-ray","1.54184","CuKα","","0.0802","0.0756","","","0.2063","0.2085","","","","","","1.089","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125969","10.8822","0.0002","12.4297","0.0002","16.2388","0.0003","96.008","0.002","108.765","0.002","90.917","0.002","2065.44","0.07","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0335","0.0316","","","0.0879","0.0894","","","","","","1.039","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125970","10.3986","0.0003","30.8174","0.0008","12.2534","0.0003","90","","91.742","0.002","90","","3924.88","0.18","250","0.1","250","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C200 H100 Cu20 N40 -","2","0.25","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","x-ray","1.54184","CuKα","","0.0472","0.0447","","","0.1301","0.1323","","","","","","1.084","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125971","10.8776","0.0002","12.4524","0.0001","16.2822","0.0002","95.7","0.001","108.748","0.001","91.392","0.001","2074.41","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0341","0.0338","","","0.094","0.0943","","","","","","1.046","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125972","10.3877","0.0002","12.2263","0.0003","16.1951","0.0004","90.741","0.002","107.985","0.002","91.592","0.002","1955.07","0.08","199.99","0.1","199.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","x-ray","1.54184","CuKα","","0.0892","0.0814","","","0.2228","0.229","","","","","","1.051","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125973","16.3006","0.0003","16.5127","0.0003","16.5388","0.0002","98.05","0.001","98.473","0.001","108.223","0.002","4099.39","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C220 H100 Cu20 N40 -","2","1","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.03","0.0283","","","0.0804","0.0816","","","","","","1.045","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125974","10.4531","0.0002","30.8052","0.0006","12.2818","0.0002","90","","91.966","0.002","90","","3952.53","0.13","300","2","300","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C200 H100 Cu20 N40 -","2","0.25","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0308","0.0287","","","0.0842","0.0856","","","","","","1.088","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125975","16.2846","0.0002","16.3744","0.0001","16.5641","0.0001","98.035","0.001","98.566","0.001","108.306","0.001","4063.83","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C220 H100 Cu20 N40 -","2","1","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0292","0.0284","","","0.0761","0.0767","","","","","","1.093","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125976","19.429","0.004","19.429","0.004","12.057","0.002","90","","90","","90","","4551.3","1.5","180","2","180","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C90 H82 F24 N18 P4 -","- C70 H52 F24 N8 P4 -","- C140 H104 F48 N16 P8 -","2","0.25","","Nian, Hao; Li, Aisen; Li, Yawen; Cheng, Lin; Wang, Ling; Xu, Weiqing; Cao, Liping","Tetraphenylethene-based tetracationic dicyclophanes: synthesis, mechanochromic luminescence, and photochemical reactions.","Chemical communications (Cambridge, England)","2020","56","21","3195","3198","10.1039/d0cc00860e","","","1.34138","GaKα","","0.056","0.0454","","","0.1378","0.142","","","","","","1.055","","","","has coordinates","250208","2020-10-21","18:00:00",""
"7125977","11.8059","0.0014","14.764","0.002","19.268","0.002","78.553","0.005","73.274","0.004","75","0.005","3078.7","0.6","114","2","114","2","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H74 Cl4 N8 O7.5 -","- C60 H68 Cl4 N8 O6 -","- C120 H136 Cl8 N16 O12 -","2","1","","Nian, Hao; Li, Aisen; Li, Yawen; Cheng, Lin; Wang, Ling; Xu, Weiqing; Cao, Liping","Tetraphenylethene-based tetracationic dicyclophanes: synthesis, mechanochromic luminescence, and photochemical reactions.","Chemical communications (Cambridge, England)","2020","56","21","3195","3198","10.1039/d0cc00860e","","","0.71073","MoKα","","0.1066","0.0725","","","0.1814","0.2024","","","","","","1.053","","","","has coordinates,has disorder","250208","2020-10-21","18:00:00",""
"7125978","28.876","0.002","28.876","0.002","11.5084","0.0011","90","","90","","90","","9596","1.3","192","2","192","2","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C61 H92 F6 Fe N4 O12 S2 -","- C61 H92 F6 Fe N4 O12 S2 -","- C244 H368 F24 Fe4 N16 O48 S8 -","4","0.5","","Wang, Fang; Feng, Lili; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N'-dioxide-iron(iii)-catalyzed asymmetric sulfoxidation with hydrogen peroxide.","Chemical communications (Cambridge, England)","2020","56","21","3233","3236","10.1039/d0cc00434k","","","0.71073","MoKα","","0.1214","0.086","","","0.2178","0.2327","","","","","","1.012","","","","has coordinates","250205","2020-10-21","18:00:00",""
"7125979","9.8426","0.0007","12.5393","0.0009","16.1571","0.0015","75.374","0.007","79.253","0.007","72.06","0.007","1822.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H44.5 Br Cr N4 O14.25 -","- C27.5 H44.5 Br Cr N4 O14.25 -","- C55 H89 Br2 Cr2 N8 O28.5 -","2","1","","Ruan, Wenqing; Mao, Jiatao; Yang, Shida; Shi, Chuan; Jia, Guochen; Chen, Qing","Designing Cr complexes for a neutral Fe-Cr redox flow battery.","Chemical communications (Cambridge, England)","2020","56","21","3171","3174","10.1039/c9cc09704j","","x-ray","1.54184","CuKα","","0.0634","0.0561","","","0.1484","0.1552","","","","","","1.026","","","","has coordinates,has disorder","250210","2020-10-21","18:00:00",""
"7125980","6.803","0.002","7.008","0.002","9.588","0.003","90","","92.96","0.004","90","","456.5","0.2","153","","153","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- B4 Ba F6 H4 O6 -","- B4 Ba F6 H4 O6 -","- B8 Ba2 F12 H8 O12 -","2","0.25","","Gai, Minqiang; Wang, Ying; Tong, Tinghao; Wang, Liying; Yang, Zhihua; Zhou, Xin; Pan, Shilie","Ba(B<sub>2</sub>OF<sub>3</sub>(OH)<sub>2</sub>)<sub>2</sub> with well-ordered OH/F anions and a unique B<sub>2</sub>OF<sub>3</sub>(OH)<sub>2</sub> dimer.","Chemical communications (Cambridge, England)","2020","56","22","3301","3304","10.1039/c9cc06532f","","","0.71073","MoKα","","0.0144","0.0144","","","0.0334","0.0334","","","","","","0.98","","","","has coordinates","250164","2020-10-21","18:00:00",""
"7125981","10.313","0.0003","14.7947","0.0004","15.8422","0.0004","90","","90","","90","","2417.17","0.11","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C120 H92 N12 O8 S4 -","4","1","","Ni, Qijian; Wang, Xuyang; Xu, Fangfang; Chen, Xiaoyun; Song, Xiaoxiao","Organocatalytic asymmetric [4+2] cyclization of 2-benzothiazolimines with azlactones: access to chiral benzothiazolopyrimidine derivatives.","Chemical communications (Cambridge, England)","2020","56","21","3155","3158","10.1039/d0cc00736f","","","0.71073","MoKα","","0.0532","0.0385","","","0.0918","0.1019","","","","","","1.053","","","","has coordinates","250203","2020-10-21","18:00:00",""
"7125982","11.0699","0.0004","23.359","0.0009","16.6594","0.0006","90","","96.992","0.002","90","","4275.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ICB68","","- C21 H23 Cl F3 N5 O -","- C21 H23 Cl F3 N5 O -","- C168 H184 Cl8 F24 N40 O8 -","8","2","","Carreira-Barral, Israel; Mielczarek, Marcin; Alonso-Carrillo, Daniel; Capurro, Valeria; Soto-Cerrato, Vanessa; Pérez Tomás, Ricardo; Caci, Emanuela; García-Valverde, María; Quesada, Roberto","Click-tambjamines as efficient and tunable bioactive anion transporters.","Chemical communications (Cambridge, England)","2020","56","21","3218","3221","10.1039/d0cc00643b","","","1.54178","CuKα","","0.0733","0.0532","","","0.1427","0.1593","","","","","","1.037","","","","has coordinates","250200","2020-10-21","18:00:00",""
"7125983","7.9219","0.0002","9.5881","0.0002","19.0533","0.0005","99.49","0.0012","91.0584","0.0012","110.626","0.0011","1331.31","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","MM34","","- C24 H35 Cl2 N5 O3 -","- C24 H35 Cl2 N5 O3 -","- C48 H70 Cl4 N10 O6 -","2","1","","Carreira-Barral, Israel; Mielczarek, Marcin; Alonso-Carrillo, Daniel; Capurro, Valeria; Soto-Cerrato, Vanessa; Pérez Tomás, Ricardo; Caci, Emanuela; García-Valverde, María; Quesada, Roberto","Click-tambjamines as efficient and tunable bioactive anion transporters.","Chemical communications (Cambridge, England)","2020","56","21","3218","3221","10.1039/d0cc00643b","","","1.54178","CuKα","","0.0417","0.0356","","","0.0831","0.0869","","","","","","1.061","","","","has coordinates","250200","2020-10-21","18:00:00",""
"7125984","5.7035","0.0014","20.182","0.005","15.891","0.004","90","","96.478","0.004","90","","1817.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MM75","","- C17 H17 Cl2 N5 O -","- C17 H17 Cl2 N5 O -","- C68 H68 Cl8 N20 O4 -","4","1","","Carreira-Barral, Israel; Mielczarek, Marcin; Alonso-Carrillo, Daniel; Capurro, Valeria; Soto-Cerrato, Vanessa; Pérez Tomás, Ricardo; Caci, Emanuela; García-Valverde, María; Quesada, Roberto","Click-tambjamines as efficient and tunable bioactive anion transporters.","Chemical communications (Cambridge, England)","2020","56","21","3218","3221","10.1039/d0cc00643b","","","0.71073","MoKα","","0.0745","0.0517","","","0.1459","0.1537","","","","","","1.023","","","","has coordinates","250200","2020-10-21","18:00:00",""
"7125985","9.026","0.002","11.173","0.002","23.919","0.005","90","","90","","90","","2412.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Lunjian; Niu, Yongsheng; Yu, Youzhu; Yang, Bo; Zhang, Beining; Han, Chuchu; Yang, Liguo; Zhai, Hongbin","Synthesis of cyclobutane-fused oxygen-containing tricyclic framework via thermally promoted intramolecular cycloaddition of cyclohexadienone-tethered allenes.","Chemical communications (Cambridge, England)","2020","56","23","3405","3408","10.1039/d0cc00061b","","","0.71073","MoKα","","0.0493","0.0436","","","0.1162","0.1237","","","","","","1.053","","","","has coordinates","250195","2020-10-21","18:00:00",""
"7125986","15.3492","0.0016","13.4033","0.0012","11.3497","0.0012","90","","92.454","0.004","90","","2332.8","0.4","151","2","151.23","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 Se -","- C27 H29 N3 Se -","- C108 H116 N12 Se4 -","4","1","","Zhu, Li-Li; Tian, Lifang; Cai, Bin; Liu, Guanglu; Zhang, Hui; Wang, Yahui","Diamine-mediated N<sup>2</sup>-selective β-selenoalkylation of triazoles with alkenes.","Chemical communications (Cambridge, England)","2020","56","20","2979","2982","10.1039/d0cc00601g","","","0.71073","MoKα","","0.0694","0.0479","","","0.1107","0.1205","","","","","","1.063","","","","has coordinates","250188","2020-10-21","18:00:00",""
"7125987","11.6605","0.0012","5.8592","0.0007","13.2196","0.0013","90","","92.925","0.006","90","","902","0.17","152","2","151.67","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 Se -","- C20 H23 N3 Se -","- C40 H46 N6 Se2 -","2","1","","Zhu, Li-Li; Tian, Lifang; Cai, Bin; Liu, Guanglu; Zhang, Hui; Wang, Yahui","Diamine-mediated N<sup>2</sup>-selective β-selenoalkylation of triazoles with alkenes.","Chemical communications (Cambridge, England)","2020","56","20","2979","2982","10.1039/d0cc00601g","","","0.71073","MoKα","","0.0455","0.0337","","","0.065","0.0679","","","","","","1.074","","","","has coordinates","250188","2020-10-21","18:00:00",""
"7125988","14.61721","0.0001","17.96113","0.00012","27.42571","0.00018","90","","90","","90","","7200.39","0.08","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H42 F6 N4 O6 S2 -","- C29 H42 F6 N4 O6 S2 -","- C232 H336 F48 N32 O48 S16 -","8","1","","Barthes, Cécile; Duhayon, Carine; Canac, Yves; César, Vincent","N-Cyclopropenio-imidazol-2-ylidene: An N-heterocyclic carbene bearing an N-cationic substituent.","Chemical communications (Cambridge, England)","2020","56","22","3305","3308","10.1039/d0cc00477d","","","1.5418","CuKα","","0.0356","0.0348","","0.0353","0.035","0.0349","","","","","","1.1052","","","","has coordinates","250162","2020-10-21","18:00:00",""
"7125989","8.9948","0.0003","12.5902","0.0004","17.7787","0.0006","78.6427","0.0016","82.2769","0.0015","88.4754","0.0015","1956.04","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H47 Cl2 F3 N4 O3 Pd S -","- C31.5 H47 Cl2 F3 N4 O3 Pd S -","- C63 H94 Cl4 F6 N8 O6 Pd2 S2 -","2","1","","Barthes, Cécile; Duhayon, Carine; Canac, Yves; César, Vincent","N-Cyclopropenio-imidazol-2-ylidene: An N-heterocyclic carbene bearing an N-cationic substituent.","Chemical communications (Cambridge, England)","2020","56","22","3305","3308","10.1039/d0cc00477d","","","0.71073","MoKα","","0.0533","0.0517","","0.0615","0.0602","0.06","","","","","","1.0354","","","","has coordinates","250162","2020-10-21","18:00:00",""
"7125990","15.1363","0.0008","8.9448","0.0004","26.1314","0.0013","90","","103.763","0.0015","90","","3436.4","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Au Cl F3 N4 O3 S -","- C28 H41 Au Cl F3 N4 O3 S -","- C112 H164 Au4 Cl4 F12 N16 O12 S4 -","4","1","","Barthes, Cécile; Duhayon, Carine; Canac, Yves; César, Vincent","N-Cyclopropenio-imidazol-2-ylidene: An N-heterocyclic carbene bearing an N-cationic substituent.","Chemical communications (Cambridge, England)","2020","56","22","3305","3308","10.1039/d0cc00477d","","","0.71073","MoKα","","0.0192","0.0179","","0.0228","0.0212","0.0199","","","","","","1","","","","has coordinates","250162","2020-10-21","18:00:00",""
"7125991","21.948","0.002","8.33062","0.00019","20.7006","0.0008","90","","115.404","0.005","90","","3418.9","0.4","296","","296","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H28 Cl2 N6 Ni O8 S2 -","- C30 H28 Cl2 N6 Ni O8 S2 -","- C120 H112 Cl8 N24 Ni4 O32 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0356","0.0346","","","0.0932","0.0941","","","","","","1.06","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125992","8.9125","0.0003","12.1348","0.0005","12.2295","0.0005","67.774","0.004","69.928","0.003","87.213","0.003","1144.97","0.09","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cl2 N4 Ni S2 -","- C24 H16 Cl2 N4 Ni S2 -","- C48 H32 Cl4 N8 Ni2 S4 -","2","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0429","0.0348","","","0.0859","0.0917","","","","","","1.047","","","","has coordinates","250177","2020-10-21","18:00:00",""
"7125993","10.3997","0.0002","12.7078","0.0002","13.3086","0.0003","114.49","0.002","111.726","0.002","92.4482","0.0017","1446.31","0.06","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 F6 N4 Ni O S2 -","- C29 H22 F6 N4 Ni O S2 -","- C58 H44 F12 N8 Ni2 O2 S4 -","2","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0329","0.031","","","0.0861","0.088","","","","","","1.059","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125994","8.5516","0.0003","10.2011","0.0003","33.0145","0.0008","90","","90","","90","","2880.04","0.15","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl2 N4 Ni O8 S2 -","- C26 H24 Cl2 N4 Ni O8 S2 -","- C104 H96 Cl8 N16 Ni4 O32 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0554","0.0505","","","0.1228","0.1271","","","","","","1.043","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125995","11.3962","0.0004","18.9231","0.0004","12.9723","0.0004","90","","114.313","0.004","90","","2549.38","0.15","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N5 Ni O S2 -","- C27 H25 N5 Ni O S2 -","- C108 H100 N20 Ni4 O4 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0569","0.0446","","","0.1132","0.122","","","","","","1.065","","","","has coordinates","250177","2020-10-21","18:00:00",""
"7125996","10.1761","0.0003","12.4123","0.0004","19.1814","0.0005","96.674","0.002","91.868","0.002","96.713","0.003","2387.24","0.12","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 Cl6 Co N4 Ni S2 -","- C46 H50 Cl6 Co N4 Ni S2 -","- C92 H100 Cl12 Co2 N8 Ni2 S4 -","2","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71073","MoKα","","0.0527","0.0481","","","0.1256","0.13","","","","","","1.03","","","","has coordinates","250177","2020-10-21","18:00:00",""
"7125997","12.3345","0.0004","22.2711","0.0006","18.1248","0.0007","90","","109.54","0.004","90","","4692.2","0.3","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Cl4 Co N4 Ni S2 -","- C46 H52 Cl4 Co N4 Ni S2 -","- C184 H208 Cl16 Co4 N16 Ni4 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71073","MoKα","","0.0863","0.0767","","","0.2118","0.2248","","","","","","1.043","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125998","15.7754","0.0007","8.5582","0.0004","11.6197","0.0005","90","","107.162","0.001","90","","1498.91","0.12","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0533","0.0342","","","0.0695","0.0784","","","","","","1.042","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7125999","4.2743","0.0005","15.4368","0.0016","24.939","0.003","90","","90","","90","","1645.5","0.3","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.098","0.0513","","","0.0967","0.1169","","","","","","0.997","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126000","11.5591","0.0003","7.965","0.0002","17.2106","0.0005","90","","90","","90","","1584.55","0.07","170","","170","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0382","0.0314","","","0.0688","0.0722","","","","","","1.047","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126001","8.3242","0.0003","12.6129","0.0003","28.2407","0.0008","90","","90","","90","","2965.06","0.15","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C144 H112 Br8 N8 O16 -","8","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0632","0.0354","","","0.0689","0.081","","","","","","1.014","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126002","11.25978","0.00006","5.81649","0.00004","12.31963","0.00006","90","","94.0216","0.0005","90","","804.855","0.008","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C36 H36 F6 N2 O4 -","2","1","","Sun, Xi-Shang; Ou-Yang, Qiu; Xu, Shi-Ming; Wang, Xing-Heng; Tao, Hai-Yan; Chung, Lung Wa; Wang, Chun-Jiang","Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution.","Chemical communications (Cambridge, England)","2020","56","22","3333","3336","10.1039/d0cc00845a","","x-ray","1.54184","CuKα","","0.0248","0.0248","","","0.0665","0.0665","","","","","","1.083","","","","has coordinates","250158","2020-10-21","18:00:00",""
"7126003","5.7902","0.0001","8.6739","0.0001","32.4787","0.0004","90","","90","","90","","1631.2","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C72 H72 F12 N4 O8 -","4","1","","Sun, Xi-Shang; Ou-Yang, Qiu; Xu, Shi-Ming; Wang, Xing-Heng; Tao, Hai-Yan; Chung, Lung Wa; Wang, Chun-Jiang","Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution.","Chemical communications (Cambridge, England)","2020","56","22","3333","3336","10.1039/d0cc00845a","","x-ray","1.54184","CuKα","","0.0295","0.0284","","","0.0697","0.0703","","","","","","1.063","","","","has coordinates","250158","2020-10-21","18:00:00",""
"7126004","6.7878","0.0002","22.1588","0.0009","13.8692","0.0005","90","","96.581","0.002","90","","2072.31","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N2 O2 S -","- C22 H19 Cl N2 O2 S -","- C88 H76 Cl4 N8 O8 S4 -","4","1","","Zhang, Jun; Yang, Min; Liu, Jin-Biao; He, Fu-Sheng; Wu, Jie","A copper-catalyzed insertion of sulfur dioxide via radical coupling.","Chemical communications (Cambridge, England)","2020","56","21","3225","3228","10.1039/d0cc00375a","","","1.34138","GaKα","","0.0466","0.0412","","","0.113","0.1173","","","","","","1.063","","","","has coordinates","250209","2020-10-21","18:00:00",""
"7126005","7.1763","0.0001","28.9373","0.0004","7.067","0.0001","90","","92.186","0.001","90","","1466.48","0.04","130","0.2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","","1.5418","CuKα","","0.0498","0.047","","","0.1216","0.1236","","","","","","1.121","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126006","5.4911","0.0001","10.5173","0.0002","18.2619","0.0003","90","","90","","90","","1054.65","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C36 H36 N12 O20 -","4","1","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","x-ray","0.71073","MoKα","","0.0478","0.0378","","","0.0985","0.1032","","","","","","1.044","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126007","6.6674","0.0001","16.3925","0.0003","11.6108","0.0002","90","","101.031","0.001","90","","1245.56","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","2","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","x-ray","0.71073","MoKα","","0.0518","0.0409","","","0.1096","0.1153","","","","","","1.004","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126008","9.717","0.0004","10.2493","0.0005","15.4586","0.0009","85.283","0.004","75.672","0.004","66.463","0.004","1367.33","0.13","200","0.2","200","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H16 B F9 O2 -","- C33 H16 B F9 O2 -","- C66 H32 B2 F18 O4 -","2","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","x-ray","0.71073","MoKα","","0.078","0.0474","","","0.1307","0.1577","","","","","","0.949","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126009","7.8452","0.0004","10.557","0.0006","15.699","0.0009","71.33","0.005","75.721","0.005","84.401","0.004","1193.5","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 B F9 O4 -","- C23 H12 B F9 O4 -","- C46 H24 B2 F18 O8 -","2","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.0833","0.0642","","","0.1677","0.1849","","","","","","1.05","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126010","13.314","0.0016","10.1081","0.0014","18.044","0.003","90","","111.202","0.016","90","","2264","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H6 B F15 O4 -","- C23 H6 B F15 O4 -","- C92 H24 B4 F60 O16 -","4","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.148","0.0645","","","0.1215","0.1627","","","","","","1.032","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126011","9.0378","0.0008","17.4814","0.0012","14.4485","0.001","90","","96.721","0.007","90","","2267.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 B F9 O3 -","- C24 H14 B F9 O3 -","- C96 H56 B4 F36 O12 -","4","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.0984","0.061","","","0.1414","0.1613","","","","","","1.027","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126012","16.1557","0.0004","37.6672","0.0011","16.7091","0.0004","90","","104.564","0.003","90","","9841.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H15 B F15 I O2 -","- C32 H15 B F15 I O2 -","- C384 H180 B12 F180 I12 O24 -","12","3","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.084","0.053","","","0.1208","0.1388","","","","","","1.037","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126013","18.896","0.0005","15.0948","0.0003","22.5368","0.0007","90","","103.389","0.003","90","","6253.5","0.3","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N4 O8 -","- C34 H36 N4 O8 -","- C272 H288 N32 O64 -","8","1","","Johnson, Stuart; Kovács, Ervin; Greaney, Michael F.","Arylation and alkenylation of activated alkyl halides using sulfonamides.","Chemical communications (Cambridge, England)","2020","56","21","3222","3224","10.1039/d0cc00220h","","x-ray","0.71073","MoKα","","0.0793","0.0587","","","0.1271","0.137","","","","","","1.052","","","","has coordinates","250202","2020-10-21","18:00:00",""
"7126014","16.2354","0.0008","5.8866","0.0004","20.5287","0.0011","90","","93.513","0.004","90","","1958.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C88 H116 N12 -","4","1","","Sarkar, Tanumay; Talukdar, Kangkan; Roy, Subhasish; Punniyamurthy, Tharmalingam","Expedient iron-catalyzed stereospecific synthesis of triazines via cycloaddition of aziridines with diaziridines.","Chemical communications (Cambridge, England)","2020","56","23","3381","3384","10.1039/c9cc10089j","","","0.71073","MoKα","","0.0846","0.0532","","","0.1448","0.1764","","","","","","1.024","","","","has coordinates","250192","2020-10-21","18:00:00",""
"7126015","6.1688","0.0008","10.0037","0.0013","20.56","0.003","103.548","0.005","91.18","0.005","95.599","0.005","1226.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N3 O2 -","- C28 H33 N3 O2 -","- C56 H66 N6 O4 -","2","1","","Sarkar, Tanumay; Talukdar, Kangkan; Roy, Subhasish; Punniyamurthy, Tharmalingam","Expedient iron-catalyzed stereospecific synthesis of triazines via cycloaddition of aziridines with diaziridines.","Chemical communications (Cambridge, England)","2020","56","23","3381","3384","10.1039/c9cc10089j","","","0.71073","MoKα","","0.1299","0.0668","","","0.1608","0.2092","","","","","","1.047","","","","has coordinates","250192","2020-10-21","18:00:00",""
"7126016","28.46","0.007","4.932","0.0011","24.318","0.006","90","","112.81","0.009","90","","3146.4","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N5 O2 -","- C18 H16 N5 O2 -","- C144 H128 N40 O16 -","8","1","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.7749","synchrotron","","0.0618","0.0514","","","0.1369","0.1454","","","","","","1.035","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126017","12.3192","0.0008","17.5994","0.0011","14.9947","0.0008","90","","96.71","0.004","90","","3228.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H94 N10 O6 Ti2 -","- C68 H94 N10 O6 Ti2 -","- C136 H188 N20 O12 Ti4 -","2","0.5","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.71073","MoKα","","0.104","0.0659","","","0.1396","0.1571","","","","","","1.042","","","","has coordinates","250207","2020-10-21","18:00:00",""
"7126018","9.9438","0.0004","12.8964","0.001","13.5489","0.0006","86.435","0.005","79.518","0.004","74.129","0.005","1643.23","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H94 N10 O6 Ti2 -","- C68 H94 N10 O6 Ti2 -","- C68 H94 N10 O6 Ti2 -","1","0.5","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.7749","synchrotron","","0.1203","0.1166","","","0.3285","0.335","","","","","","1.044","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126019","12.7936","0.0006","18.121","0.001","19.6033","0.001","98.602","0.003","108.452","0.003","101.429","0.003","4113.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H114 N14 O6 Ti2 -","- C88 H114 N14 O6 Ti2 -","- C176 H228 N28 O12 Ti4 -","2","1","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.71073","MoKα","","0.1167","0.0772","","","0.2171","0.2489","","","","","","1.066","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126020","12.807","0.001","18.384","0.002","20.411","0.002","73.022","0.001","72.779","0.002","70.673","0.002","4230","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90.5 H116.5 N14.5 O6 V2 -","- C90.5 H116.5 N14.5 O6 V2 -","- C181 H233 N29 O12 V4 -","2","1","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.7749","synchrotron","","0.1008","0.0851","","","0.2503","0.2679","","","","","","1.034","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126021","9.742","0.0002","14.4225","0.0003","28.1311","0.0005","90","","93.409","0.002","90","","3945.54","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H48 In6 N6 S12 -","- C6 H24 In6 N3 S12 -","- C24 H96 In24 N12 S48 -","4","1","","Wang, Kai-Yao; Sun, Meng; Ding, Dong; Liu, Hua-Wei; Cheng, Lin; Wang, Cheng","Di-lacunary [In<sub>6</sub>S<sub>15</sub>]<sup>12-</sup> cluster: the building block of a highly negatively charged framework for superior Sr<sup>2+</sup> adsorption capacities.","Chemical communications (Cambridge, England)","2020","56","23","3409","3412","10.1039/d0cc00441c","","","1.54178","CuKα","","0.1008","0.092","","","0.2606","0.2691","","","","","","1.049","","","","has coordinates","250199","2020-10-21","18:00:00",""
"7126022","4.41084","0.00004","4.41084","0.00004","9.06779","0.00017","90","","90","","90","","176.418","0.004","298","","298","","","","","","","","Synthesis","4","P -4 21 m","P -4 2ab","113","Sodium ethoxylate; sodium ethanolate","Sodium ethoxide","","- C2 H5 Na O -","- C2 H5 Na O -","- C4 H10 Na2 O2 -","2","0.25","","Beske, Maurice; Tapmeyer, Lukas; Schmidt, Martin U.","Crystal structure of sodium ethoxide (C<sub>2</sub>H<sub>5</sub>ONa), unravelled after 180 years.","Chemical communications (Cambridge, England)","2020","56","24","3520","3523","10.1039/c9cc08907a","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.58848","1.58217","","","","","","","has coordinates","250154","2020-10-21","18:00:00",""
"7126023","11.622","0.006","5.1926","0.0009","17.682","0.006","90","","104.08","0.03","90","","1035","0.7","238","2","238","2","","","101.3","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","sodium ethanolate ethanol disolvate","sodium ethoxide ethanol disolvate","","- C6 H17 Na O3 -","- C6 H17 Na O3 -","- C24 H68 Na4 O12 -","4","1","","Beske, Maurice; Tapmeyer, Lukas; Schmidt, Martin U.","Crystal structure of sodium ethoxide (C<sub>2</sub>H<sub>5</sub>ONa), unravelled after 180 years.","Chemical communications (Cambridge, England)","2020","56","24","3520","3523","10.1039/c9cc08907a","","x-ray","1.54178","CuKα","","0.1691","0.0842","","","0.2178","0.2709","","","","","","0.98","","","","has coordinates","250154","2020-10-21","18:00:00",""
"7126024","7.0041","0.0019","15.654","0.004","16.326","0.004","90","","115.405","0.008","90","","1616.9","0.7","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Au Cl3 N3 O -","- C10 H17 Au Cl3 N3 O -","- C40 H68 Au4 Cl12 N12 O4 -","4","1","","Terrón, Angel; Buils, Jordi; Mooibroek, Tiddo J.; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Juan J.; Frontera, Antonio","Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex.","Chemical communications (Cambridge, England)","2020","56","24","3524","3527","10.1039/d0cc00505c","","x-ray","0.71073","MoKα","","0.1145","0.0516","","","0.0975","0.1136","","","","","","0.88","","","","has coordinates","250152","2020-10-21","18:00:00",""
"7126025","25.3657","0.0015","9.9388","0.0006","29.1779","0.0017","90","","92.788","0.002","90","","7347.2","0.8","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.7749","synchrotron","","0.0829","0.0757","","","0.1842","0.1949","","","","","","1.03","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126026","24.115","0.004","9.2099","0.0011","26.461","0.003","90","","83.888","0.007","90","","5843.5","1.4","298","2","298","2","","","5.81","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0912","0.0703","","","0.1766","0.1892","","","","","","0.981","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126027","24.808","0.006","9.6971","0.0012","27.648","0.003","90","","92.073","0.004","90","","6646.8","1.9","298","2","298","2","","","1.3","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.1296","0.0994","","","0.2556","0.2829","","","","","","1.037","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126028","24.215","0.006","9.2391","0.0016","26.599","0.005","90","","84.042","0.008","90","","5919","2","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0731","0.0445","","","0.095","0.1007","","","","","","0.938","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126029","25.1863","0.0018","9.9249","0.0007","28.57","0.002","90","","91.745","0.003","90","","7138.4","0.9","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.7749","synchrotron","","0.067","0.0543","","","0.1366","0.1477","","","","","","1.045","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126030","24.259","0.006","9.2882","0.0015","26.841","0.004","90","","84.039","0.008","90","","6015","2","298","2","298","2","","","4.67","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.1247","0.0803","","","0.1687","0.1914","","","","","","1.085","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126031","23.997","0.003","9.1398","0.0008","26.116","0.0018","90","","83.75","0.005","90","","5693.9","1","298","2","298","2","","","6.9","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0992","0.0785","","","0.1973","0.2112","","","","","","0.961","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126032","23.811","0.007","9.0709","0.0019","25.766","0.005","90","","83.532","0.007","90","","5530","2","298","2","298","2","","","8.13","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.1123","0.0653","","","0.1473","0.1623","","","","","","0.923","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126033","24.281","0.003","9.4519","0.0006","26.2355","0.0015","90","","91.553","0.002","90","","6018.9","0.9","298","2","298","2","","","3.46","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0529","0.048","","","0.1288","0.1338","","","","","","1.104","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126034","12.782","0.0003","12.782","","8.4363","0.0002","90","","90","","90","","1378.32","0.05","230","","230","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C18 H26 Eu F4 N5 O9 S4 -","- C18 H26 Eu F4 N5 O9 S4 -","- C36 H52 Eu2 F8 N10 O18 S8 -","2","0.25","","Zeng, Qi; Wang, Lei; Huang, Yitao; Zheng, Sai-Li; He, Yonghe; He, Jun; Liao, Wei-Ming; Xu, Gang; Zeller, Matthias; Xu, Zhengtao","An air-stable anionic two-dimensional semiconducting metal-thiolate network and its exfoliation into ultrathin few-layer nanosheets.","Chemical communications (Cambridge, England)","2020","56","25","3645","3648","10.1039/c9cc09349d","","","0.71073","MoKα","","0.0279","0.0214","","","0.0466","0.051","","","","","","1.059","","","","has coordinates,has disorder","250182","2020-10-21","18:00:00",""
"7126035","8.6582","0.0005","9.3734","0.0006","12.1489","0.0008","90.286","0.003","95.226","0.002","90.478","0.002","981.82","0.11","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H36 Ag Bi I12 N4 -","- C12 H36 Ag Bi I12 N4 -","- C12 H36 Ag Bi I12 N4 -","1","0.5","","Yao, Yunpeng; Kou, Bo; Peng, Yu; Wu, Zhenyue; Li, Lina; Wang, Sasa; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua","(C<sub>3</sub>H<sub>9</sub>NI)<sub>4</sub>AgBiI<sub>8</sub>: a direct-bandgap layered double perovskite based on a short-chain spacer cation for light absorption.","Chemical communications (Cambridge, England)","2020","56","21","3206","3209","10.1039/c9cc07796k","","","0.71073","MoKα","","0.0761","0.0583","","","0.087","0.0926","","","","","","1.137","","","","has coordinates","250201","2020-10-21","18:00:00",""
"7126036","12.1765","0.0004","13.0482","0.0006","15.231","0.0005","111.513","0.004","112.548","0.004","93.946","0.003","2016.53","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","core-modified isosmaragdyrin","","- C52 H38 F5 N3 -","- C52 H38 F5 N3 -","- C104 H76 F10 N6 -","2","1","","Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.","Isosmaragdyrin with an N<sub>3</sub>C<sub>2</sub> core: stabilization of Rh(i) and organo-Pt(ii) complexes.","Chemical communications (Cambridge, England)","2020","56","24","3551","3554","10.1039/d0cc00214c","","x-ray","1.54184","CuKα","","0.1331","0.0804","","","0.2193","0.2602","","","","","","0.952","","","","has coordinates","250153","2020-10-21","18:00:00",""
"7126037","31.6392","0.0015","8.7956","0.0004","37.084","0.002","90","","93.548","0.005","90","","10300.2","0.9","299.2","0.4","299.2","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Py-ism-Pt","","- C400 H344 Cl F72 N80 Pt8 -","- C416 H296 Cl8 F40 N24 Pt8 -","- C416 H296 Cl8 F40 N24 Pt8 -","1","0.125","","Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.","Isosmaragdyrin with an N<sub>3</sub>C<sub>2</sub> core: stabilization of Rh(i) and organo-Pt(ii) complexes.","Chemical communications (Cambridge, England)","2020","56","24","3551","3554","10.1039/d0cc00214c","","x-ray","1.54184","CuKα","","0.1237","0.0907","","","0.2424","0.2739","","","","","","0.994","","","","has coordinates","250153","2020-10-21","18:00:00",""
"7126038","12.7471","0.0002","24.2024","0.0004","35.7587","0.0013","90","","90","","90","","11031.9","0.5","296.87","0.1","296.87","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C54 H39 F5 N3 O2 Rh -","- C54 H38 F5 N3 O2 Rh -","- C432 H304 F40 N24 O16 Rh8 -","8","1","","Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.","Isosmaragdyrin with an N<sub>3</sub>C<sub>2</sub> core: stabilization of Rh(i) and organo-Pt(ii) complexes.","Chemical communications (Cambridge, England)","2020","56","24","3551","3554","10.1039/d0cc00214c","","","1.54184","CuKα","","0.1123","0.1014","","","0.2736","0.2901","","","","","","1.12","","","","has coordinates","250153","2020-10-21","18:00:00",""
"7126039","17.1162","0.0016","7.7907","0.0009","42.35","0.005","90","","90.551","0.004","90","","5647","1.1","150","","150","","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H21 N5 O2 S -","- C36 H21 N5 O2 S -","- C288 H168 N40 O16 S8 -","8","1","","Bui, Anh Thy; Philippe, Clotilde; Beau, Maxime; Richy, Nicolas; Cordier, Marie; Roisnel, Thierry; Lemiègre, Loïc; Mongin, Olivier; Paul, Frédéric; Trolez, Yann","Synthesis, characterization and unusual near-infrared luminescence of 1,1,4,4-tetracyanobutadiene derivatives.","Chemical communications (Cambridge, England)","2020","56","24","3571","3574","10.1039/c9cc09560h","","x-ray","0.71073","MoKα","","0.0527","0.0442","","","0.1156","0.123","","","","","","1.042","","","","has coordinates","250155","2020-10-21","18:00:00",""
"7126040","8.766","0.0009","26.272","0.002","11.5682","0.0009","90","","109.987","0.003","90","","2503.7","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N5 O2 S -","- C32 H19 N5 O2 S -","- C128 H76 N20 O8 S4 -","4","1","","Bui, Anh Thy; Philippe, Clotilde; Beau, Maxime; Richy, Nicolas; Cordier, Marie; Roisnel, Thierry; Lemiègre, Loïc; Mongin, Olivier; Paul, Frédéric; Trolez, Yann","Synthesis, characterization and unusual near-infrared luminescence of 1,1,4,4-tetracyanobutadiene derivatives.","Chemical communications (Cambridge, England)","2020","56","24","3571","3574","10.1039/c9cc09560h","","x-ray","0.71073","MoKα","","0.0631","0.0435","","","0.0991","0.1069","","","","","","1.072","","","","has coordinates","250155","2020-10-21","18:00:00",""
"7126041","15.3383","0.0002","15.3383","0.0002","25.9466","0.0005","90","","90","","90","","6104.29","0.16","150","0.1","150","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H44 Br6 P4 Rh2 -","- C51 H44 Br6 P4 Rh2 -","- C204 H176 Br24 P16 Rh8 -","4","0.5","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","1.54184","CuKα","","0.1383","0.0944","","","0.2596","0.3215","","","","","","1.045","","","","has coordinates,has disorder","248299","2020-10-21","18:00:00",""
"7126042","11.7284","0.0003","23.9123","0.0007","12.042","0.0003","90","","93.506","0.003","90","","3370.89","0.16","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H66 F6 N2 O6 P4 Rh2 S2 -","- C71 H66 F6 N2 O6 P4 Rh2 S2 -","- C142 H132 F12 N4 O12 P8 Rh4 S4 -","2","0.5","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","1.54184","CuKα","","0.1061","0.0982","","","0.2618","0.2702","","","","","","1.062","","","","has coordinates","248299","2020-10-21","18:00:00",""
"7126043","10.9452","0.0005","14.1036","0.0007","23.4931","0.0008","81.467","0.004","76.544","0.003","69.731","0.004","3299.5","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl9 P4 Rh2 -","- C52 H45 Cl9 P4 Rh2 -","- C104 H90 Cl18 P8 Rh4 -","2","1","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","0.71073","MoKα","","0.1193","0.0798","","","0.1969","0.2233","","","","","","1.07","","","","has coordinates","248299","2020-10-21","18:00:00",""
"7126044","21.268","0.0004","21.268","0.0004","14.3108","0.0004","90","","90","","90","","6473.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C52.24 H46.48 Cl4.48 P4 Rh2 -","- C52.2666 H46.5332 Cl4.5332 P4 Rh2 -","- C209.066 H186.133 Cl18.1328 P16 Rh8 -","4","1","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","0.71073","MoKα","","0.0833","0.0594","","","0.1562","0.1815","","","","","","1.089","","","","has coordinates","248299","2020-10-21","18:00:00",""
"7126045","12.59029","0.00007","15.93625","0.00008","23.78509","0.00012","90","","93.231","0.0005","90","","4764.7","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 As N3 -","- C54 H72 As N3 -","- C216 H288 As4 N12 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","1.54184","CuKα","","0.0307","0.0269","","","0.0677","0.0705","","","","","","1.026","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126046","11.4502","0.0003","19.3524","0.0005","25.1018","0.0007","76.229","0.002","89.254","0.002","88.856","0.002","5401.1","0.3","99.99","0.16","99.99","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C54 H72 As Cl4 Ga N3 -","- C54 H72 As Cl4 Ga N3 -","- C216 H288 As4 Cl16 Ga4 N12 -","4","2","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.0956","0.055","","","0.1135","0.1294","","","","","","1.041","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126047","18.8381","0.0006","11.9051","0.0004","22.8999","0.0007","90","","101.668","0.003","90","","5029.6","0.3","100","0.11","100","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 As N3 -","- C57 H76 As N3 -","- C228 H304 As4 N12 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.1008","0.0554","","","0.1071","0.1247","","","","","","1.036","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126048","13.7117","0.0005","24.2939","0.0007","24.861","0.0008","100.452","0.002","98.045","0.003","98.408","0.003","7937.7","0.5","100.01","0.12","100.01","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C57 H76 As Cl8 Ga2 N3 -","- C57 H76 As Cl8 Ga2 N3 -","- C228 H304 As4 Cl32 Ga8 N12 -","4","2","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.0829","0.0498","","","0.1177","0.1308","","","","","","1.012","","","","has coordinates,has disorder","250150","2020-10-21","18:00:00",""
"7126049","12.6066","0.0003","23.8366","0.0005","18.7085","0.0004","90","","98.41","0.002","90","","5561.4","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H76 As Cl4 Ga N3 -","- C57 H76 As Cl4 Ga N3 -","- C228 H304 As4 Cl16 Ga4 N12 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.0661","0.0403","","","0.085","0.0949","","","","","","1.011","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126050","18.8893","0.0004","26.1136","0.0004","24.2536","0.0004","90","","90","","90","","11963.5","0.4","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 As Cl8 Ga2 N3 -","- C54 H72 As Cl8 Ga2 N3 -","- C432 H576 As8 Cl64 Ga16 N24 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","1.54184","CuKα","","0.085","0.0676","","","0.1669","0.1792","","","","","","1.087","","","","has coordinates,has disorder","250150","2020-10-21","18:00:00",""
"7126051","10.131","0.0004","10.131","0.0004","5.9315","0.0003","90","","90","","120","","527.23","0.04","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ba3 Cl3 F6 In -","- Ba3 Cl3 F6 In -","- Ba6 Cl6 F12 In2 -","2","0.166667","","Jiang, Xiaoqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","In[Ba<sub>3</sub>Cl<sub>3</sub>F<sub>6</sub>]: a novel infrared-transparent molecular sieve constructed by halides.","Chemical communications (Cambridge, England)","2020","56","22","3297","3300","10.1039/d0cc00455c","","","0.71073","MoKα","","0.0212","0.0194","","","0.0413","0.0419","","","","","","1.249","","","","has coordinates","250163","2020-10-21","18:00:00",""
"7126052","7.053","0.005","18.102","0.012","11.924","0.007","90","","106.894","0.01","90","","1456.7","1.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Pal, Pranesh; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Mn-catalyzed radical initiated domino transformation of alkynylated cyclohexadienones with TMSN<sub>3</sub> and O<sub>2</sub> to bicyclic azido alcohols.","Chemical communications (Cambridge, England)","2020","56","23","3453","3456","10.1039/d0cc00102c","","","0.71073","MoKα","","0.1154","0.0627","","","0.1758","0.2169","","","","","","1.06","","","","has coordinates","250198","2020-10-21","18:00:00",""
"7126053","20.9281","0.0012","22.1548","0.0012","28.9986","0.0017","90","","90","","90","","13445.4","1.3","190","","190","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ag12 F36 N12 O26 S6 -","- C90 H100 Ag12 F36 N12 O26 S6 -","- C360 H400 Ag48 F144 N48 O104 S24 -","4","0.5","","Chen, Xu-Ran; Yang, Ling; Tan, Yu-Ling; Yu, Hong; Ni, Chun-Yan; Niu, Zheng; Lang, Jian-Ping","The solvent-induced isomerization of silver thiolate clusters with symmetry transformation.","Chemical communications (Cambridge, England)","2020","56","25","3649","3652","10.1039/d0cc01195a","","","0.71073","MoKα","","0.0756","0.0484","","","0.1009","0.1142","","","","","","1.064","","","","has coordinates,has disorder","250184","2020-10-21","18:00:00",""
"7126054","30.2957","0.0017","20.8495","0.001","22.4448","0.0012","90","","114.615","0.002","90","","12888.9","1.2","190","","190","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H92 Ag12 F36 N8 O26 S6 -","- C84 H92 Ag12 F35.994 N8 O26 S6 -","- C336 H368 Ag48 F143.976 N32 O104 S24 -","4","0.5","","Chen, Xu-Ran; Yang, Ling; Tan, Yu-Ling; Yu, Hong; Ni, Chun-Yan; Niu, Zheng; Lang, Jian-Ping","The solvent-induced isomerization of silver thiolate clusters with symmetry transformation.","Chemical communications (Cambridge, England)","2020","56","25","3649","3652","10.1039/d0cc01195a","","","0.71065","MoKα","","0.0608","0.0394","","","0.0869","0.0959","","","","","","1.019","","","","has coordinates,has disorder","250184","2020-10-21","18:00:00",""
"7126055","13.8315","0.0008","29.7018","0.0015","16.2995","0.0009","90","","94.93","0.002","90","","6671.4","0.6","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H84 Ag12 F36 N8 O24 S6 -","- C82 H84 Ag12 F36 N8 O24 S6 -","- C164 H168 Ag24 F72 N16 O48 S12 -","2","0.5","","Chen, Xu-Ran; Yang, Ling; Tan, Yu-Ling; Yu, Hong; Ni, Chun-Yan; Niu, Zheng; Lang, Jian-Ping","The solvent-induced isomerization of silver thiolate clusters with symmetry transformation.","Chemical communications (Cambridge, England)","2020","56","25","3649","3652","10.1039/d0cc01195a","","","0.71073","MoKα","","0.1273","0.0809","","","0.2077","0.2451","","","","","","1.045","","","","has coordinates,has disorder","250184","2020-10-21","18:00:00",""
"7126056","9.6472","0.0015","9.6472","0.0015","21.411","0.003","90","","90","","90","","1992.7","0.5","120","2","120","2","","","","","","","","6","I 4","I 4","79","","","","- C41 H54 Ag F6 N4 P -","- C41 H54 Ag F6 N4 P -","- C82 H108 Ag2 F12 N8 P2 -","2","0.25","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0292","0.0279","","","0.0595","0.0599","","","","","","1.048","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126057","13.8399","0.0017","13.5554","0.0016","18.233","0.002","90","","100.627","0.002","90","","3361.9","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H46 Ag B F4 N4 -","- C37 H46 Ag B F4 N4 -","- C148 H184 Ag4 B4 F16 N16 -","4","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0617","0.06","","","0.1743","0.1781","","","","","","1.05","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126058","9.614","0.004","9.614","0.004","21.337","0.008","90","","90","","90","","1972.2","1.4","120","2","120","2","","","","","","","","6","I 4","I 4","79","","","","- C41 H54 Ag F6 N4 P -","- C41 H54 Ag F6 N4 P -","- C82 H108 Ag2 F12 N8 P2 -","2","0.25","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0451","0.044","","","0.1141","0.1151","","","","","","1.02","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126059","8.7797","0.0007","19.0092","0.0015","12.9597","0.001","90","","90.5449","0.0016","90","","2162.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H62 N6 O8 Zn -","- C43 H62 N6 O8 Zn -","- C86 H124 N12 O16 Zn2 -","2","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0965","0.0555","","","0.1182","0.1404","","","","","","1.012","","","","has coordinates","250197","2020-10-21","18:00:00",""
"7126060","13.8896","0.0012","14.0055","0.0012","37.666","0.003","90","","90","","90","","7327.2","1.1","90","2","90","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C37 H42 Ag F10 N4 P -","- C37 H42 Ag F10 N4 P -","- C296 H336 Ag8 F80 N32 P8 -","8","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0296","0.0293","","","0.0812","0.0829","","","","","","1.047","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126061","9.493","0.004","8.9361","0.0012","13.533","0.01","90","","96.47","0.05","90","","1140.7","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 B N -","- C16 H12 B N -","- C64 H48 B4 N4 -","4","1","","Abengózar, Alberto; Valencia, Isabel; Otárola, Guillermo G; Sucunza, David; García-García, Patricia; Pérez-Redondo, Adrián; Mendicuti, Francisco; Vaquero, Juan J.","Expanding the BN-embedded PAH family: 4a-aza-12a-borachrysene.","Chemical communications (Cambridge, England)","2020","56","25","3669","3672","10.1039/c9cc09998k","","x-ray","0.71073","MoKα","","0.1314","0.0652","","","0.153","0.1919","","","","","","1.027","","","","has coordinates","250185","2020-10-21","18:00:00",""
"7126062","11.895","0.006","13.566","0.006","21.429","0.01","89.762","0.005","74.368","0.005","73.348","0.005","3180","3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C154 H122 Cl6 O16 -","- C154 H122 Cl6 O16 -","- C154 H122 Cl6 O16 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Haino, Takeharu","Upper-rim functionalization and supramolecular polymerization of a feet-to-feet-connected biscavitand.","Chemical communications (Cambridge, England)","2020","56","26","3733","3736","10.1039/d0cc00933d","","","0.71073","MoKα","","0.2483","0.149","","","0.3844","0.4297","","","","","","1.283","","","","has coordinates,has disorder","250175","2020-10-21","18:00:00",""
"7126063","13.4923","0.0009","19.9659","0.0014","24.448","0.0016","102.869","0.004","97.74","0.004","94.707","0.004","6319.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H128 N25 Nd O88 Si2 W22 -","- C51 H103 N23 Nd O86.2 Si2 W22 -","- C102 H206 N46 Nd2 O172.4 Si4 W44 -","2","1","","Nie, Yan-Mei; Li, Sang-Hao; Lin, Ming-Yuan; Yan, Jun","A micro-environment tuning approach for enhancing the catalytic capabilities of lanthanide containing polyoxometalate in the cyanosilylation of ketones.","Chemical communications (Cambridge, England)","2020","56","26","3809","3812","10.1039/d0cc01216e","","","0.71073","MoKα","","0.044","0.0311","","","0.063","0.0672","","","","","","1.08","","","","has coordinates","250176","2020-10-21","18:00:00",""
"7126064","15.3728","0.0004","15.4794","0.0004","15.4872","0.0004","61.894","0.003","68.689","0.002","61.905","0.003","2819.87","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H46 Ag13 F36 N12 -","- C94 H46 Ag13 F36 N12 -","- C94 H46 Ag13 F36 N12 -","1","0.5","","Peng, Su-Kao; Lu, Zhou; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Jia-Nan; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Unexpected structural transformation into noria-like Ag<sub>13</sub> metal clusters and a copper-doping induced boost in photoluminescence.","Chemical communications (Cambridge, England)","2020","56","35","4789","4792","10.1039/c9cc09818f","","x-ray","0.71073","MoKα","","0.0452","0.0342","","","0.0756","0.0795","","","","","","1.013","","","","has coordinates,has disorder","251583","2020-10-21","18:00:00",""
"7126065","15.4952","0.0004","15.5896","0.0003","15.5997","0.0003","61.283","0.002","67.64","0.002","61.42","0.002","2846.14","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H46 Ag11.5 Cu1.5 F36 N12 -","- C94 H46 Ag11.5 Cu1.5 F36 N12 -","- C94 H46 Ag11.5 Cu1.5 F36 N12 -","1","0.5","","Peng, Su-Kao; Lu, Zhou; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Jia-Nan; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Unexpected structural transformation into noria-like Ag<sub>13</sub> metal clusters and a copper-doping induced boost in photoluminescence.","Chemical communications (Cambridge, England)","2020","56","35","4789","4792","10.1039/c9cc09818f","","x-ray","1.54184","CuKα","","0.0674","0.0631","","","0.1731","0.1759","","","","","","1.05","","","","has coordinates,has disorder","251583","2020-10-21","18:00:00",""
"7126066","15.5019","0.0004","15.7093","0.0004","15.9495","0.0006","60.608","0.003","65.701","0.003","61.289","0.003","2888.52","0.18","100","10","100","10","","","","","","","","6","P -1","-P 1","2","","","","- C94 H46 Ag11.96 Cu F36 N12 -","- C94 H46 Ag12.046 Cu0.902 F36 N12 -","- C94 H46 Ag12.046 Cu0.902 F36 N12 -","1","0.5","","Peng, Su-Kao; Lu, Zhou; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Jia-Nan; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Unexpected structural transformation into noria-like Ag<sub>13</sub> metal clusters and a copper-doping induced boost in photoluminescence.","Chemical communications (Cambridge, England)","2020","56","35","4789","4792","10.1039/c9cc09818f","","","1.54184","CuKα","","0.0955","0.0876","","","0.2459","0.2533","","","","","","1.038","","","","has coordinates,has disorder","251583","2020-10-21","18:00:00",""
"7126067","7.994","0.0009","5.8548","0.0006","25.946","0.002","90","","92.333","0.01","90","","1213.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl N S -","- C14 H10 Cl N S -","- C56 H40 Cl4 N4 S4 -","4","1","","Reddy, Mandapati Bhargava; Anandhan, Ramasamy","Visible light initiated amino group ortho-directed copper(i)-catalysed aerobic oxidative C(sp)-S coupling reaction: synthesis of substituted 2-phenylbenzothiazoles via thia-Wolff rearrangement.","Chemical communications (Cambridge, England)","2020","56","26","3781","3784","10.1039/d0cc00815j","","","0.71073","MoKα","","0.1275","0.0675","","","0.1397","0.1724","","","","","","1.05","","","","has coordinates","250173","2020-10-21","18:00:00",""
"7126068","6.4039","0.0004","49.826","0.003","9.4014","0.0005","90","","90.163","0.002","90","","2999.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","anti-5-[2-(4-trifluoromethylphenyl)isoindoline-1,3-dionyl]methyl dispiro[tricyclo [3.3.1.13,7]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.13,7]decan]-5-carboxylate","","- C37 H36 F3 N O6 -","- C37 H36 F3 N O6 -","- C148 H144 F12 N4 O24 -","4","1","","Matsuhashi, Chihiro; Ueno, Takuya; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro; Hirano, Takashi","Isomeric difference in the crystalline-state chemiluminescence property of an adamantylideneadamantane 1,2-dioxetane with a phthalimide chromophore.","Chemical communications (Cambridge, England)","2020","56","23","3369","3372","10.1039/c9cc10012a","","x-ray","0.71075","MoKα","","0.0998","0.0649","","","0.1608","0.1866","","","","","","1.039","","","","has coordinates","250193","2020-10-21","18:00:00",""
"7126069","6.847","0.002","9.989","0.003","23.661","0.008","81.861","0.013","81.721","0.011","71.02","0.02","1506.6","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Syn-5-[2-(4-trifluoromethylphenyl)isoindoline-1,3-dionyl]methyl dispiro[tricyclo [3.3.1.13,7]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.13,7]decan]-5-carboxylate","Syn-5-[2-(4-trifluoromethylphenyl)isoindoline-1,3-dionyl]methyl dispiro[tricyclo [3.3.1.13,7]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.13,7]decan]-5-carboxylate","","- C37 H36 F3 N O6 -","- C37 H36 F3 N O6 -","- C74 H72 F6 N2 O12 -","2","1","","Matsuhashi, Chihiro; Ueno, Takuya; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro; Hirano, Takashi","Isomeric difference in the crystalline-state chemiluminescence property of an adamantylideneadamantane 1,2-dioxetane with a phthalimide chromophore.","Chemical communications (Cambridge, England)","2020","56","23","3369","3372","10.1039/c9cc10012a","","","0.71075","MoKα","","0.4605","0.1103","","","0.2366","0.3699","","","","","","0.719","","","","has coordinates","250193","2020-10-21","18:00:00",""
"7126070","16.718","0.003","13.417","0.002","22.998","0.004","90","","101.935","0.002","90","","5047.1","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cl2 Co2 N10 O16 -","- C47 H40 Cl2 Co2 N10 O16 -","- C188 H160 Cl8 Co8 N40 O64 -","4","0.5","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.1082","0.0751","","","0.2251","0.2523","","","","","","1.058","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126071","15.885","0.008","13.472","0.006","23.262","0.01","90","","100.741","0.012","90","","4891","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Cl2 Fe2 N10 O12 -","- C46 H40 Cl2 Fe2 N10 O12 -","- C184 H160 Cl8 Fe8 N40 O48 -","4","0.5","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.2025","0.0868","","","0.221","0.296","","","","","","1","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126072","9.033","0.003","11.082","0.004","24.474","0.009","90","","90","","90","","2449.9","1.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl Mn N5 O6 -","- C24 H23 Cl Mn N5 O6 -","- C96 H92 Cl4 Mn4 N20 O24 -","4","1","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.0694","0.0546","","","0.1573","0.1702","","","","","","1.024","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126073","13.82","0.03","14.61","0.04","14.99","0.04","62.12","0.03","76.15","0.04","71.48","0.04","2522","11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cl2 Cu2 N10 O12 -","- C48 H40 Cl2 Cu2 N10 O12 -","- C96 H80 Cl4 Cu4 N20 O24 -","2","1","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.1552","0.0852","","","0.222","0.2835","","","","","","0.933","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126074","12.15","0.006","13.633","0.007","14.455","0.007","90","","107.636","0.008","90","","2282","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl N5 Ni O6 -","- C23 H20 Cl N5 Ni O6 -","- C92 H80 Cl4 N20 Ni4 O24 -","4","1","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.1466","0.1071","","","0.2637","0.3124","","","","","","1.01","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126075","13.9788","0.0002","16.4794","0.0002","37.2813","0.0006","85.933","0.001","84.334","0.001","70.868","0.001","8067.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H138 Cl16 Dy6 K4 O6 -","- C84 H138 Cl16 Dy6 K4 O6 -","- C252 H414 Cl48 Dy18 K12 O18 -","3","1.5","","Wu, Jianfeng; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Hexanuclear [Cp*Dy]<sub>6</sub> single-molecule magnet.","Chemical communications (Cambridge, England)","2020","56","27","3887","3890","10.1039/c9cc09774k","","","0.71073","MoKα","","0.0439","0.0372","","","0.0982","0.1059","","","","","","1.049","","","","has coordinates,has disorder","250170","2020-10-21","18:00:00",""
"7126076","25.9806","0.0009","24.253","0.0008","26.5964","0.0008","90","","97.253","0.002","90","","16624.5","0.9","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C112 H80 Cl2 -","- C112 H80 Cl2 -","- C896 H640 Cl16 -","8","2","","Yu, Jie; Tang, Chunlin; Gu, Xinggui; Zheng, Xiaoyan; Yu, Zhen-Qiang; He, Zikai; Li, Xin-Gui; Tang, Ben Zhong","Highly emissive phenylene-expanded [5]radialene.","Chemical communications (Cambridge, England)","2020","56","27","3911","3914","10.1039/d0cc00122h","","","1.54184","CuKα","","0.1439","0.0945","","","0.2318","0.268","","","","","","1.038","","","","has coordinates,has disorder","250169","2020-10-21","18:00:00",""
"7126077","25.2486","0.0005","15.0232","0.0003","39.512","0.0008","90","","95.365","0.001","90","","14921.8","0.5","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C129 H56 N4 Ni Sc1.75 U0.88 -","- C129 H56 N4 Ni Sc1.7538 U0.8769 -","- C1032 H448 N32 Ni8 Sc14.0304 U7.0152 -","8","1","","Li, Xiaomeng; Yao, Yang-Rong; Yang, Wei; Zhuang, Jiaxin; Echegoyen, Luis; Chen, Ning","Crystallographic and spectroscopic characterization of a mixed actinide-lanthanide carbide cluster stabilized inside an I<sub>h</sub>(7)-C<sub>80</sub> fullerene cage.","Chemical communications (Cambridge, England)","2020","56","27","3867","3870","10.1039/d0cc00133c","","","0.77491","synchrotron","","0.0828","0.0724","","","0.1897","0.1994","","","","","","1.038","","","","has coordinates,has disorder","250167","2020-10-21","18:00:00",""
"7126078","6.1114","0.0003","8.7281","0.0004","20.9657","0.001","80.025","0.003","89.183","0.003","88.02","0.003","1100.73","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 F3 N3 O2 -","- C11 H10 F3 N3 O2 -","- C44 H40 F12 N12 O8 -","4","2","","Wagner, Shana; Sudhamalla, Babu; Mannes, Philip; Sappa, Sushma; Kavoosi, Sam; Dey, Debasis; Wang, Sinan; Islam, Kabirul","Engineering bromodomains with a photoactive amino acid by engaging 'Privileged' tRNA synthetases.","Chemical communications (Cambridge, England)","2020","56","25","3641","3644","10.1039/c9cc09891g","","","1.54178","CuKα","","0.0983","0.0813","","","0.1974","0.2061","","","","","","1.876","","","","has coordinates","250181","2020-10-21","18:00:00",""
"7126079","6.9629","0.0008","27.163","0.003","11.1046","0.0013","90","","96.72","0.007","90","","2085.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 N2 Ni O2 S -","- C23 H19 F3 N2 Ni O2 S -","- C92 H76 F12 N8 Ni4 O8 S4 -","4","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0541","0.0387","","","0.0854","0.0916","","","","","","1.035","","","","has coordinates","251544","2020-10-21","18:00:00",""
"7126080","14.4635","0.0013","6.9797","0.0006","25.786","0.002","90","","100.159","0.005","90","","2562.3","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 F N2 Ni O2 -","- C30 H30 F N2 Ni O2 -","- C120 H120 F4 N8 Ni4 O8 -","4","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0504","0.0362","","","0.0895","0.097","","","","","","1.049","","","","has coordinates","251544","2020-10-21","18:00:00",""
"7126081","11.9534","0.0007","13.7247","0.0007","17.1253","0.001","90","","93.572","0.001","90","","2804.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 Ni O Si2 -","- C28 H37 N3 Ni O Si2 -","- C112 H148 N12 Ni4 O4 Si8 -","4","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0314","0.0263","","","0.0787","0.0856","","","","","","1.101","","","","has coordinates","251544","2020-10-21","18:00:00",""
"7126082","23.5957","0.0007","13.6797","0.0004","26.9113","0.0008","90","","101.433","0.001","90","","8514.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55.5 N4.5 Ni1.5 Si3 -","- C42 H55.5 N4.5 Ni1.5 Si3 -","- C336 H444 N36 Ni12 Si24 -","8","2","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0438","0.0341","","","0.0897","0.0958","","","","","","1.048","","","","has coordinates","251544","2020-10-21","18:00:00",""
"7126083","12.8801","0.001","14.0913","0.0011","17.4958","0.0013","81.586","0.002","77.019","0.003","84.657","0.003","3055","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H70 F6 N4 Ni2 O11 S2 -","- C62 H70 F6 N4 Ni2 O11 S2 -","- C124 H140 F12 N8 Ni4 O22 S4 -","2","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.055","0.0461","","","0.1162","0.1235","","","","","","1.035","","","","has coordinates,has disorder","251544","2020-10-21","18:00:00",""
"7126084","12.054","0.005","22.253","0.008","20.28","0.008","90","","93.554","0.005","90","","5429","4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 B N5 O2 Si2 Y -","- C55 H63 B N5 O2 Si2 Y -","- C220 H252 B4 N20 O8 Si8 Y4 -","4","1","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.0557","0.0339","","","0.0752","0.0841","","","","","","1.028","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126085","21.104","0.008","25.522","0.009","11.123","0.004","90","","90","","90","","5991","4","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C70 H68 B Ho N6 O2 -","- C70 H68 B Ho N6 O2 -","- C280 H272 B4 Ho4 N24 O8 -","4","1","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.034","0.0286","","","0.0597","0.0616","","","","","","1.045","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126086","13.665","0.002","14.335","0.002","17.329","0.003","95.521","0.002","108.465","0.002","90.85","0.002","3201.2","0.9","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H75 B Ho N8 O2 Si2 -","- C67 H75 B Ho N8 O2 Si2 -","- C134 H150 B2 Ho2 N16 O4 Si4 -","2","1","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.0367","0.0314","","","0.075","0.0779","","","","","","1.028","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126087","15.645","0.011","15.651","0.011","28.55","0.02","101.047","0.009","93.207","0.009","90.009","0.009","6850","8","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H73.5 B Ho N7 O2 -","- C75 H73.5 B Ho N7 O2 -","- C300 H294 B4 Ho4 N28 O8 -","4","2","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.0846","0.0664","","","0.1625","0.1713","","","","","","1.143","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126088","6.7672","0.0007","9.2017","0.001","15.1089","0.0011","81.431","0.007","82.868","0.007","80.818","0.009","913.54","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Br N O2 -","- C24 H14 Br N O2 -","- C48 H28 Br2 N2 O4 -","2","1","","Liu, Jing; Ba, Dan; Chen, Yanhui; Wen, Si; Cheng, Guolin","Synthesis of 3-(2-quinolyl) chromones from ynones and quinoline N-oxides via tandem reactions under transition metal- and additive-free conditions.","Chemical communications (Cambridge, England)","2020","56","29","4078","4081","10.1039/c9cc09460a","","","0.71073","MoKα","","0.1014","0.071","","","0.1675","0.1868","","","","","","0.952","","","","has coordinates","251542","2020-10-21","18:00:00",""
"7126089","9.3098","0.0015","10.3197","0.0017","18.503","0.003","90","","91.529","0.002","90","","1777","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Zhang, Cong-Hai; Huang, Rong; Qing, Xia; Lin, Jun; Yan, Sheng-Jiao","Cascade reaction of isatins with nitro-substituted enamines: highly selective synthesis of functionalized (Z)-3-(1-(arylamino)-2-oxoarylidene)indolin-2-ones.","Chemical communications (Cambridge, England)","2020","56","24","3488","3491","10.1039/d0cc00923g","","","0.71073","MoKα","","0.1567","0.0494","","","0.094","0.1189","","","","","","0.864","","","","has coordinates","250151","2020-10-21","18:00:00",""
"7126090","12.3092","0.0005","12.735","0.0005","20.557","0.0009","90","","92.955","0.001","90","","3218.2","0.2","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Mn2 N6 -","- C72 H94 Mn2 N6 -","- C144 H188 Mn4 N12 -","2","0.5","","Nguyen, Thao T.; Kim, Jun-Hyeong; Kim, Suyeon; Oh, Changjin; Flores, Marco; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Scope and mechanism of nitrile dihydroboration mediated by a β-diketiminate manganese hydride catalyst.","Chemical communications (Cambridge, England)","2020","56","28","3959","3962","10.1039/c9cc09921b","","","0.71073","MoKα","","0.062","0.0486","","","0.12","0.1269","","","","","","1.065","","","","has coordinates","251546","2020-10-21","18:00:00",""
"7126091","13.1968","0.0003","17.0333","0.0004","19.6066","0.0005","90","","101.946","0.001","90","","4311.82","0.18","170","2","170.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C240 H180 N12 -","6","1.5","","Zhang, Chi; Jiao, Tianyu; Tong, Lu; Wang, Hongye; Pan, Yuanjiang; Li, Hao","High yielding self-assembly favored by preorganization.","Chemical communications (Cambridge, England)","2020","56","27","3903","3906","10.1039/d0cc00898b","","","0.71073","MoKα","","0.1305","0.0778","","","0.1864","0.2185","","","","","","1.036","","","","has coordinates","250171","2020-10-21","18:00:00",""
"7126092","13.119","0.003","15.227","0.002","15.449","0.004","106.247","0.006","109.671","0.008","101.252","0.007","2643.3","1","170","2","169.95","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H53 Cl6 N3 -","- C62 H53 Cl6 N3 -","- C124 H106 Cl12 N6 -","2","1","","Zhang, Chi; Jiao, Tianyu; Tong, Lu; Wang, Hongye; Pan, Yuanjiang; Li, Hao","High yielding self-assembly favored by preorganization.","Chemical communications (Cambridge, England)","2020","56","27","3903","3906","10.1039/d0cc00898b","","","1.34139","GaKα","","0.1661","0.0743","","","0.1785","0.2282","","","","","","1.022","","","","has coordinates","250171","2020-10-21","18:00:00",""
"7126093","11.337","0.006","20.266","0.011","26.705","0.016","71.662","0.016","84.799","0.018","86.827","0.016","5798","6","170","2","169.98","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H54 Cl9 N3 -","- C63 H54 Cl9 N3 -","- C252 H216 Cl36 N12 -","4","2","","Zhang, Chi; Jiao, Tianyu; Tong, Lu; Wang, Hongye; Pan, Yuanjiang; Li, Hao","High yielding self-assembly favored by preorganization.","Chemical communications (Cambridge, England)","2020","56","27","3903","3906","10.1039/d0cc00898b","","","1.34139","GaKα","","0.2248","0.125","","","0.2868","0.3581","","","","","","0.821","","","","has coordinates","250171","2020-10-21","18:00:00",""
"7126094","13.4577","0.0003","13.4577","0.0003","20.3224","0.0004","90","","90","","120","","3187.48","0.12","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H48 Co8 K N8 O12 S2 -","- C26 H54 Co8 N8 O12 S3 -","- C78 H162 Co24 N24 O36 S9 -","3","0.166667","","Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming","Tetrahedral μ<sub>4</sub>-chloride and in situ generated octahedral μ<sub>6</sub>-sulfide templating Co<sub>8</sub> complexes with different distortions of the cube.","Chemical communications (Cambridge, England)","2020","56","30","4236","4239","10.1039/d0cc01320j","","","0.71073","MoKα","","0.048","0.0371","","","0.1199","0.1492","","","","","","1.242","","","","has coordinates","251569","2020-10-21","18:00:00",""
"7126095","14.8782","0.0008","14.8782","0.0008","16.9496","0.0009","90","","90","","120","","3249.3","0.3","296","2","296.15","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C26 H51 Cl4 Co8 N5 O12 -","- C26 H51 Cl4 Co8 N5 O12 -","- C78 H153 Cl12 Co24 N15 O36 -","3","0.166667","","Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming","Tetrahedral μ<sub>4</sub>-chloride and in situ generated octahedral μ<sub>6</sub>-sulfide templating Co<sub>8</sub> complexes with different distortions of the cube.","Chemical communications (Cambridge, England)","2020","56","30","4236","4239","10.1039/d0cc01320j","","","0.71073","MoKα","","0.0379","0.0284","","","0.0819","0.1198","","","","","","1.329","","","","has coordinates,has disorder","251569","2020-10-21","18:00:00",""
"7126096","25.0707","0.001","15.4308","0.0006","16.9537","0.0006","90","","105.921","0.001","90","","6307.1","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 Ce F12 K N6 O8 -","- C58 H71 Ce F12 K N6 O8 -","- C232 H284 Ce4 F48 K4 N24 O32 -","4","1","","Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.","Reactivity of Ce(iv) imido compounds with heteroallenes.","Chemical communications (Cambridge, England)","2020","56","35","4781","4784","10.1039/c9cc10052k","","","0.71073","MoKα","","0.0523","0.0395","","","0.0738","0.0789","","","","","","1.094","","","","has coordinates","251581","2020-10-21","18:00:00",""
"7126097","11.233","0.002","14.495","0.003","20.522","0.004","70.871","0.006","75.802","0.006","72.404","0.007","2969.3","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H124.5 Ce2 Cs2 F12 N14.5 O10 -","- C109 H124.5 Ce2 Cs2 F12 N14.5 O10 -","- C109 H124.5 Ce2 Cs2 F12 N14.5 O10 -","1","0.5","","Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.","Reactivity of Ce(iv) imido compounds with heteroallenes.","Chemical communications (Cambridge, England)","2020","56","35","4781","4784","10.1039/c9cc10052k","","","0.71073","MoKα","","0.0489","0.0379","","","0.1046","0.1119","","","","","","1.059","","","","has coordinates,has disorder","251581","2020-10-21","18:00:00",""
"7126098","32.651","0.006","17.14","0.003","23.603","0.004","90","","90","","90","","13209","4","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C118 H160 Ce2 F12 N12 O10 Rb2 -","- C118 H160 Ce2 F12 N12 O10 Rb2 -","- C472 H640 Ce8 F48 N48 O40 Rb8 -","4","0.5","","Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.","Reactivity of Ce(iv) imido compounds with heteroallenes.","Chemical communications (Cambridge, England)","2020","56","35","4781","4784","10.1039/c9cc10052k","","","0.71073","MoKα","","0.0648","0.0409","","","0.0988","0.1101","","","","","","1.029","","","","has coordinates","251581","2020-10-21","18:00:00",""
"7126099","10.1864","0.0003","25.6639","0.0009","12.2342","0.0004","90","","106.406","0.001","90","","3068.08","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 N2 O Re -","- C35 H47 N2 O Re -","- C140 H188 N8 O4 Re4 -","4","1","","Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John","Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.","Chemical communications (Cambridge, England)","2020","56","26","3761","3764","10.1039/c9cc09475j","","","0.7288","synchrotron","","0.0234","0.0211","","","0.0488","0.05","","","","","","1.035","","","","has coordinates","250174","2020-10-21","18:00:00",""
"7126100","13.0017","0.0005","17.4412","0.0005","13.855","0.0005","90","","98.992","0.004","90","","3103.22","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H47 N4 Re -","- C34 H47 N4 Re -","- C136 H188 N16 Re4 -","4","1","","Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John","Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.","Chemical communications (Cambridge, England)","2020","56","26","3761","3764","10.1039/c9cc09475j","","","0.71073","MoKα","","0.0461","0.0332","","","0.0686","0.0725","","","","","","1.058","","","","has coordinates","250174","2020-10-21","18:00:00",""
"7126101","9.4458","0.0005","19.0455","0.001","10.9694","0.0006","90","","106.664","0.002","90","","1890.52","0.18","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H56 N3 Re -","- C43 H57 N3 Re -","- C86 H114 N6 Re2 -","2","0.5","","Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John","Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.","Chemical communications (Cambridge, England)","2020","56","26","3761","3764","10.1039/c9cc09475j","","","0.7288","synchrotron","","0.0524","0.0521","","","0.1383","0.1388","","","","","","1.453","","","","has coordinates,has disorder","250174","2020-10-21","18:00:00",""
"7126102","10.1269","0.0003","13.1476","0.0002","29.1917","0.0006","97.319","0.001","96.976","0.002","111.49","0.002","3527.03","0.15","155","","155","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C156 H152 Cu2 F12 N8 O12 S4 -","2","1","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","1.54184","CuKα","","0.069","0.0609","","","0.1666","0.1883","","","","","","1.067","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126103","10.249","0.004","13.097","0.003","15.188","0.004","72.156","0.011","73.95","0.016","68.985","0.015","1779.4","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","1","0.5","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.081","0.0688","","","0.1793","0.1902","","","","","","1.033","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126104","11.743","0.003","13.021","0.004","15.225","0.004","72.071","0.01","85.436","0.01","89.509","0.012","2207.6","1.1","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C46 H36 Cu F6 N4 O6 S2 -","- C46 H36 Cu F6 N4 O6 S2 -","- C92 H72 Cu2 F12 N8 O12 S4 -","2","2","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.0745","0.0636","","","0.1659","0.172","","","","","","1.042","","","","has coordinates","248732","2020-10-21","18:00:00",""
"7126105","10.166","0.002","13.051","0.003","15.236","0.004","72.382","0.007","74.26","0.007","69.168","0.006","1770.1","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","1","0.5","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.0747","0.0617","","","0.1599","0.1708","","","","","","1.035","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126106","10.2443","0.0013","13.0741","0.0016","15.129","0.002","72.449","0.005","73.851","0.005","69.024","0.004","1770.7","0.4","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","1","0.5","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.0778","0.0653","","","0.167","0.1776","","","","","","1.023","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126107","11.3195","0.0007","22.5808","0.0011","23.2576","0.0014","90","","90","","90","","5944.7","0.6","200","0.1","200","0.1","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C12 H18 Ag3 F2 O2 S2 -","- C12 H18 Ag3 F2 O2 S2 -","- C96 H144 Ag24 F16 O16 S16 -","8","1","","Wang, Jia-Yin; Li, Wen-Hua; Wei, Zhong; Zhang, Chong; Li, Ya-Hui; Dong, Xi-Yan; Xu, Gang; Zang, Shuang-Quan","A hydrophobic semiconducting metal-organic framework assembled from silver chalcogenide wires.","Chemical communications (Cambridge, England)","2020","56","14","2091","2094","10.1039/c9cc08402a","","x-ray","1.54184","CuKα","","0.1384","0.1185","","","0.3038","0.3189","","","","","","1.092","","","","has coordinates,has disorder","248733","2020-10-21","18:00:00",""
"7126108","22.5463","0.0013","7.4089","0.0005","22.2178","0.0014","90","","109.269","0.004","90","","3503.4","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N4 -","- C46 H38 N4 -","- C184 H152 N16 -","4","1","","Chai, Danyang; Zeng, Xuan; Su, Xiaoxuan; Zhou, Changjiang; Zou, Yang; Zhong, Cheng; Gong, Shaolong; Yang, Chuluo","A simple and effective strategy to lock the quasi-equatorial conformation of acridine by H-H repulsion for highly efficient thermally activated delayed fluorescence emitters.","Chemical communications (Cambridge, England)","2020","56","15","2308","2311","10.1039/c9cc09769d","","","1.54178","CuKα","","0.116","0.0629","","","0.163","0.2062","","","","","","0.952","","","","has coordinates","248734","2020-10-21","18:00:00",""
"7126109","6.0216","0.0006","15.6695","0.0016","18.6718","0.0019","99.624","0.004","90.21","0.004","95.366","0.004","1729","0.3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H37 N5 -","- C45 H37 N5 -","- C90 H74 N10 -","2","1","","Chai, Danyang; Zeng, Xuan; Su, Xiaoxuan; Zhou, Changjiang; Zou, Yang; Zhong, Cheng; Gong, Shaolong; Yang, Chuluo","A simple and effective strategy to lock the quasi-equatorial conformation of acridine by H-H repulsion for highly efficient thermally activated delayed fluorescence emitters.","Chemical communications (Cambridge, England)","2020","56","15","2308","2311","10.1039/c9cc09769d","","","1.54178","CuKα","","0.0648","0.0484","","","0.125","0.14","","","","","","1.031","","","","has coordinates","248734","2020-10-21","18:00:00",""
"7126110","8.6142","0.0009","15.2562","0.0015","10.0113","0.001","90","","93.761","0.004","90","","1312.9","0.2","100","1","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 S2 -","- C26 H25 Br N2 O6 S2 -","- C52 H50 Br2 N4 O12 S4 -","2","1","","Wu, Ju; Abou-Hamdan, Hussein; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical synthesis of 3a-bromofuranoindolines and 3a-bromopyrroloindolines mediated by MgBr<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","11","1713","1716","10.1039/c9cc09276e","","x-ray","1.54178","CuKα","","0.0232","0.0227","","","0.0559","0.0562","","","","","","1.036","","","","has coordinates","248735","2020-10-21","18:00:00",""
"7126111","8.181","0.0002","11.7216","0.0004","11.8724","0.0003","104.188","0.002","93.217","0.002","108.402","0.003","1036.24","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H21 Bi Cl9 N3 -","- C6 H21 Bi Cl9 N3 -","- C12 H42 Bi2 Cl18 N6 -","2","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0616","0.0404","","","0.0865","0.0916","","","","","","1.014","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126112","8.3218","0.0002","12.1968","0.0003","12.2353","0.0004","104.697","0.002","108.11","0.002","93.253","0.002","1129.25","0.06","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H21 Bi Br6 Cl3 N3 -","- C6 H21 Bi Br6 Cl3 N3 -","- C12 H42 Bi2 Br12 Cl6 N6 -","2","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0736","0.0462","","","0.1056","0.1142","","","","","","1.03","","","","has coordinates,has disorder","248736","2020-10-21","18:00:00",""
"7126113","21.162","0.0015","7.9735","0.0005","11.8046","0.0007","90","","104.186","0.007","90","","1931.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 Bi Cl6 N3 -","- C6 H24 Bi Cl6 N3 -","- C24 H96 Bi4 Cl24 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0751","0.0577","","","0.135","0.1427","","","","","","1.051","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126114","22.52","0.002","8.2945","0.0005","12.1353","0.0011","90","","106.123","0.009","90","","2177.6","0.3","403","2","403","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H21 Bi Cl9 N3 -","- C6 H21 Bi Cl9 N3 -","- C24 H84 Bi4 Cl36 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0888","0.0619","","","0.1782","0.2138","","","","","","1.048","","","","has coordinates,has disorder","248736","2020-10-21","18:00:00",""
"7126115","11.773","0.0003","8.0673","0.0002","22.7281","0.0006","90","","103.72","0.002","90","","2097.04","0.09","170","2","170","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H24 Bi Br6 N3 -","- C6 H24 Bi Br6 N3 -","- C24 H96 Bi4 Br24 N12 -","4","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0816","0.0693","","","0.1751","0.1826","","","","","","1.035","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126116","22.444","0.003","8.1886","0.0008","11.9852","0.0014","90","","104.248","0.013","90","","2134.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 Bi Br6 N3 -","- C6 H24 Bi Br6 N3 -","- C24 H96 Bi4 Br24 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.1184","0.0597","","","0.1347","0.1646","","","","","","1.035","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126117","8.952","0.0003","29.5398","0.0008","11.8481","0.0004","90","","93.269","0.003","90","","3128.02","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Bi I6 N3 -","- C6 H24 Bi I6 N3 -","- C24 H96 Bi4 I24 N12 -","4","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.255","0.2278","","","0.623","0.6567","","","","","","1.037","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126118","26.2181","0.0014","8.6303","0.0004","13.2652","0.0007","90","","110.247","0.004","90","","2816.1","0.3","373","2","373","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 Bi Cl3 I6 N3 -","- C6 Bi Cl3 I6 N3 -","- C24 Bi4 Cl12 I24 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.1714","0.1628","","","0.5177","0.5364","","","","","","1.144","","","","has coordinates,has disorder","248736","2020-10-21","18:00:00",""
"7126119","8.5701","0.0001","12.4903","0.0002","12.9228","0.0002","103.943","0.001","108.815","0.001","93.035","0.001","1257.88","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 Bi Cl3 I6 N3 -","- C6 Bi Cl3 I6 N3 -","- C12 Bi2 Cl6 I12 N6 -","2","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0435","0.0369","","","0.0971","0.1098","","","","","","1.087","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126120","11.5267","0.0003","7.8653","0.0002","21.5333","0.0005","90","","103.831","0.002","90","","1895.62","0.08","170","2","170","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H24 Bi Cl6 N3 -","- C6 H24 Bi Cl6 N3 -","- C24 H96 Bi4 Cl24 N12 -","4","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0365","0.0282","","","0.0665","0.0684","","","","","","1.068","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126121","24.29","0.002","8.274","0.0007","12.4821","0.0009","90","","108.894","0.007","90","","2373.4","0.3","420","2","420","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H21 Bi Br6 Cl3 N3 -","- C6 H21 Bi Br6 Cl3 N3 -","- C24 H84 Bi4 Br24 Cl12 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.1209","0.0601","","","0.1672","0.1969","","","","","","0.964","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126122","8.346","0.004","9.916","0.004","13.969","0.006","86.705","0.012","77.173","0.011","71.341","0.014","1067.8","0.8","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N Si -","- C25 H24 Cl N Si -","- C50 H48 Cl2 N2 Si2 -","2","1","","Zeng, Ya-Li; Chen, Bo; Wang, Ya-Ting; He, Cheng-Yu; Mu, Zi-Yuan; Du, Ji-Yuan; He, Long; Chu, Wen-Dao; Liu, Quan-Zhong","Copper-catalyzed asymmetric silyl addition to alkenyl-substituted N-heteroarenes.","Chemical communications (Cambridge, England)","2020","56","11","1693","1696","10.1039/c9cc08910a","","","0.71073","MoKα","","0.0547","0.041","","","0.0952","0.1025","","","","","","1.0688","","","","has coordinates","248738","2020-10-21","18:00:00",""
"7126123","3.985","0.0002","20.546","0.0013","14.8477","0.001","90","","90","","90","","1215.67","0.13","293","","293","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- In3 La3 O3 S6 -","- In3 La3 O3 S6 -","- In12 La12 O12 S24 -","4","0.5","","Kabbour, Houria; Sayede, Adlane; Saitzek, Sébastien; Lefèvre, Gauthier; Cario, Laurent; Trentesaux, Martine; Roussel, Pascal","Structure of the water-splitting photocatalyst oxysulfide α-LaOInS<sub>2</sub> and ab initio prediction of new polymorphs.","Chemical communications (Cambridge, England)","2020","56","11","1645","1648","10.1039/c9cc09797j","powder diffraction","x-ray","1.54187","","","0.0213","0.0205","","0.0258","0.0257","","","","1.54","","","","","","","has coordinates","248739","2020-10-21","18:00:00",""
"7126124","38.272","0.003","12.8163","0.0008","10.858","0.001","90","","90","","90","","5325.9","0.7","293","2","293.15","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H13 N -","- C18 H13 N -","- C288 H208 N16 -","16","1","","Liu, Xiaobing; Sheng, Heyun; Zhou, Yao; Song, Qiuling","Palladium-catalyzed C-H bond activation for the assembly of N-aryl carbazoles with aromatic amines as nitrogen sources.","Chemical communications (Cambridge, England)","2020","56","11","1665","1668","10.1039/c9cc09493h","","x-ray","0.71073","MoKα","","0.0924","0.0508","","","0.0918","0.1077","","","","","","1.036","","","","has coordinates","248740","2020-10-21","18:00:00",""
"7126125","9.0542","0.0004","12.4973","0.0006","18.9834","0.0007","90","","90","","90","","2148.03","0.16","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Liu, Xiaobing; Sheng, Heyun; Zhou, Yao; Song, Qiuling","Palladium-catalyzed C-H bond activation for the assembly of N-aryl carbazoles with aromatic amines as nitrogen sources.","Chemical communications (Cambridge, England)","2020","56","11","1665","1668","10.1039/c9cc09493h","","x-ray","0.71073","MoKα","","0.0798","0.0482","","","0.0816","0.0913","","","","","","1.041","","","","has coordinates","248740","2020-10-21","18:00:00",""
"7126126","12.3667","0.0001","16.1708","0.0002","15.3924","0.0002","90","","108.863","0.001","90","","2912.85","0.06","170","0.1","170","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H36 O2 -","- C42 H36 O2 -","- C168 H144 O8 -","4","0.5","","Lin, Wei-Bin; He, Dong-Qiang; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Sign inversions of circularly polarized luminescence for helical compounds by chemically fine-tuning operations.","Chemical communications (Cambridge, England)","2020","56","12","1863","1866","10.1039/c9cc08573d","","x-ray","1.54184","CuKα","","0.0439","0.0398","","","0.1032","0.1088","","","","","","1.07","","","","has coordinates","248741","2020-10-21","18:00:00",""
"7126127","12.4619","0.0003","16.5737","0.0004","15.2124","0.0003","90","","103.676","0.002","90","","3052.89","0.12","299.9","0.3","299.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 Cl2 O2 -","- C40 H30 Cl2 O2 -","- C160 H120 Cl8 O8 -","4","0.5","","Lin, Wei-Bin; He, Dong-Qiang; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Sign inversions of circularly polarized luminescence for helical compounds by chemically fine-tuning operations.","Chemical communications (Cambridge, England)","2020","56","12","1863","1866","10.1039/c9cc08573d","","x-ray","1.54184","CuKα","","0.0528","0.048","","","0.1384","0.1445","","","","","","1.093","","","","has coordinates","248741","2020-10-21","18:00:00",""
"7126128","20.7974","0.0009","34.3196","0.0013","24.2844","0.0009","90","","90","","90","","17333.2","1.2","100","0.1","100","0.1","","","","","","","","5","C m m m","-C 2 2","65","","","","- C108 H68 N4 O40 Zr6 -","- C108 H68 N4 O40 Zr6 -","- C216 H136 N8 O80 Zr12 -","2","0.125","","Mallick, Arijit; Liang, Hanfeng; Shekhah, Osama; Jia, Jiangtao; Mouchaham, Georges; Shkurenko, Aleksander; Belmabkhout, Youssef; Alshareef, Husam N.; Eddaoudi, Mohamed","Made-to-order porous electrodes for supercapacitors: MOFs embedded with redox-active centers as a case study.","Chemical communications (Cambridge, England)","2020","56","12","1883","1886","10.1039/c9cc08860a","","","1.54178","CuKα","","0.0621","0.0517","","","0.1716","0.1767","","","","","","1.063","","","","has coordinates,has disorder","248742","2020-10-21","18:00:00",""
"7126129","12.9113","0.0004","13.8869","0.0004","16.5533","0.0003","102.178","0.002","91.521","0.002","97.504","0.002","2871.85","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H65 Cl9 N14 O2 -","- C49 H65 Cl9 N14 O2 -","- C98 H130 Cl18 N28 O4 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.1015","0.0662","","","0.1639","0.1928","","","","","","1.03","","","","has coordinates,has disorder","248743","2020-10-21","18:00:00",""
"7126130","10.8092","0.0004","14.1679","0.0006","17.2034","0.0007","78.408","0.004","86.646","0.003","86.284","0.003","2572.64","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 F6 N12 O2 -","- C56 H54 F6 N12 O2 -","- C112 H108 F12 N24 O4 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","1.54184","CuKα","","0.0764","0.0566","","","0.1514","0.1705","","","","","","1.024","","","","has coordinates,has disorder","248743","2020-10-21","18:00:00",""
"7126131","10.7643","0.0006","14.0058","0.0006","15.9242","0.0008","89.704","0.004","78.054","0.004","67.659","0.005","2165.3","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Cl2 N12 O2 -","- C44 H54 Cl2 N12 O2 -","- C88 H108 Cl4 N24 O4 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","1.54184","CuKα","","0.0599","0.0511","","","0.138","0.1493","","","","","","1.02","","","","has coordinates,has disorder","248743","2020-10-21","18:00:00",""
"7126132","10.3164","0.0004","15.7661","0.0006","18.2979","0.0006","68.115","0.003","89.376","0.003","87.542","0.003","2759.08","0.18","132","4","132","4","","","","","","","","5","P -1","-P 1","2","","","","- C50 H60 Cl8 N12 O2 -","- C50 H60 Cl8 N12 O2 -","- C100 H120 Cl16 N24 O4 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.0659","0.0461","","","0.1131","0.131","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7126133","9.8856","0.0006","10.418","0.0005","42.5525","0.0016","90","","90","","90","","4382.4","0.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H31 N7 O -","- C22 H31 N7 O -","- C176 H248 N56 O8 -","8","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.2098","0.0836","","","0.1581","0.2206","","","","","","0.981","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126134","11.2953","0.0014","11.412","0.001","13.0664","0.0013","70.404","0.009","73.213","0.01","70.603","0.01","1466.5","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N6 O -","- C34 H36 N6 O -","- C68 H72 N12 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","","0.71073","MoKα","","0.1305","0.0717","","","0.1428","0.1931","","","","","","1.042","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126135","9.1544","0.0003","10.8644","0.0004","15.5035","0.0005","72.725","0.003","84.894","0.003","83.984","0.003","1461.55","0.09","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cl N6 O -","- C33 H33 Cl N6 O -","- C66 H66 Cl2 N12 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","","0.7107","MoKα","","0.0586","0.0414","","","0.0886","0.0982","","","","","","1.039","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126136","6.7885","0.0004","7.9643","0.0004","26.039","0.002","90","","94.113","0.006","90","","1404.19","0.15","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H35 N7 O -","- C32 H35 N7 O -","- C64 H70 N14 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.1017","0.0799","","","0.1706","0.1845","","","","","","1.068","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126137","6.3741","0.0008","9.3723","0.0012","24.838","0.002","83.121","0.009","85.819","0.009","79.949","0.01","1448.5","0.3","132","3","132","3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H37 N7 O -","- C32 H37 N7 O -","- C64 H74 N14 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.0984","0.0658","","","0.1458","0.1622","","","","","","1.086","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7126138","9.0985","0.0003","10.3538","0.0003","30.3383","0.001","90","","97.525","0.003","90","","2833.38","0.16","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N6 O -","- C33 H33 Cl N6 O -","- C132 H132 Cl4 N24 O4 -","4","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","","0.71073","MoKα","","0.1223","0.113","","","0.3278","0.3461","","","","","","1.439","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126139","9.8002","0.0003","15.121","0.0005","19.4804","0.0007","90","","90.374","0.003","90","","2886.72","0.17","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl N7 O -","- C30 H32 Cl N7 O -","- C120 H128 Cl4 N28 O4 -","4","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","1.54184","CuKα","","0.0496","0.0444","","","0.1221","0.127","","","","","","1.037","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126140","6.449","0.003","10.347","0.006","13.623","0.008","85.979","0.013","84.125","0.013","82.722","0.016","895.5","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H58 N4 -","- C42 H58 N4 -","- C42 H58 N4 -","1","0.5","","Guo, Jing; Cheong, Odelia; Bamford, Karlee L.; Zhou, Jiliang; Stephan, Douglas W.","Frustrated Lewis pair-catalyzed double hydroarylation of alkynes with N-substituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","12","1855","1858","10.1039/c9cc08654d","","","0.71073","MoKα","","0.1065","0.0462","","","0.085","0.0977","","","","","","0.8225","","","","has coordinates","248744","2020-10-21","18:00:00",""
"7126141","10.782","0.005","13.431","0.006","15.604","0.008","90","","97.24","0.03","90","","2241.6","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Br2 N4 -","- C48 H62 Br2 N4 -","- C96 H124 Br4 N8 -","2","0.5","","Guo, Jing; Cheong, Odelia; Bamford, Karlee L.; Zhou, Jiliang; Stephan, Douglas W.","Frustrated Lewis pair-catalyzed double hydroarylation of alkynes with N-substituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","12","1855","1858","10.1039/c9cc08654d","","","0.71073","MoKα","","0.0844","0.0477","","","0.1199","0.1429","","","","","","1.0363","","","","has coordinates","248744","2020-10-21","18:00:00",""
"7126142","9.759","0.006","14.912","0.01","14.143","0.009","90","","104.115","0.006","90","","1996","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 I N2 -","- C23 H23 I N2 -","- C92 H92 I4 N8 -","4","1","","Elhussin, Imad Elddin Haj; Zhang, Sijing; Liu, Jiejie; Li, Dandan; Zhang, Qiong; Li, Shengli; Tian, Xiaohe; Wu, Jieying; Tian, Yupeng","A novel water-soluble quinoline-indole derivative as a three-photon fluorescent probe for identifying nucleolus RNA and mitochondrial DNA.","Chemical communications (Cambridge, England)","2020","56","12","1859","1862","10.1039/c9cc09640j","","","0.71073","MoKα","","0.0344","0.0314","","","0.0837","0.0862","","","","","","1.08","","","","has coordinates","248745","2020-10-21","18:00:00",""
"7126143","10.532","0.002","13.748","0.003","14.154","0.003","90","","92.091","0.002","90","","2048","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C92 H96 N8 O16 S4 -","4","1","","Elhussin, Imad Elddin Haj; Zhang, Sijing; Liu, Jiejie; Li, Dandan; Zhang, Qiong; Li, Shengli; Tian, Xiaohe; Wu, Jieying; Tian, Yupeng","A novel water-soluble quinoline-indole derivative as a three-photon fluorescent probe for identifying nucleolus RNA and mitochondrial DNA.","Chemical communications (Cambridge, England)","2020","56","12","1859","1862","10.1039/c9cc09640j","","","0.71073","MoKα","","0.0526","0.0422","","","0.1087","0.1162","","","","","","1.041","","","","has coordinates","248745","2020-10-21","18:00:00",""
"7126144","14.7356","0.0003","5.75805","0.00013","24.963","0.0005","90","","90","","90","","2118.07","0.08","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Cl N O -","- C14 H8 Cl N O -","- C112 H64 Cl8 N8 O8 -","8","1","","Shan, Xiang-Huan; Yang, Bo; Qu, Jian-Ping; Kang, Yan-Biao","CuSO<sub>4</sub>-Catalyzed dual annulation to synthesize O, S or N-containing tetracyclic heteroacenes.","Chemical communications (Cambridge, England)","2020","56","29","4063","4066","10.1039/d0cc01172j","","","1.54184","CuKα","","0.0398","0.0379","","","0.0996","0.1019","","","","","","1.071","","","","has coordinates","251540","2020-10-21","18:00:00",""
"7126145","8.28779","0.00011","5.59996","0.0001","24.2843","0.0004","90","","90","","90","","1127.07","0.03","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 Br N O -","- C14 H8 Br N O -","- C56 H32 Br4 N4 O4 -","4","1","","Shan, Xiang-Huan; Yang, Bo; Qu, Jian-Ping; Kang, Yan-Biao","CuSO<sub>4</sub>-Catalyzed dual annulation to synthesize O, S or N-containing tetracyclic heteroacenes.","Chemical communications (Cambridge, England)","2020","56","29","4063","4066","10.1039/d0cc01172j","","","1.54184","CuKα","","0.0307","0.0305","","","0.0831","0.0833","","","","","","1.044","","","","has coordinates","251540","2020-10-21","18:00:00",""
"7126146","9.1724","0.0002","11.6412","0.0003","22.267","0.0006","90","","90","","90","","2377.62","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N2 O2 P -","- C28 H29 N2 O2 P -","- C112 H116 N8 O8 P4 -","4","1","","Lundrigan, Travis; Tien, Chieh-Hung; Robertson, Katherine N.; Speed, Alexander W. H.","Air and water stable secondary phosphine oxides as diazaphospholene precatalysts.","Chemical communications (Cambridge, England)","2020","56","58","8027","8030","10.1039/d0cc01072c","","","1.54178","CuKα","","0.0367","0.0365","","","0.0955","0.0955","","","","","","1.158","","","","has coordinates,has disorder","254870","2020-10-21","18:00:00",""
"7126147","14.2375","0.001","4.3802","0.0003","15.0293","0.0014","90","","104.466","0.009","90","","907.56","0.13","100.03","0.11","100.03","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.58824 H2.47059 N0.352941 O0.235294 -","- C44 H42 N6 O4 -","17","8.5","","Hossain, Munshi Sahid; Rahaman, Sk Atiur; Hatai, Joydev; Saha, Monochura; Bandyopadhyay, Subhajit","Switching the recognition ability of a photoswitchable receptor towards phosphorylated anions.","Chemical communications (Cambridge, England)","2020","56","30","4172","4175","10.1039/d0cc00926a","","x-ray","0.71073","MoKα","","0.0644","0.0553","","","0.1231","0.1287","","","","","","1.097","","","","has coordinates","251567","2020-10-21","18:00:00",""
"7126148","11.7556","0.0009","13.9168","0.0008","14.9786","0.001","97.472","0.005","106.582","0.006","110.609","0.006","2124.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C2.933 H3.067 Cl0.133 N0.4 O0.867 -","- C2.93333 H3.06667 Cl0.133333 N0.4 O0.866667 -","- C88 H92 Cl4 N12 O26 -","30","15","","Hossain, Munshi Sahid; Rahaman, Sk Atiur; Hatai, Joydev; Saha, Monochura; Bandyopadhyay, Subhajit","Switching the recognition ability of a photoswitchable receptor towards phosphorylated anions.","Chemical communications (Cambridge, England)","2020","56","30","4172","4175","10.1039/d0cc00926a","","x-ray","0.71073","MoKα","","0.0932","0.0645","","","0.1457","0.1637","","","","","","1.1201","","","","has coordinates","251567","2020-10-21","18:00:00",""
"7126149","8.8208","0.0005","11.9769","0.0012","14.7126","0.0009","90","","90","","90","","1554.3","0.2","293","2","293","2","","","","","","","From datablock 20190366","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Zhao, Sihan; Cheng, Shaobing; Liu, Hui; Zhang, Jiayan; Liu, Min; Yuan, Weicheng; Zhang, Xiaomei","Synthesis of chiral [2,3]-fused indolines through enantioselective dearomatization inverse-electron-demand Diels-Alder reaction/oxidation of indoles with 2-(2-nitrovinyl)-1,4-benzoquinone.","Chemical communications (Cambridge, England)","2020","56","30","4200","4203","10.1039/d0cc00693a","","","1.54184","CuKα","","0.0493","0.0434","","","0.1111","0.1181","","","","","","1.033","","","","has coordinates","282922","2023-04-29","19:21:52",""
"7126150","8.8208","0.0005","11.9769","0.0012","14.7126","0.0009","90","","90","","90","","1554.3","0.2","293","2","293","2","","","","","","","From datablock 20190366_CCDC1","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Zhao, Sihan; Cheng, Shaobing; Liu, Hui; Zhang, Jiayan; Liu, Min; Yuan, Weicheng; Zhang, Xiaomei","Synthesis of chiral [2,3]-fused indolines through enantioselective dearomatization inverse-electron-demand Diels-Alder reaction/oxidation of indoles with 2-(2-nitrovinyl)-1,4-benzoquinone.","Chemical communications (Cambridge, England)","2020","56","30","4200","4203","10.1039/d0cc00693a","","x-ray","1.54184","CuKα","","0.0493","0.0434","","","0.1111","0.1181","","","","","","1.033","","","","has coordinates","282922","2023-04-29","19:21:52",""
"7126151","17.7788","0.0004","19.721","0.0003","15.0786","0.0002","90","","90","","90","","5286.79","0.16","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H33 F6 N2 O9 P -","- C19 H33 F6 N2 O9 P -","- C152 H264 F48 N16 O72 P8 -","8","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","","1.54178","CuKα","","0.0988","0.0867","","","0.2941","0.3198","","","","","","1.009","","","","has coordinates,has disorder","251539","2020-10-21","18:00:00",""
"7126152","16.774","0.003","20","0.003","15.122","0.003","90","","90","","90","","5073.1","1.6","213","2","213","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H33 F6 N2 O9 P -","- C19 H33 F6 N2 O9 P -","- C152 H264 F48 N16 O72 P8 -","8","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","","1.54178","CuKα","","0.056","0.0536","","","0.1531","0.1568","","","","","","1.098","","","","has coordinates,has disorder","251539","2020-10-21","18:00:00",""
"7126153","10.0129","0.0003","18.4433","0.0005","14.9448","0.0003","90","","98.44","0.002","90","","2729.98","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N2 O12 S -","- C20 H33 F3 N2 O12 S -","- C80 H132 F12 N8 O48 S4 -","4","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","x-ray","1.54184","CuKα","","0.0741","0.0685","","","0.2038","0.211","","","","","","1.081","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7126154","20.31807","0.00019","17.85897","0.00016","14.6402","0.00012","90","","96.2561","0.0008","90","","5280.7","0.08","212.99","0.1","212.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N2 O12 S -","- C20 H33 F3 N2 O12 S -","- C160 H264 F24 N16 O96 S8 -","8","2","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","x-ray","1.54184","CuKα","","0.0502","0.0452","","","0.1235","0.1294","","","","","","1.028","","","","has coordinates","251539","2020-10-21","18:00:00",""
"7126155","7.6529","0.0005","4.0559","0.0003","9.1405","0.0006","90","","113.758","0.002","90","","259.67","0.03","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","SrOCuBiSe2","","- Bi Cu O Se2 Sr -","- Bi Cu O Se2 Sr -","- Bi2 Cu2 O2 Se4 Sr2 -","2","0.5","","Luo, Mengjia; Bu, Kejun; Zhang, Xian; Huang, Jian; Wang, Ruiqi; Huang, Fuqiang","Intrinsically low thermal conductivity in a p-type semiconductor SrOCuBiSe<sub>2</sub> with a [SrO]-intercalated CuBiSe<sub>2</sub> structure.","Chemical communications (Cambridge, England)","2020","56","31","4356","4359","10.1039/d0cc00035c","","","0.71073","MoKα","","0.0448","0.0444","","","0.1086","0.1093","","","","","","1.161","","","","has coordinates","251572","2020-10-21","18:00:00",""
"7126156","13.4901","0.0016","13.2578","0.0016","30.134","0.004","90","","90","","90","","5389.4","1.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl Mn N5 O3 -","- C29 H27 Cl Mn N5 O3 -","- C232 H216 Cl8 Mn8 N40 O24 -","8","1","","Liu, Yi; Guo, Jin-Han; Dao, Xiao-Yao; Zhang, Xiu-Du; Zhao, Yue; Sun, Wei-Yin","Coordination polymers with a pyridyl-salen ligand for photocatalytic carbon dioxide reduction.","Chemical communications (Cambridge, England)","2020","56","29","4110","4113","10.1039/d0cc00425a","","","0.71073","MoKα","","0.0606","0.0456","","","0.1125","0.1201","","","","","","1.042","","","","has coordinates","251538","2020-10-21","18:00:00",""
"7126157","13.4819","0.0005","13.3393","0.0005","30.1323","0.0013","90","","90","","90","","5419","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl Fe N5 O3 -","- C29 H27 Cl Fe N5 O3 -","- C232 H216 Cl8 Fe8 N40 O24 -","8","1","","Liu, Yi; Guo, Jin-Han; Dao, Xiao-Yao; Zhang, Xiu-Du; Zhao, Yue; Sun, Wei-Yin","Coordination polymers with a pyridyl-salen ligand for photocatalytic carbon dioxide reduction.","Chemical communications (Cambridge, England)","2020","56","29","4110","4113","10.1039/d0cc00425a","","","0.71073","MoKα","","0.0445","0.0331","","","0.0948","0.1004","","","","","","1.238","","","","has coordinates","251538","2020-10-21","18:00:00",""
"7126158","9.3757","0.001","10.4164","0.0009","25.134","0.003","90","","93.912","0.004","90","","2448.9","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","RK-189","","- C14 H26 Cl O6 P Si3 W -","- C14 H26 Cl O6 P Si3 W -","- C56 H104 Cl4 O24 P4 Si12 W4 -","4","1","","Kunzmann, Robert; Omatsu, Yamato; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Yanagisawa, Tatsuya; Tokitoh, Norihiro; Streubel, Rainer","A synthetic equivalent for unknown 1,3-zwitterions? - A K/OR phosphinidenoid complex with an additional Si-Cl function.","Chemical communications (Cambridge, England)","2020","56","27","3899","3902","10.1039/d0cc00024h","","","0.71073","MoKα","","0.08","0.0569","","","0.0871","0.0962","","","","","","1.111","","","","has coordinates","250172","2020-10-21","18:00:00",""
"7126159","15.8672","0.0011","16.5104","0.0011","22.0806","0.0015","90","","91.193","0.003","90","","5783.3","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","RK-485","","- C17 H34 N O6 P Si4 W -","- C17 H34 N O6 P Si4 W -","- C136 H272 N8 O48 P8 Si32 W8 -","8","2","","Kunzmann, Robert; Omatsu, Yamato; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Yanagisawa, Tatsuya; Tokitoh, Norihiro; Streubel, Rainer","A synthetic equivalent for unknown 1,3-zwitterions? - A K/OR phosphinidenoid complex with an additional Si-Cl function.","Chemical communications (Cambridge, England)","2020","56","27","3899","3902","10.1039/d0cc00024h","","","0.71073","MoKα","","0.0316","0.0237","","","0.0513","0.0542","","","","","","1.016","","","","has coordinates,has disorder","250172","2020-10-21","18:00:00",""
"7126160","9.9978","0.0004","13.3597","0.0005","21.3413","0.0009","90","","90","","90","","2850.5","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","RK-459","","- C19 H34 N O7 P Si3 W -","- C19 H34 N O7 P Si3 W -","- C76 H136 N4 O28 P4 Si12 W4 -","4","1","","Kunzmann, Robert; Omatsu, Yamato; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Yanagisawa, Tatsuya; Tokitoh, Norihiro; Streubel, Rainer","A synthetic equivalent for unknown 1,3-zwitterions? - A K/OR phosphinidenoid complex with an additional Si-Cl function.","Chemical communications (Cambridge, England)","2020","56","27","3899","3902","10.1039/d0cc00024h","","","0.71073","MoKα","","0.0196","0.0175","","","0.0363","0.0371","","","","","","1.041","","","","has coordinates","250172","2020-10-21","18:00:00",""
"7126161","9.7751","0.0005","11.1664","0.0008","11.1677","0.0009","109.183","0.007","114.745","0.006","90.306","0.005","1030.98","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cd N2 O6 -","- C25 H17 Cd N2 O6 -","- C50 H34 Cd2 N4 O12 -","2","1","","Yang, Xiao-Dong; Ma, Mei-Jing; Pang, Xin-Zhu; Chen, Yun-Rui; Rooney, David; Zhang, Jie","Synergism of photocycloaddition and photoinduced electron transfer for multi-state responsive materials with high-stability and reversibility.","Chemical communications (Cambridge, England)","2020","56","29","4126","4129","10.1039/d0cc00999g","","","0.71073","MoKα","","0.061","0.0567","","","0.141","0.1448","","","","","","1.066","","","","has coordinates","251543","2020-10-21","18:00:00",""
"7126162","9.7751","0.0005","11.1664","0.0008","11.1677","0.0009","109.183","0.007","114.745","0.006","90.306","0.005","1030.98","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cd N2 O6 -","- C25 H17 Cd N2 O6 -","- C50 H34 Cd2 N4 O12 -","2","1","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","0.71073","MoKα","","0.061","0.0567","","","0.141","0.1448","","","","","","1.066","","","","has coordinates","251566","2020-10-21","18:00:00",""
"7126163","19.9307","0.0006","14.7178","0.0004","20.3785","0.0006","90","","110.812","0.0005","90","","5587.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 Au B2 K O8 P2 -","- C55 H82 Au B2 K O8 P2 -","- C220 H328 Au4 B8 K4 O32 P8 -","4","1","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0212","0.0186","","","0.0446","0.0457","","","","","","1.039","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126164","11.3469","0.0011","13.0442","0.0013","21.464","0.002","103.942","0.0014","95.7811","0.0014","101.004","0.0015","2990.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H88 Au B2 K O7 P2 -","- C61 H88 Au B2 K O7 P2 -","- C122 H176 Au2 B4 K2 O14 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0715","0.0509","","","0.1149","0.1245","","","","","","1.058","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126165","14.6392","0.0019","45.535","0.006","23.842","0.003","90","","96.0286","0.0016","90","","15805","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.12 H112.34 Au B2 K O11.15 P2 -","- C79.123 H112.335 Au B2 K O11.149 P2 -","- C632.984 H898.68 Au8 B16 K8 O89.192 P16 -","8","2","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0837","0.0609","","","0.1362","0.1472","","","","","","1.041","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126166","10.0837","0.0002","14.1067","0.0002","18.4824","0.0003","81.7553","0.0005","84.4017","0.0005","73.8383","0.0005","2494.48","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H72 Au B2 K O8 P2 -","- C50 H72 Au B2 K O8 P2 -","- C100 H144 Au2 B4 K2 O16 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0154","0.0149","","","0.037","0.0372","","","","","","1.078","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126167","11.269","0.002","9.848","0.002","14.466","0.003","90","","91.16","0.03","90","","1605.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dried-Cobalt Formate","","- C6 H6 Co3 O12 -","- C6 H6 Co3 O12 -","- C24 H24 Co12 O48 -","4","1","","Song, Yoodae; Khudozhitkov, Alexander E.; Lee, Jihyun; Kang, Hyosik; Kolokolov, Daniil I.; Stepanov, Alexander G.; Yoon, Minyoung","Transformation of a proton insulator to a conductor via reversible amorphous to crystalline structure transformation of MOFs.","Chemical communications (Cambridge, England)","2020","56","32","4468","4471","10.1039/d0cc00755b","","","0.63","synchrotron","","0.0368","0.0314","","","0.0844","0.0869","","","","","","1.019","","","","has coordinates","251557","2020-10-21","18:00:00",""
"7126168","11.35","0.002","9.864","0.002","14.566","0.003","90","","91.4","0.03","90","","1630.3","0.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dried-Magnesium Formate","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Song, Yoodae; Khudozhitkov, Alexander E.; Lee, Jihyun; Kang, Hyosik; Kolokolov, Daniil I.; Stepanov, Alexander G.; Yoon, Minyoung","Transformation of a proton insulator to a conductor via reversible amorphous to crystalline structure transformation of MOFs.","Chemical communications (Cambridge, England)","2020","56","32","4468","4471","10.1039/d0cc00755b","","","0.70001","synchrotron","","0.0601","0.0516","","","0.1523","0.1575","","","","","","1.125","","","","has coordinates","251557","2020-10-21","18:00:00",""
"7126169","9.0803","0.0011","21.343","0.003","21.376","0.003","90","","99.849","0.005","90","","4081.6","1","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 P -","- C28 H19 P -","- C224 H152 P8 -","8","2","","Xing, Chang; Liu, Jianxun; Chen, Fang; Li, Yuanyuan; Lv, Changjian; Peng, Qiuchen; Hou, Hongwei; Li, Kai","Diphenyl-1-pyrenylphosphine: photo-triggered AIE/ACQ transition with remarkable third-order nonlinear optical signal change.","Chemical communications (Cambridge, England)","2020","56","30","4220","4223","10.1039/d0cc01031f","","","0.71073","MoKα","","0.0999","0.0527","","","0.1229","0.145","","","","","","1.034","","","","has coordinates","251564","2020-10-21","18:00:00",""
"7126170","9.042","0.01","21.62","0.03","21.34","0.03","90","","100.14","0.03","90","","4107","9","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 O P -","- C28 H19 O P -","- C224 H152 O8 P8 -","8","2","","Xing, Chang; Liu, Jianxun; Chen, Fang; Li, Yuanyuan; Lv, Changjian; Peng, Qiuchen; Hou, Hongwei; Li, Kai","Diphenyl-1-pyrenylphosphine: photo-triggered AIE/ACQ transition with remarkable third-order nonlinear optical signal change.","Chemical communications (Cambridge, England)","2020","56","30","4220","4223","10.1039/d0cc01031f","","","0.71073","MoKα","","0.1637","0.0643","","","0.1155","0.1438","","","","","","1.016","","","","has coordinates","251564","2020-10-21","18:00:00",""
"7126171","10.8463","0.0002","20.3999","0.0004","21.4989","0.0004","90","","90","","90","","4756.92","0.16","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H41 F8 N5 O Ru -","- C60 H41 F8 N5 O Ru -","- C240 H164 F32 N20 O4 Ru4 -","4","1","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","x-ray","1.54178","CuKα","","0.0387","0.038","","","0.1019","0.1027","","","","","","1.051","","","","has coordinates","251556","2020-10-21","18:00:00",""
"7126172","28.865","0.004","12.4422","0.0014","18.7711","0.0019","90","","128.307","0.004","90","","5290.1","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 F8 N6 Ru -","- C64 H54 F8 N6 Ru -","- C256 H216 F32 N24 Ru4 -","4","0.5","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","","1.54178","CuKα","","0.0778","0.0533","","","0.1321","0.1452","","","","","","1.043","","","","has coordinates","251556","2020-10-21","18:00:00",""
"7126173","12.6211","0.0004","12.9645","0.0004","17.2046","0.0005","90","","90","","90","","2815.12","0.15","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C66 H44 F8 N6 Ru -","- C65.994 H43.994 F8 N6 Ru -","- C131.988 H87.988 F16 N12 Ru2 -","2","0.25","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","x-ray","1.54178","CuKα","","0.0675","0.0606","","","0.1683","0.1787","","","","","","1.073","","","","has coordinates,has disorder","251556","2020-10-21","18:00:00",""
"7126174","38.2","0.005","38.2","0.005","46.77","0.009","90","","90","","90","","68249","18","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C648 H540 Cl0 Eu8 N96 O48 -","- C648 H540 Eu8 N96 O48 -","- C1296 H1080 Eu16 N192 O96 -","2","0.25","","Li, Xiao-Zhen; Zhou, Li-Peng; Hu, Shao-Jun; Cai, Li-Xuan; Guo, Xiao-Qing; Wang, Zhuo; Sun, Qing-Fu","Metal ion adaptive self-assembly of photoactive lanthanide-based supramolecular hosts.","Chemical communications (Cambridge, England)","2020","56","32","4416","4419","10.1039/d0cc00936a","","","0.65253","Synchrotron","","0.1177","0.0857","","","0.2564","0.2962","","","","","","1.118","","","","has coordinates","251552","2020-10-21","18:00:00",""
"7126175","10.8529","0.0009","12.6448","0.0014","13.8015","0.0011","90","","90","","90","","1894","0.3","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","N,N'-Diacetyl-N,N'-di(4-trifluoromethylphenyl)-hydrazine","","- C18 H14 F6 N2 O2 -","- C18 H14 F6 N2 O2 -","- C72 H56 F24 N8 O8 -","4","0.5","","Breising, Valentina M.; Kayser, Jacob M.; Kehl, Anton; Schollmeyer, Dieter; Liermann, Johannes C.; Waldvogel, Siegfried R.","Electrochemical formation of N,N'-diarylhydrazines by dehydrogenative N-N homocoupling reaction.","Chemical communications (Cambridge, England)","2020","56","31","4348","4351","10.1039/d0cc01052a","","","0.71073","MoKα","","0.0971","0.0557","","","0.1052","0.1227","","","","","","1.133","","","","has coordinates,has disorder","251576","2020-10-21","18:00:00",""
"7126176","12.071","0.002","33.798","0.007","11.609","0.002","90","","90","","90","","4736.2","1.5","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C51 H39 N6 O16 Tb2 -","- C51 H39 N6 O16 Tb2 -","- C204 H156 N24 O64 Tb8 -","4","1","","Yue, Dan; Wang, Yanyan; Chen, Dong; Wang, Zhenling","Solvent triggering structural changes for two terbium-based metal-organic frameworks and their photoluminescence sensing.","Chemical communications (Cambridge, England)","2020","56","31","4320","4323","10.1039/d0cc00353k","","","0.71073","MoKα","","0.0551","0.0395","","","0.0846","0.0957","","","","","","1.05","","","","has coordinates","251575","2020-10-21","18:00:00",""
"7126177","17.4278","0.0005","12.1359","0.0003","7.4214","0.0002","90","","92.644","0.001","90","","1567.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N2 O6 Tb -","- C18 H11 N2 O6 Tb -","- C72 H44 N8 O24 Tb4 -","4","1","","Yue, Dan; Wang, Yanyan; Chen, Dong; Wang, Zhenling","Solvent triggering structural changes for two terbium-based metal-organic frameworks and their photoluminescence sensing.","Chemical communications (Cambridge, England)","2020","56","31","4320","4323","10.1039/d0cc00353k","","","0.71073","MoKα","","0.0311","0.0245","","","0.0654","0.0848","","","","","","1.107","","","","has coordinates","251575","2020-10-21","18:00:00",""
"7126178","22.3365","0.0005","22.3365","0.0005","9.9167","0.0002","90","","90","","90","","4947.63","0.19","296","","296","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C30 H16 N6 -","- C15 H8 N3 -","- C240 H128 N48 -","16","1","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.0626","0.0623","","","0.1996","0.2002","","","","","","1.051","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7126179","11.6524","0.0007","4","0.0002","14.3571","0.0008","90","","92.273","0.007","90","","668.65","0.06","296","","296","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H10 N4 -","- C8 H5 N2 -","- C32 H20 N8 -","4","2","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.1641","0.1609","","","0.401","0.4065","","","","","","1.892","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7126180","11.21","","17.1917","","19.618","","90","","90","","90","","3780.76","","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Cl3 N4 -","- C24.5 H15 Cl N4 -","- C196 H120 Cl8 N32 -","8","2","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.0667","0.0628","","","0.166","0.1696","","","","","","1.021","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7126181","11.4592","0.0007","12.9511","0.0008","16.7818","0.0011","67.616","0.004","88.901","0.004","64.349","0.004","2044","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AQM pyrazinophane 5","AQM Dimer 5","","- C44 H28 N4 S8 -","- C44 H28 N4 S8 -","- C88 H56 N8 S16 -","2","1","","Anderson, Christopher L.; Liang, Jiatao; Teat, Simon J.; Garzón-Ruiz, Andrés; Nenon, David P.; Navarro, Amparo; Liu, Yi","A highly substituted pyrazinophane generated from a quinoidal system via a cascade reaction.","Chemical communications (Cambridge, England)","2020","56","32","4472","4475","10.1039/d0cc00916d","","","0.7749","synchrotron","","0.084","0.062","","","0.1592","0.1766","","","","","","1.045","","","","has coordinates,has disorder","251555","2020-10-21","18:00:00",""
"7126182","5.4963","0.0003","10.4093","0.0005","17.0568","0.0008","90","","98.615","0.002","90","","964.85","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","AQM Analog 8","AQM Monomeric Analog 8","","- C22 H16 N2 S4 -","- C22 H16 N2 S4 -","- C44 H32 N4 S8 -","2","0.5","","Anderson, Christopher L.; Liang, Jiatao; Teat, Simon J.; Garzón-Ruiz, Andrés; Nenon, David P.; Navarro, Amparo; Liu, Yi","A highly substituted pyrazinophane generated from a quinoidal system via a cascade reaction.","Chemical communications (Cambridge, England)","2020","56","32","4472","4475","10.1039/d0cc00916d","","","0.7288","synchrotron","","0.0331","0.0318","","","0.0793","0.0806","","","","","","1.091","","","","has coordinates,has disorder","251555","2020-10-21","18:00:00",""
"7126183","9.4415","0.0001","11.5767","0.0002","15.2148","0.0002","91.73","0.001","103.575","0.001","110.232","0.001","1505.45","0.04","170","0.11","170","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Cl2 N3 O2 -","- C39 H25 Cl2 N3 O2 -","- C78 H50 Cl4 N6 O4 -","2","1","","Zhang, Liang; Li, Meng; Gao, Qing-Yu; Chen, Chuan-Feng","An ultralong room-temperature phosphorescent material based on the combination of small singlet-triplet splitting energy and H-aggregation.","Chemical communications (Cambridge, England)","2020","56","31","4296","4299","10.1039/c9cc09636a","","x-ray","1.54184","CuKα","","0.0444","0.0425","","","0.109","0.112","","","","","","1.054","","","","has coordinates","251577","2020-10-21","18:00:00",""
"7126184","15.82204","0.00012","15.82204","0.00012","44.7484","0.0004","90","","90","","90","","11202.2","0.16","169.99","0.11","169.99","0.11","","","","","","","","4","P 41","P 4w","76","","","","- C38 H23 N3 O2 -","- C38 H23 N3 O2 -","- C608 H368 N48 O32 -","16","4","","Zhang, Liang; Li, Meng; Gao, Qing-Yu; Chen, Chuan-Feng","An ultralong room-temperature phosphorescent material based on the combination of small singlet-triplet splitting energy and H-aggregation.","Chemical communications (Cambridge, England)","2020","56","31","4296","4299","10.1039/c9cc09636a","","x-ray","1.54184","CuKα","","0.0599","0.0463","","","0.1147","0.1278","","","","","","1.038","","","","has coordinates","251577","2020-10-21","18:00:00",""
"7126185","14.8599","0.0007","14.7377","0.0006","15.2073","0.0007","90","","109.961","0.006","90","","3130.3","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(tetraphenylphosphonium)-dodecacyano-closo-dodecaborate","","- C59.56 H40 B12 I0.44 N11.57 P2 -","- C59.5646 H40 B12 I0.4354 N11.5646 P2 -","- C119.129 H80 B24 I0.8708 N23.1292 P4 -","2","0.5","","Mayer, Martin; Rohdenburg, Markus; van Lessen, Valentin; Nierstenhöfer, Marc C; Aprà, Edoardo; Grabowsky, Simon; Asmis, Knut R.; Jenne, Carsten; Warneke, Jonas","First steps towards a stable neon compound: observation and bonding analysis of [B<sub>12</sub>(CN)<sub>11</sub>Ne]<sup/>.","Chemical communications (Cambridge, England)","2020","56","33","4591","4594","10.1039/d0cc01423k","","x-ray","0.71073","MoKα","","0.053","0.0388","","","0.0932","0.1011","","","","","","1.034","","","","has coordinates,has disorder","251561","2020-10-21","18:00:00",""
"7126186","17.3516","0.0003","11.231","0.0002","10.6444","0.0002","90","","106.111","0.0019","90","","1992.86","0.06","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B F I N O6 -","- C17 H22 B F I N O6 -","- C68 H88 B4 F4 I4 N4 O24 -","4","1","","Zeng, Yao-Fu; Liu, Xu-Ge; Tan, Dong-Hang; Fan, Wen-Xin; Li, Yi-Na; Guo, Yu; Wang, Honggen","Halohydroxylation of alkenyl MIDA boronates: switchable stereoselectivity induced by B(MIDA) substituent.","Chemical communications (Cambridge, England)","2020","56","31","4332","4335","10.1039/d0cc00722f","","x-ray","1.54184","CuKα","","0.0844","0.0806","","","0.2272","0.2355","","","","","","1.0517","","","","has coordinates","251573","2020-10-21","18:00:00",""
"7126187","21.4754","0.0005","6.47129","0.00011","24.0236","0.0006","90","","114.374","0.003","90","","3041.07","0.14","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 B Br N O5 -","- C14 H17 B Br N O5 -","- C112 H136 B8 Br8 N8 O40 -","8","1","","Zeng, Yao-Fu; Liu, Xu-Ge; Tan, Dong-Hang; Fan, Wen-Xin; Li, Yi-Na; Guo, Yu; Wang, Honggen","Halohydroxylation of alkenyl MIDA boronates: switchable stereoselectivity induced by B(MIDA) substituent.","Chemical communications (Cambridge, England)","2020","56","31","4332","4335","10.1039/d0cc00722f","","x-ray","1.54184","CuKα","","0.0292","0.0276","","","0.074","0.0753","","","","","","1.0609","","","","has coordinates","251573","2020-10-21","18:00:00",""
"7126188","13.2673","0.0003","66.3212","0.0015","19.2434","0.0005","90","","90","","90","","16932.3","0.7","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","2,6-Bis[1-(4-carboxyphenylimino)ethyl] pyridine cobalt chloride, 2,6-Bis[1-(4-carboxyphenylimino)ethyl] pyridine cobalt, acetonitrile solvate","","- C150 H130 Cl4 Co3 N24 O24 -","- C150 H130 Cl4 Co3 N24 O24 -","- C600 H520 Cl16 Co12 N96 O96 -","4","0.5","","Wang, Hao; Sayed, Sayed Youssef; Zhou, Yuqiao; Olsen, Brian C.; Luber, Erik J.; Buriak, Jillian M.","Water-soluble pH-switchable cobalt complexes for aqueous symmetric redox flow batteries.","Chemical communications (Cambridge, England)","2020","56","25","3605","3608","10.1039/d0cc00383b","","","1.54178","CuKα","","0.074","0.061","","","0.1369","0.1446","","","","","","1.052","","","","has coordinates","250183","2020-10-21","18:00:00",""
"7126189","5.182","0.002","16.682","0.007","22.341","0.01","90","","95.945","0.011","90","","1920.9","1.4","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","","0.71075","MoKα","","0.1143","0.0988","","","0.2147","0.2269","","","","","","1.19","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126190","5.421","0.003","15.895","0.01","24.997","0.016","90","","94.464","0.014","90","","2147","2","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Cl2 N3 -","- C28 H17 Cl2 N3 -","- C112 H68 Cl8 N12 -","4","1","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","","0.71075","MoKα","","0.1521","0.1047","","","0.2499","0.2921","","","","","","1.134","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126191","7.5013","0.0004","12.4477","0.0007","23.8886","0.0011","90","","95.423","0.004","90","","2220.6","0.2","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H17 Br2 N3 -","- C28 H17 Br2 N3 -","- C112 H68 Br8 N12 -","4","0.5","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","x-ray","0.71073","MoKα","","0.0448","0.0372","","","0.0819","0.0848","","","","","","1.049","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126192","5.3634","0.0003","15.7657","0.0007","25.1499","0.0011","90","","94.964","0.004","90","","2118.64","0.18","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Br2 N3 -","- C28 H17 Br2 N3 -","- C112 H68 Br8 N12 -","4","1","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","x-ray","0.71073","MoKα","","0.0971","0.075","","","0.1929","0.2063","","","","","","1.042","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126193","19.6547","0.0006","5.3445","0.0003","43.593","0.002","90","","97.224","0.004","90","","4542.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.75 H19 Br2 N3 -","- C29.75 H19 Br2 N3 -","- C238 H152 Br16 N24 -","8","2","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","x-ray","0.71073","MoKα","","0.0638","0.0474","","","0.0838","0.0885","","","","","","1.057","","","","has coordinates,has disorder","251541","2020-10-21","18:00:00",""
"7126194","9.8581","0.0004","18.755","0.0008","14.3424","0.0006","90","","90","","90","","2651.75","0.19","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H22 N10 O18 Th -","- C12 H22 N10 O18 Th -","- C48 H88 N40 O72 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0543","0.0224","","","0.039","0.0455","","","","","","0.993","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126195","7.5785","0.0003","7.5951","0.0003","7.6538","0.0003","117.032","0.002","102.909","0.002","92.179","0.002","377.53","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 N6 O8 U -","- C8 H12 N6 O8 U -","- C8 H12 N6 O8 U -","1","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0167","0.0167","","","0.0352","0.0352","","","","","","1.038","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126196","9.1942","0.0003","5.8616","0.0002","12.1915","0.0004","90","","91.678","0.001","90","","656.75","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N6 O8 U -","- C6 H8 N6 O8 U -","- C12 H16 N12 O16 U2 -","2","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0191","0.013","","","0.0357","0.039","","","","","","1.085","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126197","15.7287","0.0013","12.981","0.001","14.2585","0.0012","90","","98.8468","0.0017","90","","2876.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 N13 O15 Th -","- C16 H25 N13 O15 Th -","- C64 H100 N52 O60 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0179","0.0167","","","0.0397","0.0401","","","","","","1.019","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126198","8.5201","0.0011","9.1476","0.0012","20.323","0.003","90","","97.003","0.008","90","","1572.1","0.4","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N5 O11 U -","- C6 H11 N5 O11 U -","- C24 H44 N20 O44 U4 -","4","1","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.1485","0.0822","","","0.2011","0.2311","","","","","","1.106","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126199","9.7722","0.0003","11.8036","0.0004","23.0503","0.0008","90","","90","","90","","2658.79","0.15","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H22 N10 O18 Th -","- C12 H22 N10 O18 Th -","- C48 H88 N40 O72 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.034","0.0233","","","0.0539","0.059","","","","","","1.097","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126200","11.52","0.005","12.224","0.005","12.375","0.005","88.974","0.005","72.739","0.005","85.516","0.005","1659.1","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N10 O19 U2 -","- C21 H23 N10 O19 U2 -","- C42 H46 N20 O38 U4 -","2","1","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0483","0.0295","","","0.07","0.0793","","","","","","0.874","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126201","8.045","0.0006","8.9535","0.0006","12.195","0.0009","96.322","0.006","91.386","0.005","92.148","0.005","872.11","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Br Fe N4 O3 -","- C16 H13 Br Fe N4 O3 -","- C32 H26 Br2 Fe2 N8 O6 -","2","1","","Wright, Mark A.; Wooldridge, Tyler; O'Connell, Maria A; Wright, Joseph A.","Ferracyclic carbonyl complexes as anti-inflammatory agents.","Chemical communications (Cambridge, England)","2020","56","31","4300","4303","10.1039/d0cc01449d","","","0.71075","MoKα","","0.0433","0.0396","","","0.1121","0.1148","","","","","","1.07","","","","has coordinates","251579","2020-10-21","18:00:00",""
"7126202","23.8608","0.0007","13.3771","0.0005","15.4092","0.0005","90","","101.705","0.003","90","","4816.2","0.3","139.9","0.8","139.9","0.8","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H51 Fe2 N4 O20.5 S2 -","- C39 H51 Fe2 N4 O20.5 S2 -","- C156 H204 Fe8 N16 O82 S8 -","4","1","","Wright, Mark A.; Wooldridge, Tyler; O'Connell, Maria A; Wright, Joseph A.","Ferracyclic carbonyl complexes as anti-inflammatory agents.","Chemical communications (Cambridge, England)","2020","56","31","4300","4303","10.1039/d0cc01449d","","x-ray","0.71073","MoKα","","0.1028","0.0639","","","0.1535","0.1753","","","","","","1.035","","","","has coordinates,has disorder","251579","2020-10-21","18:00:00",""
"7126203","38.6912","0.0008","13.8512","0.0003","12.528","0.0003","90","","90","","90","","6714","0.3","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C39 H24 Cl4 N2 O -","- C39 H24 Cl4 N2 O -","- C312 H192 Cl32 N16 O8 -","8","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","x-ray","1.54184","CuKα","","0.0595","0.056","","","0.1584","0.1636","","","","","","1.023","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126204","29.056","0.006","9.526","0.002","33.069","0.008","90","","90","","90","","9153","3","296","2","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H52 Br2 Cl4 N4 O4 Rh2 -","- C40 H52 Br2 Cl4 N4 O4 Rh2 -","- C320 H416 Br16 Cl32 N32 O32 Rh16 -","8","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.1615","0.0935","","","0.1352","0.1588","","","","","","1.102","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126205","21.018","0.009","10.048","0.004","27.166","0.012","90","","90","","90","","5737","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H25 Br N2 -","- C38 H25 Br N2 -","- C304 H200 Br8 N16 -","8","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.1919","0.0855","","","0.1898","0.2298","","","","","","0.771","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126206","8.968","0.003","11.141","0.004","11.249","0.003","65.119","0.005","83.659","0.006","80.437","0.006","1004.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Br Cl N2 Rh -","- C20 H21 Br Cl N2 Rh -","- C40 H42 Br2 Cl2 N4 Rh2 -","2","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.0686","0.0603","","","0.1799","0.1917","","","","","","1.078","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126207","11.4817","0.0008","20.8558","0.0013","14.978","0.001","90","","111.615","0.008","90","","3334.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Br Cl N2 Rh -","- C34 H31 Br Cl N2 Rh -","- C136 H124 Br4 Cl4 N8 Rh4 -","4","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","x-ray","0.71073","MoKα","","0.0655","0.0429","","","0.0922","0.1055","","","","","","1.02","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126208","9.1606","0.0006","9.7305","0.0006","7.8691","0.0006","90","","102.839","0.007","90","","683.89","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Malonic dihydrazide","Propanedihydrazide","","- C3 H10 N4 O3 -","- C3 H10 N4 O3 -","- C12 H40 N16 O12 -","4","1","","Guan, Ruifang; Dong, Baoli; Xu, Cui; Zhang, Hao; Cao, Duxia; Lin, Weiying","A strategy to construct fluorescent non-aromatic small-molecules: hydrogen bonds contributing to the unexpected fluorescence.","Chemical communications (Cambridge, England)","2020","56","32","4424","4427","10.1039/c9cc09906a","","","0.71073","MoKα","","0.0403","0.033","","","0.0791","0.0829","","","","","","1.05","","","","has coordinates","251548","2020-10-21","18:00:00",""
"7126209","8.4235","0.0005","10.6627","0.0007","12.6898","0.0008","90","","90","","90","","1139.76","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Zhou, Pan; Xu, Tao","Nickel-catalyzed intramolecular desymmetrization addition of aryl halides to 1,3-diketones.","Chemical communications (Cambridge, England)","2020","56","59","8194","8197","10.1039/d0cc00457j","","","1.34138","GaKα","","0.0287","0.0274","","","0.0704","0.0721","","","","","","1.048","","","","has coordinates","254906","2020-10-21","18:00:00",""
"7126210","17.7","0.002","10.2249","0.0012","20.534","0.003","90","","101.099","0.002","90","","3646.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Fe N2 O2 -","- C44 H46 Fe N2 O2 -","- C176 H184 Fe4 N8 O8 -","4","1","","Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B.","Self-assembly of an organometallic Fe<sub>9</sub>O<sub>6</sub> cluster from aerobic oxidation of (tmeda)Fe(CH<sub>2</sub><sup>t</sup>Bu)<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","37","4994","4997","10.1039/d0cc00011f","","","0.71073","MoKα","","0.1281","0.0578","","","0.1086","0.1364","","","","","","1.006","","","","has coordinates","252689","2020-10-21","18:00:00",""
"7126211","16.9429","0.0013","16.9429","0.0013","23.233","0.002","90","","90","","120","","5775.8","0.8","116","2","116","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C53 H126 Fe9 N6 O6 -","- C48 H114 Fe9 N6 O6 -","- C144 H342 Fe27 N18 O18 -","3","0.166667","","Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B.","Self-assembly of an organometallic Fe<sub>9</sub>O<sub>6</sub> cluster from aerobic oxidation of (tmeda)Fe(CH<sub>2</sub><sup>t</sup>Bu)<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","37","4994","4997","10.1039/d0cc00011f","","","0.71073","MoKα","","0.0403","0.0274","","","0.0483","0.0519","","","","","","0.972","","","","has coordinates","252689","2020-10-21","18:00:00",""
"7126212","8.262","0.0006","11.3867","0.0008","22.2514","0.0015","91.776","0.002","94.224","0.002","94.328","0.002","2080.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br F3 N O2 -","- C24 H19 Br F3 N O2 -","- C96 H76 Br4 F12 N4 O8 -","4","2","","Huang, Jie; Li, Feng; Cui, Lei; Su, Shikuan; Jia, Xueshun; Li, Jian","Palladium-catalyzed cascade reactions of enynones and isocyanides: access towards functionalized ketenimine and its application.","Chemical communications (Cambridge, England)","2020","56","33","4555","4558","10.1039/c9cc09363j","","","1.34138","GaKα","","0.0568","0.051","","","0.1508","0.1576","","","","","","1.103","","","","has coordinates","251562","2020-10-21","18:00:00",""
"7126213","10.8209","0.0009","13.1614","0.0009","23.1775","0.0018","90","","103.056","0.005","90","","3215.6","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Br3 N2 O5 -","- C34 H27 Br3 N2 O5 -","- C136 H108 Br12 N8 O20 -","4","1","","Huang, Jie; Li, Feng; Cui, Lei; Su, Shikuan; Jia, Xueshun; Li, Jian","Palladium-catalyzed cascade reactions of enynones and isocyanides: access towards functionalized ketenimine and its application.","Chemical communications (Cambridge, England)","2020","56","33","4555","4558","10.1039/c9cc09363j","","","1.34139","GaKα","","0.0917","0.0492","","","0.1084","0.1267","","","","","","0.983","","","","has coordinates","251562","2020-10-21","18:00:00",""
"7126214","9.353","0.0007","12.8318","0.0009","15.0588","0.0011","111.452","0.003","102.192","0.003","91.234","0.003","1634.4","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H25 I8 N11 Sn2 -","- C7 H25 I8 N11 Sn2 -","- C14 H50 I16 N22 Sn4 -","2","1","","McNulty, Jason A.; Lightfoot, Philip","Unprecedented tin iodide perovskite-like structures featuring ordering of organic moieties.","Chemical communications (Cambridge, England)","2020","56","33","4543","4546","10.1039/d0cc00549e","","","0.71075","MoKα","","0.041","0.0263","","","0.0602","0.0725","","","","","","1.017","","","","has coordinates","251560","2020-10-21","18:00:00",""
"7126215","9.0746","0.0006","9.0746","0.0006","25.3561","0.0018","90","","90","","90","","2088","0.2","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C3 H10 I6 N6 Sn2 -","- C3 H10 I6 N6 Sn2 -","- C12 H40 I24 N24 Sn8 -","4","0.5","","McNulty, Jason A.; Lightfoot, Philip","Unprecedented tin iodide perovskite-like structures featuring ordering of organic moieties.","Chemical communications (Cambridge, England)","2020","56","33","4543","4546","10.1039/d0cc00549e","","","0.71075","MoKα","","0.0257","0.0239","","","0.0586","0.0592","","","","","","1.047","","","","has coordinates,has disorder","251560","2020-10-21","18:00:00",""
"7126216","10.8558","0.0003","19.5631","0.0005","14.1328","0.0005","90","","97.318","0.003","90","","2976.98","0.16","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C47 H50 Al F36 N5 O4 Si -","- C47 H50 Al F36 N5 O4 Si -","- C94 H100 Al2 F72 N10 O8 Si2 -","2","0.5","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0833","0.0671","","","0.179","0.1983","","","","","","1.021","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126217","10.8096","0.0002","36.2399","0.0005","15.9889","0.0003","90","","92.324","0.002","90","","6258.32","0.19","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C48 H49 Al Cl2 F36 N4 O4 Si -","- C48 H49 Al Cl2 F36 N4 O4 Si -","- C192 H196 Al4 Cl8 F144 N16 O16 Si4 -","4","2","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.1566","0.1471","","","0.3855","0.4004","","","","","","1.723","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126218","11.0279","0.0001","19.9344","0.0002","17.9479","0.0002","90","","107.293","0.001","90","","3767.22","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H72 Al F36 N5 O4 Sn -","- C57 H72 Al F36 N5 O4 Sn -","- C114 H144 Al2 F72 N10 O8 Sn2 -","2","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0522","0.049","","","0.1353","0.1408","","","","","","1.051","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126219","13.993","0.0001","19.5525","0.0002","21.6682","0.0002","90","","98.012","0.001","90","","5870.51","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Al F36 N4 O4 Si -","- C47 H47 Al F36 N4 O4 Si -","- C188 H188 Al4 F144 N16 O16 Si4 -","4","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0965","0.0852","","","0.2387","0.2547","","","","","","1.051","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126220","11.2303","0.0003","14.7524","0.0005","20.0867","0.0005","80.757","0.003","87.515","0.002","86.337","0.003","3276.07","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H58 Al F36 Ge N5 O4 -","- C51 H58 Al F36 Ge N5 O4 -","- C102 H116 Al2 F72 Ge2 N10 O8 -","2","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0553","0.0456","","","0.1209","0.1313","","","","","","1.022","","","","has coordinates","251587","2020-10-21","18:00:00",""
"7126221","13.9314","0.0003","19.6837","0.0003","21.7403","0.0004","90","","98.072","0.002","90","","5902.59","0.19","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Al F36 Ge N4 O4 -","- C47 H47 Al F36 Ge N4 O4 -","- C188 H188 Al4 F144 Ge4 N16 O16 -","4","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0972","0.0914","","","0.2905","0.3068","","","","","","1.469","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126222","11.1801","0.0006","14.7647","0.0009","20.0683","0.0008","82.558","0.004","87.937","0.004","85.473","0.005","3273.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H58 Al F36 N5 O4 Si -","- C51 H58 Al F36 N5 O4 Si -","- C102 H116 Al2 F72 N10 O8 Si2 -","2","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.1273","0.0747","","","0.2003","0.2381","","","","","","1.021","","","","has coordinates","251587","2020-10-21","18:00:00",""
"7126223","16.261","0.0001","19.8055","0.0001","18.8111","0.0001","90","","103.171","0.001","90","","5898.88","0.06","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 Al F36 N4 O4 Sn -","- C47 H47 Al F36 N4 O4 Sn -","- C188 H188 Al4 F144 N16 O16 Sn4 -","4","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.047","0.0451","","","0.1257","0.1278","","","","","","1.035","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126224","17.2715","0.0008","27.171","0.003","7.9406","0.0007","90","","90","","90","","3726.4","0.6","293","2","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H22 F10 I2 N2 O S2 -","- C34 H22 F10 I2 N2 O S2 -","- C136 H88 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2522","0.1685","","","0.3775","0.4266","","","","","","1.108","","","","has coordinates,has disorder","251571","2020-10-21","18:00:00",""
"7126225","17.564","0.01","25.64","0.04","7.07","0.03","90","","90","","90","","3184","15","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H18 F10 I2 N2 O S2 -","- C31 H18 F10 I2 N2 O S2 -","- C124 H72 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2562","0.1726","","","0.4108","0.482","","","","","","1.772","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126226","17.723","0.008","26.15","0.06","7","0.03","90","","90","","90","","3244","16","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4345","0.1738","","","0.3915","0.5193","","","","","","1.055","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126227","17.556","0.004","26.464","0.017","7.633","0.002","90","","90","","90","","3546","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4824","0.2025","","","0.4301","0.5737","","","","","","1.096","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126228","17.2451","0.0006","27.2415","0.0016","7.9554","0.0003","90","","90","","90","","3737.3","0.3","293","2","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33.85 H24 F10 I2 N2 O2 S2 -","- C33.85 H24 F10 I2 N2 O2 S2 -","- C135.4 H96 F40 I8 N8 O8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.1592","0.119","","","0.2469","0.2726","","","","","","1.078","","","","has coordinates,has disorder","251571","2020-10-21","18:00:00",""
"7126229","17.449","0.004","26.511","0.015","7.536","0.011","90","","90","","90","","3486","6","297.9","0.1","297.9","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.3835","0.1399","","","0.3503","0.4872","","","","","","1.011","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126230","17.606","0.003","25.58","0.017","6.944","0.009","90","","90","","90","","3127","5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H18 F10 I2 N2 O S2 -","- C31 H18 F10 I2 N2 O S2 -","- C124 H72 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2098","0.1421","","","0.345","0.4147","","","","","","1.724","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126231","17.559","0.005","26.315","0.016","7.259","0.008","90","","90","","90","","3354","4","297.9","0.1","297.9","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4167","0.1781","","","0.3875","0.5136","","","","","","1.07","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126232","13.7106","0.0003","10.0817","0.0002","19.9799","0.0004","90","","91.438","0.0018","90","","2760.88","0.1","236","20","236","20","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl3 F N O2 P -","- C24 H24 Cl3 F N O2 P -","- C96 H96 Cl12 F4 N4 O8 P4 -","4","1","","Gou, Xue-Ya; Zhang, Bo-Sheng; Wang, Xin-Gang; Shi, Wei-Yu; Liu, Hong-Chao; An, Yang; Zhang, Zhe; Liang, Yong-Min","Visible-light-induced ligand-free RuCl<sub>3</sub> catalyzed C-H phosphorylation in water.","Chemical communications (Cambridge, England)","2020","56","34","4704","4707","10.1039/d0cc00420k","","x-ray","1.54184","CuKα","","0.0585","0.0487","","","0.1308","0.1399","","","","","","1.046","","","","has coordinates","251589","2020-10-21","18:00:00",""
"7126233","12.845","0.002","16.759","0.003","14.762","0.003","90","","107.779","0.009","90","","3026","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H88 Li2 N2 O5 -","- C65.996 H87.992 Li2 N2 O4.999 -","- C131.992 H175.984 Li4 N4 O9.998 -","2","1","","Schmidlin, Nadja M. C.; Scherer, Harald; Hoffmann, Anke; Böttcher, Tobias","Isolation and characterization of a lithiated pyridine - aggregation in the solid state and in solution.","Chemical communications (Cambridge, England)","2020","56","30","4160","4163","10.1039/d0cc01355b","","","0.71073","MoKα","","0.0817","0.0773","","","0.2194","0.2218","","","","","","1.113","","","","has coordinates,has disorder","251568","2020-10-21","18:00:00",""
"7126234","8.17188","0.00013","12.40101","0.00016","13.7935","0.0002","90","","91.4883","0.0015","90","","1397.36","0.04","100.01","0.1","100.01","0.1","","","","","","","Fungus","3","P 1 21/n 1","-P 2yn","14","sporormielone A","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.0397","0.039","","","0.0992","0.0998","","","","","","1.053","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126235","9.1094","0.0002","10.3354","0.0002","14.8756","0.0003","90","","90","","90","","1400.53","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","sporormielone E","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54178","CuKα","","0.039","0.0376","","","0.1034","0.1044","","","","","","1.056","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126236","13.4502","0.001","7.6047","0.0004","15.7124","0.0013","90","","110.641","0.009","90","","1504","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sporormielone D","","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.1528","0.1378","","","0.3092","0.3308","","","","","","1.342","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126237","8.519","0.0007","16.0695","0.0013","10.3653","0.0008","90","","102.495","0.008","90","","1385.4","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","sporormielone C","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.0947","0.0769","","","0.2245","0.2333","","","","","","1.357","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126238","9.17259","0.00016","11.667","0.00014","12.81692","0.00017","90","","98.1439","0.0014","90","","1357.79","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","sporormielone B","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.0433","0.0411","","","0.1118","0.1139","","","","","","1.047","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126239","19.0415","0.0001","17.9747","0.0002","19.5602","0.0001","90","","91.7586","0.0006","90","","6691.62","0.09","150","","150","","","","101","","","","SYN","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Bukvic, Alexander J.; Crivoi, Dana Georgiana; Garwood, Hollie G.; McKay, Alasdair I.; Chen, Thomas T. D.; Martínez-Martínez, Antonio J; Weller, Andrew S.","Tolerant to air σ-alkane complexes by surface modification of single crystalline solid-state molecular organometallics using vapour-phase cationic polymerisation: SMOM@polymer.","Chemical communications (Cambridge, England)","2020","56","31","4328","4331","10.1039/d0cc01140a","","","1.5418","CuKα","","0.046","0.0415","","0.1106","0.1017","0.1102","","","","","","0.9","","","","has coordinates,has disorder","251578","2020-10-21","18:00:00",""
"7126240","12.8015","0.001","12.9012","0.0007","19.8814","0.0009","91.347","0.004","90.717","0.005","96.597","0.006","3260.5","0.3","150.1","0.2","150.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H66 B F24 P2 Rh -","- C61 H66 B F24 P2 Rh -","- C122 H132 B2 F48 P4 Rh2 -","2","1","","Bukvic, Alexander J.; Crivoi, Dana Georgiana; Garwood, Hollie G.; McKay, Alasdair I.; Chen, Thomas T. D.; Martínez-Martínez, Antonio J; Weller, Andrew S.","Tolerant to air σ-alkane complexes by surface modification of single crystalline solid-state molecular organometallics using vapour-phase cationic polymerisation: SMOM@polymer.","Chemical communications (Cambridge, England)","2020","56","31","4328","4331","10.1039/d0cc01140a","","x-ray","1.54178","CuKα","","0.1224","0.1003","","","0.2905","0.3209","","","","","","1.16","","","","has coordinates,has disorder","251578","2020-10-21","18:00:00",""
"7126241","12.877","0.0013","13.5514","0.0007","19.2488","0.0013","91.699","0.005","95.671","0.007","98.347","0.006","3303.8","0.4","150.01","0.1","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H70 B F24 O P2 Rh -","- C62 H70 B F24 O P2 Rh -","- C124 H140 B2 F48 O2 P4 Rh2 -","2","1","","Bukvic, Alexander J.; Crivoi, Dana Georgiana; Garwood, Hollie G.; McKay, Alasdair I.; Chen, Thomas T. D.; Martínez-Martínez, Antonio J; Weller, Andrew S.","Tolerant to air σ-alkane complexes by surface modification of single crystalline solid-state molecular organometallics using vapour-phase cationic polymerisation: SMOM@polymer.","Chemical communications (Cambridge, England)","2020","56","31","4328","4331","10.1039/d0cc01140a","","","1.54184","CuKα","","0.1406","0.09","","","0.2537","0.2993","","","","","","1.03","","","","has coordinates,has disorder","251578","2020-10-21","18:00:00",""
"7126242","10.929","0.002","16.497","0.004","17.2819","0.001","90.747","0.01","90.198","0.011","92","0.02","3113.7","1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H104 B4 Na2 O2 Si8 Y2 -","- C40 H104 B4 Na2 O2 Si8 Y2 -","- C80 H208 B8 Na4 O4 Si16 Y4 -","2","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.1224","0.0731","","","0.1934","0.2219","","","","","","1.047","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126243","10.9592","0.0004","16.5329","0.0008","17.2892","0.0007","90.676","0.004","90.257","0.003","92.791","0.004","3128.6","0.2","99.9","0.3","99.9","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C40 H104 B4 Dy2 Na2 O2 Si8 -","- C40 H104 B4 Dy2 Na2 O2 Si8 -","- C80 H208 B8 Dy4 Na4 O4 Si16 -","2","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.0848","0.0604","","","0.1444","0.1524","","","","","","0.933","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126244","10.846","0.0003","17.5547","0.0004","16.9092","0.0003","90","","91.916","0.002","90","","3217.68","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 B2 Dy K O Si4 -","- C20 H52 B2 Dy K O Si4 -","- C80 H208 B8 Dy4 K4 O4 Si16 -","4","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.0647","0.0458","","","0.1088","0.114","","","","","","0.902","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126245","10.7817","0.0004","17.5986","0.0005","16.9013","0.0006","90","","91.955","0.003","90","","3205.03","0.19","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 B2 K O Si4 Y -","- C20 H52 B2 K O Si4 Y -","- C80 H208 B8 K4 O4 Si16 Y4 -","4","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.0528","0.0341","","","0.0733","0.0765","","","","","","0.855","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126246","14.3032","0.0013","17.5925","0.0015","24.968","0.002","90","","90","","90","","6282.7","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H19 B F20 Ge O2 -","- C30 H19 B F20 Ge O2 -","- C240 H152 B8 F160 Ge8 O16 -","8","1","","Talavera, Maria; Meißner, Gisa; Rachor, Simon G.; Braun, Thomas","C-F activation reactions at germylium ions: dehydrofluorination of fluoralkanes.","Chemical communications (Cambridge, England)","2020","56","32","4452","4455","10.1039/d0cc01420f","","","0.71073","MoKα","","0.0312","0.0276","","","0.1051","0.1112","","","","","","1.017","","","","has coordinates","251549","2020-10-21","18:00:00",""
"7126247","7.7349","0.0014","9.6402","0.0017","9.3298","0.0016","90","","101.782","0.003","90","","681","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C28 H26 N2 O8 S2 -","2","1","","Liu, Gongyi; Zhang, Xianghe; Wang, Heng; Cong, Hengjiang; Zhang, Xumu; Dong, Xiu-Qin","Synthesis of chiral α-substituted α-amino acid and amine derivatives through Ni-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2020","56","36","4934","4937","10.1039/d0cc01220c","","","0.71073","MoKα","","0.0248","0.0241","","","0.0721","0.0729","","","","","","1.142","","","","has coordinates","252718","2020-10-21","18:00:00",""
"7126248","7.1576","0.0001","7.1576","0.0001","37.3509","0.0003","90","","90","","120","","1657.17","0.04","298.98","0.13","298.98","0.13","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C9 H11 N O5 S -","- C9 H11 N O5 S -","- C54 H66 N6 O30 S6 -","6","1","","Liu, Gongyi; Zhang, Xianghe; Wang, Heng; Cong, Hengjiang; Zhang, Xumu; Dong, Xiu-Qin","Synthesis of chiral α-substituted α-amino acid and amine derivatives through Ni-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2020","56","36","4934","4937","10.1039/d0cc01220c","","x-ray","1.54184","CuKα","","0.0248","0.0244","","","0.0682","0.0685","","","","","","1.084","","","","has coordinates","252718","2020-10-21","18:00:00",""
"7126249","12.7979","0.0001","5.74316","0.00005","22.89076","0.00019","90","","92.3207","0.0007","90","","1681.1","0.02","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O5 -","- C22 H14 N2 O5 -","- C88 H56 N8 O20 -","4","1","","Aizawa, Takumi; Aratsu, Keisuke; Datta, Sougata; Mashimo, Takaki; Seki, Tomohiro; Kajitani, Takashi; Silly, Fabien; Yagai, Shiki","Hydrogen bond-directed supramolecular polymorphism leading to soft and hard molecular ordering.","Chemical communications (Cambridge, England)","2020","56","31","4280","4283","10.1039/d0cc01636e","","x-ray","1.54184","CuKα","","0.0461","0.0419","","","0.114","0.1169","","","","","","1.065","","","","has coordinates","251574","2020-10-21","18:00:00",""
"7126250","9.2755","0.0006","9.2755","0.0006","5.8368","0.0004","90","","90","","90","","502.17","0.06","173","2","173","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H12 Cl2 Ga N -","- C4 H12 Cl2 Ga N -","- C8 H24 Cl4 Ga2 N2 -","2","0.25","","Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei","Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs.","Chemical communications (Cambridge, England)","2020","56","36","4894","4897","10.1039/d0cc01532f","","","0.71073","MoKα","","0.0781","0.0744","","","0.2099","0.2133","","","","","","1.106","","","","has coordinates","252716","2020-10-21","18:00:00",""
"7126251","9.2807","0.0001","9.2807","0.0001","5.8414","0.0002","90","","90","","90","","503.128","0.019","173","2","173","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H12 Cl2 In N -","- C4 H12 Cl2 In N -","- C8 H24 Cl4 In2 N2 -","2","0.25","","Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei","Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs.","Chemical communications (Cambridge, England)","2020","56","36","4894","4897","10.1039/d0cc01532f","","","0.71073","MoKα","","0.0152","0.0152","","","0.0416","0.0416","","","","","","1.145","","","","has coordinates","252716","2020-10-21","18:00:00",""
"7126252","9.0173","0.0007","9.8035","0.001","14.1588","0.0013","90","","95.552","0.003","90","","1245.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N O S -","- C14 H10 Cl N O S -","- C56 H40 Cl4 N4 O4 S4 -","4","1","","Pradhan, Suman; Patel, Sandeep; Chatterjee, Indranil","Nitrosoarene-catalyzed regioselective aromatic C-H sulfinylation with thiols under aerobic conditions.","Chemical communications (Cambridge, England)","2020","56","37","5054","5057","10.1039/d0cc01188f","","","0.71073","MoKα","","0.0732","0.0504","","","0.1153","0.1273","","","","","","1.069","","","","has coordinates","252687","2020-10-21","18:00:00",""
"7126253","14.275","0.002","7.6981","0.001","11.6398","0.0017","90","","101.25","0.005","90","","1254.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","1","","Pradhan, Suman; Patel, Sandeep; Chatterjee, Indranil","Nitrosoarene-catalyzed regioselective aromatic C-H sulfinylation with thiols under aerobic conditions.","Chemical communications (Cambridge, England)","2020","56","37","5054","5057","10.1039/d0cc01188f","","","0.71073","MoKα","","0.1045","0.0692","","","0.1939","0.226","","","","","","1.048","","","","has coordinates","252687","2020-10-21","18:00:00",""
"7126254","20.7855","0.0005","20.7855","0.0005","35.3744","0.001","90","","90","","90","","15283.1","0.7","100","","100","","","","","","","","","4","P 42 21 2","P 4n 2n","94","","Tetrakis(bis(1,2,3,4-tetra(isopropyl)cyclopentadienyl)-azido-uranium(iii)) n-pentane solvate","","- C141 H244 N12 U4 -","- C141 H244 N12 U4 -","- C564 H976 N48 U16 -","4","0.5","","Boreen, Michael A.; Rao, Guodong; Villarreal, David G.; Watt, Fabian A.; Britt, R. David; Hohloch, Stephan; Arnold, John","Lewis acid capping of a uranium(v) nitride via a uranium(iii) azide molecular square.","Chemical communications (Cambridge, England)","2020","56","33","4535","4538","10.1039/d0cc01356k","","","0.71073","MoKα","","0.0501","0.0356","","","0.067","0.0712","","","","","","1.03","","","","has coordinates,has disorder","251559","2020-10-21","18:00:00",""
"7126255","12.5562","0.0005","13.4735","0.0006","18.1929","0.0008","100.421","0.002","97.392","0.002","116.686","0.002","2626.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(1,2,3,4-tetrakis(isopropyl)cyclopentadienyl)-(tris(pentafluorophenyl)borylnitrido)-uranium(v) toluene sovlate","","- C55.5 H62 B F15 N U -","- C55.5 H62 B F15 N U -","- C111 H124 B2 F30 N2 U2 -","2","1","","Boreen, Michael A.; Rao, Guodong; Villarreal, David G.; Watt, Fabian A.; Britt, R. David; Hohloch, Stephan; Arnold, John","Lewis acid capping of a uranium(v) nitride via a uranium(iii) azide molecular square.","Chemical communications (Cambridge, England)","2020","56","33","4535","4538","10.1039/d0cc01356k","","","0.7288","synchrotron","","0.0244","0.0218","","","0.0477","0.0488","","","","","","1.068","","","","has coordinates,has disorder","251559","2020-10-21","18:00:00",""
"7126256","11.1153","0.0004","11.7453","0.0004","12.4529","0.0004","70.938","0.001","81.452","0.001","72.255","0.001","1461.32","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","Bis((tris(pentafluorophenyl)borylazido)-bis(diethyl-ether)-sodium)","","- C52 H40 B2 F30 N6 Na2 O4 -","- C52 H40 B2 F30 N6 Na2 O4 -","- C52 H40 B2 F30 N6 Na2 O4 -","1","0.5","","Boreen, Michael A.; Rao, Guodong; Villarreal, David G.; Watt, Fabian A.; Britt, R. David; Hohloch, Stephan; Arnold, John","Lewis acid capping of a uranium(v) nitride via a uranium(iii) azide molecular square.","Chemical communications (Cambridge, England)","2020","56","33","4535","4538","10.1039/d0cc01356k","","","0.7288","synchrotron","","0.0355","0.0331","","","0.0855","0.0877","","","","","","1.048","","","","has coordinates,has disorder","251559","2020-10-21","18:00:00",""
"7126257","8.9154","0.0012","9.9908","0.0011","14.3287","0.0018","98.926","0.01","91.79","0.011","92.209","0.01","1259","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H61 N5 O8 -","- C60 H61 N5 O8 -","- C60 H61 N5 O8 -","1","0.5","","Ren, Demin; Koniarz, Sebastian; Li, Xiaofang; Chmielewski, Piotr J.","First imidazole-fused carbaporphyrinoid and its conversion to a N-heterocyclic carbene precursor.","Chemical communications (Cambridge, England)","2020","56","35","4836","4839","10.1039/d0cc01013h","","","1.54184","CuKα","","0.1271","0.0985","","","0.2519","0.2931","","","","","","0.999","","","","has coordinates,has disorder","251584","2020-10-21","18:00:00",""
"7126258","9.9193","0.0005","13.7034","0.0008","15.7321","0.0008","75.013","0.005","84.724","0.004","78.55","0.004","2022.72","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H33 Ag Au Cl4 N5 -","- C48.5 H33 Ag Au Cl4 N5 -","- C97 H66 Ag2 Au2 Cl8 N10 -","2","1","","Ren, Demin; Koniarz, Sebastian; Li, Xiaofang; Chmielewski, Piotr J.","First imidazole-fused carbaporphyrinoid and its conversion to a N-heterocyclic carbene precursor.","Chemical communications (Cambridge, England)","2020","56","35","4836","4839","10.1039/d0cc01013h","","","1.54184","CuKα","","0.0574","0.0449","","","0.1083","0.118","","","","","","1.017","","","","has coordinates,has disorder","251584","2020-10-21","18:00:00",""
"7126259","13.3872","0.0015","13.4166","0.0016","15.684","0.0018","81.472","0.006","68.974","0.005","85.355","0.006","2599.2","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H11 Cr F9 N3 O9 S3 -","- C18 H11 Cr F9 N3 O9 S3 -","- C72 H44 Cr4 F36 N12 O36 S12 -","4","2","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.0917","0.0455","","","0.1025","0.1188","","","","","","1.02","","","","has coordinates","252715","2020-10-21","18:00:00",""
"7126260","9.863","0.003","12.837","0.003","16.567","0.006","98.505","0.013","100.19","0.012","98.845","0.012","2006.6","1.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H26 Cr F6 N10 O6 S2 -","- C43 H26 Cr F6 N10 O6 S2 -","- C86 H52 Cr2 F12 N20 O12 S4 -","2","1","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.165","0.0736","","","0.161","0.1997","","","","","","1.029","","","","has coordinates","252715","2020-10-21","18:00:00",""
"7126261","10.8374","0.0005","13.4385","0.0006","15.1456","0.0008","81.115","0.002","87.233","0.002","76.72","0.002","2120.85","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H75 Cr2 F6 N21 O8 S2 -","- C94 H72 Cr2 F6 N21 O8 S2 -","- C94 H72 Cr2 F6 N21 O8 S2 -","1","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.0363","0.0334","","","0.095","0.0969","","","","","","1.109","","","","has coordinates,has disorder","252715","2020-10-21","18:00:00",""
"7126262","10.6856","0.0011","13.1212","0.0012","18.0622","0.0018","72.344","0.004","83.075","0.004","86.981","0.004","2395.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H33 Cr F9 N9 O10 S3 -","- C46 H33 Cr F9 N9 O10 S3 -","- C92 H66 Cr2 F18 N18 O20 S6 -","2","1","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.1309","0.1036","","","0.2912","0.3183","","","","","","1.059","","","","has coordinates","252715","2020-10-21","18:00:00",""
"7126263","17.0878","0.0007","10.7963","0.0004","21.0437","0.0009","90","","109.074","0.002","90","","3669.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O4 S -","- C42 H50 O4 S -","- C168 H200 O16 S4 -","4","1","","Ghotekar, Ganesh S.; Shirsath, Sachin R.; Shaikh, Aslam C.; Muthukrishnan, M.","1,6-Conjugate addition initiated formal [4+2] annulation of p-quinone methides with sulfonyl allenols: a unique access to spiro[5.5]undeca-1,4-dien-3-one scaffolds.","Chemical communications (Cambridge, England)","2020","56","37","5022","5025","10.1039/d0cc01005g","","","0.71073","MoKα","","0.053","0.0391","","","0.0968","0.1089","","","","","","1.069","","","","has coordinates","252688","2020-10-21","18:00:00",""
"7126264","11.5515","0.0001","15.2491","0.0002","15.9658","0.0002","90","","91.512","0.001","90","","2811.4","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 F N2 O4 S2 -","- C32 H31 F N2 O4 S2 -","- C128 H124 F4 N8 O16 S8 -","4","1","","Wang, Hao-Ran; Huang, En-He; Luo, Chen; Luo, Wen-Feng; Xu, Yin; Qian, Peng-Cheng; Zhou, Jin-Mei; Ye, Long-Wu","Copper-catalyzed tandem cis-carbometallation/cyclization of imine-ynamides with arylboronic acids.","Chemical communications (Cambridge, England)","2020","56","35","4832","4835","10.1039/d0cc01424a","","x-ray","1.54184","CuKα","","0.0367","0.0345","","","0.0916","0.0933","","","","","","1.038","","","","has coordinates","251586","2020-10-21","18:00:00",""
"7126265","12.7799","0.0001","10.1536","0.0001","18.2019","0.0002","90","","108.934","0.001","90","","2234.12","0.04","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Wang, Hao-Ran; Huang, En-He; Luo, Chen; Luo, Wen-Feng; Xu, Yin; Qian, Peng-Cheng; Zhou, Jin-Mei; Ye, Long-Wu","Copper-catalyzed tandem cis-carbometallation/cyclization of imine-ynamides with arylboronic acids.","Chemical communications (Cambridge, England)","2020","56","35","4832","4835","10.1039/d0cc01424a","","x-ray","1.54184","CuKα","","0.0447","0.0378","","","0.0994","0.1112","","","","","","1.104","","","","has coordinates","251586","2020-10-21","18:00:00",""
"7126266","28.1272","0.0004","9.04947","0.00013","14.7304","0.0002","90","","90","","90","","3749.42","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 F6 N2 O2 -","- C22 H16 F6 N2 O2 -","- C176 H128 F48 N16 O16 -","8","1","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0389","0.0343","","","0.0907","0.0942","","","","","","1.03","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126267","7.16584","0.00013","10.4417","0.0002","21.8016","0.0004","90","","96.8756","0.0017","90","","1619.54","0.05","110","0.14","110","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0381","0.0322","","","0.0752","0.0789","","","","","","1.04","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126268","17.8343","0.0006","12.4405","0.0004","13.0921","0.0005","90","","107.301","0.004","90","","2773.29","0.18","110.05","0.1","110.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12.67 N0.67 O1.33 -","- C10 H12.6667 N0.666667 O1.33333 -","- C120 H152 N8 O16 -","12","1.5","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0414","0.0367","","","0.0966","0.1008","","","","","","1.062","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126269","7.3701","0.0005","10.2836","0.0007","12.5573","0.0007","97.383","0.005","104.649","0.006","99.61","0.006","893.22","0.11","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0393","0.0329","","","0.0829","0.0875","","","","","","1.032","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126270","16.29085","0.00017","20.8151","0.0002","23.2057","0.0003","90","","105.286","0.0012","90","","7590.55","0.15","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C336 H408 N24 O24 -","12","3","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0646","0.0504","","","0.129","0.1379","","","","","","1.047","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126271","15.552","0.003","15.578","0.003","45.215","0.01","90","","90.58","0.004","90","","10954","4","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","[(TpAd,iPr)Ca(p-CH2C6H4CH3)(THF)]","","","- C120 H174 B2 Ca2 N12 O2 -","- C120 H174 B2 Ca2 N12 O2 -","- C480 H696 B8 Ca8 N48 O8 -","4","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.2307","0.0911","","","0.1914","0.2495","","","","","","0.982","","","","has coordinates,has disorder","252721","2020-10-21","18:00:00",""
"7126272","11.9771","0.0008","14.8686","0.001","16.6034","0.0011","99.757","0.001","99.777","0.001","104.406","0.001","2751.9","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","[(TpAd,iPr)Ca(PhCH2CHPh)]","","","- C62 H83 B Ca N6 -","- C62 H83 B Ca N6 -","- C124 H166 B2 Ca2 N12 -","2","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.085","0.0558","","","0.116","0.1316","","","","","","1.008","","","","has coordinates","252721","2020-10-21","18:00:00",""
"7126273","11.7488","0.0013","15.0579","0.0015","15.7679","0.0017","96.695","0.002","94.947","0.002","101.734","0.003","2695.2","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","[(TpAd,iPr)Ca(Ph2CCH3)]","","","- C62 H83 B Ca N6 -","- C62 H83 B Ca N6 -","- C124 H166 B2 Ca2 N12 -","2","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.1296","0.0675","","","0.1195","0.1489","","","","","","0.983","","","","has coordinates","252721","2020-10-21","18:00:00",""
"7126274","14.5913","0.0016","14.6823","0.0016","15.1498","0.0016","61.123","0.002","82.567","0.002","88.425","0.002","2815.9","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[(TpAd,iPr)Ca(CH2CH2CH2CH2C6H5)(THP)]","","- C63 H93 B Ca N6 O -","- C63 H93 B Ca N6 O -","- C126 H186 B2 Ca2 N12 O2 -","2","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.0752","0.0504","","","0.1155","0.1288","","","","","","1.021","","","","has coordinates,has disorder","252721","2020-10-21","18:00:00",""
"7126275","24.4932","0.0011","13.5736","0.0005","18.0604","0.0008","90","","97.554","0.004","90","","5952.3","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H50 Cd N4 O8 -","- C74 H50 Cd N4 O8 -","- C296 H200 Cd4 N16 O32 -","4","0.5","","Yang, Yongsheng; Fang, Xiaoyu; Zhao, Si-Si; Bai, Fengyang; Zhao, Zhen; Wang, Ke-Zhi; Yan, Dongpeng","One-dimensional co-crystallized coordination polymers showing reversible mechanochromic luminescence: cation-anion interaction directed rapid self-recovery.","Chemical communications (Cambridge, England)","2020","56","39","5267","5270","10.1039/c9cc09806b","","","0.71073","MoKα","","0.0547","0.0406","","","0.1149","0.1383","","","","","","0.85","","","","has coordinates","252711","2020-10-21","18:00:00",""
"7126276","7.5033","0.0003","16.7674","0.0007","19.8262","0.0009","90","","90","","90","","2494.35","0.18","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C30 H22 Cd O6 -","- C30 H22 Cd O6 -","- C120 H88 Cd4 O24 -","4","0.5","","Yang, Yongsheng; Fang, Xiaoyu; Zhao, Si-Si; Bai, Fengyang; Zhao, Zhen; Wang, Ke-Zhi; Yan, Dongpeng","One-dimensional co-crystallized coordination polymers showing reversible mechanochromic luminescence: cation-anion interaction directed rapid self-recovery.","Chemical communications (Cambridge, England)","2020","56","39","5267","5270","10.1039/c9cc09806b","","","0.71073","MoKα","","0.098","0.0856","","","0.1843","0.1898","","","","","","1.196","","","","has coordinates,has disorder","252711","2020-10-21","18:00:00",""
"7126277","9.2048","0.0004","15.0598","0.0006","16.5389","0.0007","116.533","0.004","90.512","0.004","99.24","0.003","2016.11","0.17","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 N2 O12 S2 -","- C44 H43 N2 O12 S2 -","- C88 H86 N4 O24 S4 -","2","1","","Tian, Tian; Qian, Tingjuan; Jiang, Tingting; Deng, Yakui; Li, Xiaopei; Yuan, Wei; Chen, Yulan; Wang, Yi-Xuan; Hu, Wenping","A donor-acceptor type macrocycle: toward photolyzable self-assembly.","Chemical communications (Cambridge, England)","2020","56","28","3939","3942","10.1039/d0cc01350a","","x-ray","0.71073","MoKα","","0.1406","0.0629","","","0.1406","0.1671","","","","","","0.997","","","","has coordinates,has disorder","251545","2020-10-21","18:00:00",""
"7126278","11.2862","0.0015","20.4254","0.0012","21.7177","0.0012","90","","124.766","0.002","90","","4112.8","0.6","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 Co F6 N12 O2 P -","- C31 H32 Cl2 Co F6 N12 O2 P -","- C124 H128 Cl8 Co4 F24 N48 O8 P4 -","4","1","","Fleming, Connor; Chung, Dorothy; Ponce, Servando; Brook, David J. R.; DaRos, Jeffrey; Das, Raja; Ozarowski, Andrew; Stoian, Sebastian A.","Valence tautomerism in a cobalt-verdazyl coordination compound.","Chemical communications (Cambridge, England)","2020","56","32","4400","4403","10.1039/d0cc01770a","","","0.7749","synchrotron","","0.0605","0.0528","","","0.1625","0.1722","","","","","","1.059","","","","has coordinates,has disorder","251551","2020-10-21","18:00:00",""
"7126279","15.7805","0.0004","15.7805","0.0004","15.4465","0.0014","90","","90","","90","","3846.6","0.4","150","","150","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H30 Co F12 N12 O2 P2 -","- C30 H30 Co F12 N12 O2 P2 -","- C120 H120 Co4 F48 N48 O8 P8 -","4","0.5","","Fleming, Connor; Chung, Dorothy; Ponce, Servando; Brook, David J. R.; DaRos, Jeffrey; Das, Raja; Ozarowski, Andrew; Stoian, Sebastian A.","Valence tautomerism in a cobalt-verdazyl coordination compound.","Chemical communications (Cambridge, England)","2020","56","32","4400","4403","10.1039/d0cc01770a","","","1.0333","synchrotron","","0.0504","0.0464","","","0.1285","0.1324","","","","","","1.051","","","","has coordinates,has disorder","251551","2020-10-21","18:00:00",""
"7126280","31.0593","0.0013","5.1776","0.0002","21.8198","0.0009","90","","130.591","0.002","90","","2664.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H37 Ca N2 O17 P4 -","- C12 H37 Ca N2 O17 P4 -","- C48 H148 Ca4 N8 O68 P16 -","4","0.5","","Vassaki, Maria; Papathanasiou, Konstantinos E.; Hadjicharalambous, Chrystalleni; Chandrinou, Daphne; Turhanen, Petri; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","Self-sacrificial MOFs for ultra-long controlled release of bisphosphonate anti-osteoporotic drugs.","Chemical communications (Cambridge, England)","2020","56","38","5166","5169","10.1039/d0cc00439a","","","0.71073","MoKα","","0.0423","0.0316","","","0.0795","0.0846","","","","","","1.09","","","","has coordinates,has disorder","252723","2020-10-21","18:00:00",""
"7126281","14.681","0.0006","13.1202","0.0006","13.8859","0.0007","90","","101.214","0.002","90","","2623.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Mg N2 O18 P4 -","- C12 H40 Mg N2 O18 P4 -","- C48 H160 Mg4 N8 O72 P16 -","4","1","","Vassaki, Maria; Papathanasiou, Konstantinos E.; Hadjicharalambous, Chrystalleni; Chandrinou, Daphne; Turhanen, Petri; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","Self-sacrificial MOFs for ultra-long controlled release of bisphosphonate anti-osteoporotic drugs.","Chemical communications (Cambridge, England)","2020","56","38","5166","5169","10.1039/d0cc00439a","","","0.71073","MoKα","","0.0521","0.0387","","","0.0911","0.0976","","","","","","1.075","","","","has coordinates","252723","2020-10-21","18:00:00",""
"7126282","12.5897","0.0004","13.5306","0.0004","12.4892","0.0004","90","","109.919","0.001","90","","2000.21","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Mg N2 O16 P4 -","- C8 H28 Mg N2 O16 P4 -","- C32 H112 Mg4 N8 O64 P16 -","4","1","","Vassaki, Maria; Papathanasiou, Konstantinos E.; Hadjicharalambous, Chrystalleni; Chandrinou, Daphne; Turhanen, Petri; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","Self-sacrificial MOFs for ultra-long controlled release of bisphosphonate anti-osteoporotic drugs.","Chemical communications (Cambridge, England)","2020","56","38","5166","5169","10.1039/d0cc00439a","","","1.54178","CuKα","","0.0438","0.0435","","","0.1123","0.1125","","","","","","1.123","","","","has coordinates,has disorder","252723","2020-10-21","18:00:00",""
"7126283","14.7806","0.0017","19.611","0.002","32.18","0.004","90","","100.277","0.002","90","","9178.1","1.8","99.98","","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106 H62 F20 N8 O6 Sb2 -","- C106 H62 F20 N8 O6 Sb2 -","- C424 H248 F80 N32 O24 Sb8 -","4","1","","Lemon, Christopher M.; Maher, Andrew G.; Mazzotti, Anthony R.; Powers, David C.; Gonzalez, Miguel I.; Nocera, Daniel G.","Multielectron C-H photoactivation with an Sb(v) oxo corrole.","Chemical communications (Cambridge, England)","2020","56","39","5247","5250","10.1039/c9cc09892e","","","0.71073","MoKα","","0.1223","0.0818","","","0.2031","0.2333","","","","","","1.023","","","","has coordinates,has disorder","252710","2020-10-21","18:00:00",""
"7126284","22.483","0.012","12.582","0.007","24.213","0.013","90","","93.89","0.006","90","","6834","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Al1.33 Cl4 N2 O2 -","- C16 H22 Al1.33333 Cl4 N2 O2 -","- C192 H264 Al16 Cl48 N24 O24 -","12","1.5","","Kore, Rajkumar; Kelley, Steven P.; Sawant, Anand D.; Mishra, Manish Kumar; Rogers, Robin D.","Are ionic liquids and liquid coordination complexes really different? - Synthesis, characterization, and catalytic activity of AlCl<sub>3</sub>/base catalysts.","Chemical communications (Cambridge, England)","2020","56","40","5362","5365","10.1039/d0cc01452d","","","0.71073","MoKα","","0.2579","0.1232","","","0.3377","0.395","","","","","","1.077","","","","has coordinates","252714","2020-10-21","18:00:00",""
"7126285","8.4788","0.0002","11.2242","0.0003","9.6038","0.0003","90","","91.3763","0.0015","90","","913.71","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Al2 Cl6 N4 -","- C8 H12 Al2 Cl6 N4 -","- C16 H24 Al4 Cl12 N8 -","2","0.5","","Kore, Rajkumar; Kelley, Steven P.; Sawant, Anand D.; Mishra, Manish Kumar; Rogers, Robin D.","Are ionic liquids and liquid coordination complexes really different? - Synthesis, characterization, and catalytic activity of AlCl<sub>3</sub>/base catalysts.","Chemical communications (Cambridge, England)","2020","56","40","5362","5365","10.1039/d0cc01452d","","","0.71073","MoKα","","0.0461","0.0334","","","0.0829","0.0899","","","","","","1.046","","","","has coordinates","252714","2020-10-21","18:00:00",""
"7126286","5.4468","0.0003","9.8135","0.0006","15.2598","0.001","103.033","0.002","93.291","0.002","97.938","0.003","783.72","0.08","116","2","116.63","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.1062","0.0682","","","0.1594","0.18","","","","","","1.06","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126287","31.768","0.008","5.5762","0.0012","15.75","0.003","90","","108.619","0.003","90","","2644","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N O3.5 S -","- C12.999 H15.999 N O3.4997 S -","- C103.992 H127.992 N8 O27.9976 S8 -","8","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.1169","0.0487","","","0.1249","0.1761","","","","","","1.089","","","","has coordinates,has disorder","252709","2020-10-21","18:00:00",""
"7126288","16.352","0.019","10.823","0.012","9.736","0.011","90","","105.376","0.013","90","","1661","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0658","0.0399","","","0.1194","0.1423","","","","","","1.053","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126289","18.261","0.015","7.799","0.006","12.919","0.011","90","","107.2","0.011","90","","1758","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C84 H76 N4 O12 S4 -","4","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0731","0.0443","","","0.1106","0.1357","","","","","","1.096","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126290","5.432","0.008","9.545","0.014","15.32","0.02","96.31","0.02","93.878","0.019","97.64","0.019","779.8","1.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C34 H34 N2 O6 S2 -","2","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0688","0.0413","","","0.0932","0.1085","","","","","","1.056","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126291","5.8765","0.0017","7.649","0.002","18.388","0.005","92.938","0.004","94.963","0.004","93.182","0.004","820.9","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0643","0.0446","","","0.1197","0.1406","","","","","","1.11","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126292","15.3077","0.0003","17.0493","0.0003","35.2582","0.0008","90","","90","","90","","9201.9","0.3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C112 H98 B F4 Ir2 O4 P4 -","- C112 H98 B F4 Ir2 O4 P4 -","- C448 H392 B4 F16 Ir8 O16 P16 -","4","1","","Sofue, Yuki; Nomura, Kotohiro; Inagaki, Akiko","On-demand hydrogen production from formic acid by light-active dinuclear iridium catalysts.","Chemical communications (Cambridge, England)","2020","56","33","4519","4522","10.1039/d0cc00704h","","","0.71073","MoKα","","0.0726","0.0689","","","0.1663","0.1687","","","","","","1.009","","","","has coordinates","251563","2020-10-21","18:00:00",""
"7126293","9.8433","0.0001","8.532","0.0001","14.8241","0.0002","90","","90","","90","","1244.97","0.03","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0376","0.0373","","","0.0974","0.0976","","","","","","1.07","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126294","10.2018","0.0003","8.5037","0.0002","14.948","0.0004","90","","90","","90","","1296.78","0.06","279.99","0.1","279.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0536","0.0516","","","0.1343","0.138","","","","","","1.081","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126295","9.9126","0.0001","8.5286","0.0001","14.8615","0.0002","90","","90","","90","","1256.4","0.03","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0375","0.0373","","","0.0975","0.0978","","","","","","1.048","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126296","10.0838","0.0001","8.515","0.0001","14.9235","0.0002","90","","90","","90","","1281.38","0.03","240","0.1","240","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0425","0.0415","","","0.108","0.1095","","","","","","1.052","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126297","10.3494","0.0006","8.4866","0.0005","14.9745","0.0008","90","","90","","90","","1315.23","0.13","324.99","0.1","324.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0543","0.0531","","","0.1445","0.147","","","","","","1.034","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126298","10.4242","0.001","8.5078","0.0008","15.0275","0.0014","90","","90","","90","","1332.7","0.2","384.99","0.1","384.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0903","0.0673","","","0.1806","0.244","","","","","","1.179","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126299","10.3262","0.0004","8.4855","0.0003","14.9627","0.0005","90","","90","","90","","1311.08","0.08","304.99","0.1","304.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.05","0.0489","","","0.1338","0.1358","","","","","","1.036","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126300","9.9983","0.0001","8.5234","0.0001","14.8981","0.0002","90","","90","","90","","1269.61","0.03","200.01","0.1","200.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0377","0.0373","","","0.0982","0.0987","","","","","","1.048","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126301","10.135","0.0002","8.5134","0.0001","14.9364","0.0003","90","","90","","90","","1288.76","0.04","260","0.1","260","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0429","0.0421","","","0.1091","0.1107","","","","","","1.041","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126302","10.3809","0.0008","8.4936","0.0007","14.9835","0.0009","90","","90","","90","","1321.11","0.17","344.98","0.1","344.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0668","0.0638","","","0.1839","0.1885","","","","","","1.106","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126303","10.0402","0.0001","8.5197","0.0001","14.913","0.0002","90","","90","","90","","1275.65","0.03","220.01","0.1","220.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.039","0.0386","","","0.1015","0.1019","","","","","","1.028","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126304","10.3982","0.0008","8.5036","0.0007","15.0131","0.0011","90","","90","","90","","1327.49","0.18","364.98","0.1","364.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0694","0.0621","","","0.1702","0.1846","","","","","","1.11","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126305","6.8265","0.0012","7.2475","0.0013","13.022","0.002","87.473","0.005","79.192","0.006","79.227","0.005","621.65","0.18","299","2","299.09","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C22 H32 N4 O8 -","2","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0777","0.0621","","","0.1756","0.1923","","","","","","1.075","","","","has coordinates,has disorder","252717","2020-10-21","18:00:00",""
"7126306","8.872","0.0004","12.3858","0.0007","9.6316","0.0005","90","","90","","90","","1058.39","0.09","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0558","0.0444","","","0.111","0.1218","","","","","","1.033","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126307","9.9477","0.0005","7.5082","0.0005","16.9603","0.0006","90","","90","","90","","1266.75","0.11","297","2","297.05","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","0.5","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0738","0.0527","","","0.1345","0.1534","","","","","","1.087","","","","has coordinates,has disorder","252717","2020-10-21","18:00:00",""
"7126308","6.7495","0.0007","7.182","0.0007","14.8256","0.0013","76.262","0.003","80.534","0.003","62.981","0.003","620.58","0.11","298","2","297.93","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N3 O5 -","- C10 H13 N3 O5 -","- C20 H26 N6 O10 -","2","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0733","0.055","","","0.1378","0.1526","","","","","","1.071","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126309","8.7406","0.0012","13.897","0.002","9.5194","0.0017","90","","90","","90","","1156.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0998","0.0495","","","0.1184","0.1427","","","","","","1.024","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126310","14.405","0.003","6.5909","0.001","14.669","0.002","90","","105.691","0.005","90","","1340.8","0.4","299","2","299.13","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 F3 N2 O3 -","- C11 H13 F3 N2 O3 -","- C44 H52 F12 N8 O12 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.1387","0.0782","","","0.2132","0.2673","","","","","","1.029","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126311","9.8467","0.0005","11.576","0.0005","9.697","0.0004","90","","90.927","0.002","90","","1105.17","0.09","297","2","296.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0633","0.0434","","","0.1097","0.1244","","","","","","1.093","","","","has coordinates,has disorder","252717","2020-10-21","18:00:00",""
"7126312","7.9437","0.0005","10.9876","0.0005","10.2274","0.0005","90","","90.435","0.004","90","","892.64","0.08","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N6 -","- C22 H16 N6 -","- C44 H32 N12 -","2","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.051","0.032","","","0.075","0.0788","","","","","","0.939","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126313","19.5229","0.0005","18.0694","0.0003","8.8084","0.0002","90","","102.32","0.002","90","","3035.76","0.12","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl4 N4 O2 Zn2 -","- C26 H16 Cl4 N4 O2 Zn2 -","- C104 H64 Cl16 N16 O8 Zn8 -","4","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0375","0.0309","","","0.0768","0.0784","","","","","","0.902","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126314","10.6519","0.001","8.1804","0.0006","15.5453","0.0015","90","","97.892","0.008","90","","1341.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Co N4 -","- C12 H12 Cl2 Co N4 -","- C48 H48 Cl8 Co4 N16 -","4","1","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","0.71073","MoKα","","0.0805","0.0461","","","0.105","0.1124","","","","","","0.786","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126315","8.2052","0.0006","8.6043","0.0005","9.7408","0.0006","98.959","0.005","97.49","0.006","115.238","0.005","599.38","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl2 N2 O Zn -","- C11 H8 Cl2 N2 O Zn -","- C22 H16 Cl4 N4 O2 Zn2 -","2","1","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0883","0.0487","","","0.1049","0.1115","","","","","","0.763","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126316","23.7332","0.0011","23.7332","0.0011","11.4025","0.0007","90","","90","","90","","6422.6","0.6","100","","100","","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C68 H76 Cl8 N16 S6 Sn4 Zn4 -","- C68 H76 Cl8 N16 S6 Sn4 Zn4 -","- C136 H152 Cl16 N32 S12 Sn8 Zn8 -","2","0.25","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.1108","0.0868","","","0.2081","0.2328","","","","","","0.947","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126317","15.6802","0.0003","20.3433","0.0003","12.4505","0.0002","90","","109.194","0.001","90","","3750.77","0.11","100","","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C68 H77 N16 O S6 Sn4 -","- C68 H77 N16 O S6 Sn4 -","- C136 H154 N32 O2 S12 Sn8 -","2","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0429","0.0339","","","0.0834","0.0869","","","","","","0.982","","","","has coordinates,has disorder","251585","2020-10-21","18:00:00",""
"7126318","8.2648","0.001","10.0946","0.0009","12.9476","0.0016","104.143","0.009","101.316","0.01","100.545","0.009","996.4","0.2","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H44 Cl4 N8 O2 Ru2 S2 -","- C35 H44 Cl4 N8 O2 Ru2 S2 -","- C35 H44 Cl4 N8 O2 Ru2 S2 -","1","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","x-ray","0.71073","MoKα","","0.0347","0.0295","","","0.0763","0.0785","","","","","","1.05","","","","has coordinates,has disorder","251585","2020-10-21","18:00:00",""
"7126319","25.9881","0.0011","22.3278","0.0007","15.5336","0.0005","90","","90","","90","","9013.5","0.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79.5 H83 Cl7 N16 S6 Sn4 -","- C79.5 H83 Cl7 N16 S6 Sn4 -","- C318 H332 Cl28 N64 S24 Sn16 -","4","1","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0719","0.0543","","","0.1347","0.1414","","","","","","0.896","","","","has coordinates,has disorder","251585","2020-10-21","18:00:00",""
"7126320","18.9774","0.0003","14.0644","0.0002","34.0542","0.0004","90","","91.842","0.001","90","","9084.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H95 B F24 N4 O3 -","- C93 H95 B F24 N4 O3 -","- C372 H380 B4 F96 N16 O12 -","4","1","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","1.54178","CuKα","","0.0853","0.058","","","0.1356","0.1633","","","","","","1.021","","","","has coordinates","251580","2020-10-21","18:00:00",""
"7126321","16.4668","0.0002","21.1135","0.0003","27.6864","0.0003","90","","103.746","0.001","90","","9350.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H99 B Cl2 F24 N4 O3.5 -","- C94.5 H99 B Cl2 F24 N4 O3.5 -","- C378 H396 B4 Cl8 F96 N16 O14 -","4","1","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","1.54178","CuKα","","0.0856","0.0709","","","0.1948","0.2124","","","","","","1.014","","","","has coordinates,has disorder","251580","2020-10-21","18:00:00",""
"7126322","18.6997","0.0004","17.6316","0.0003","20.1905","0.0005","90","","117.532","0.003","90","","5903","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 N4 -","- C66 H100 N4 -","- C264 H400 N16 -","4","1","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","0.71073","MoKα","","0.074","0.0548","","","0.1362","0.1508","","","","","","1.028","","","","has coordinates","251580","2020-10-21","18:00:00",""
"7126323","22.6094","0.0003","17.959","0.0002","29.4427","0.0004","90","","111.156","0.002","90","","11149.2","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H82 N4 O3 -","- C61 H82 N4 O3 -","- C488 H656 N32 O24 -","8","4","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","0.71073","MoKα","","0.0968","0.0656","","","0.1604","0.1866","","","","","","0.99","","","","has coordinates,has disorder","251580","2020-10-21","18:00:00",""
"7126324","5.5867","0.0013","10.71","0.003","28.421","0.008","90","","90","","90","","1700.5","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Pt -","- C21 H30 Pt -","- C84 H120 Pt4 -","4","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","x-ray","0.71073","MoKα","","0.0207","0.0183","","","0.0372","0.0376","","","","","","0.938","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126325","12.7747","0.0006","12.7853","0.0006","13.1193","0.0006","82.101","0.001","88.764","0.001","64.259","0.001","1910.06","0.15","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C74 H63 Au B Cl6 F24 P Pt -","- C74 H63 Au B Cl6 F23.997 P Pt -","- C74 H63 Au B Cl6 F23.997 P Pt -","1","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","","0.71073","MoKα","","0.025","0.023","","","0.056","0.0568","","","","","","1.045","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126326","12.3657","0.0011","15.5627","0.0014","19.1346","0.0018","95.961","0.003","108.064","0.003","101.326","0.003","3378.6","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C71 H57 Au B F24 P Pt -","- C71 H57 Au B F24 P Pt -","- C142 H114 Au2 B2 F48 P2 Pt2 -","2","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","","0.71073","MoKα","","0.0591","0.0386","","","0.0858","0.093","","","","","","1.04","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126327","8.2844","0.0011","8.6986","0.0012","10.7524","0.0015","68.114","0.004","78.9","0.004","68.561","0.004","667.83","0.16","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 Cl O3 -","- C17 H9 Cl O3 -","- C34 H18 Cl2 O6 -","2","1","","Han, Xi; Kong, Lingheng; Feng, Jiami; Li, Xingwei","Rhodium(iii)-catalyzed synthesis of spirocyclic isoindole N-oxides and isobenzofuranones via C-H activation and spiroannulation.","Chemical communications (Cambridge, England)","2020","56","41","5528","5531","10.1039/d0cc00830c","","","0.71073","MoKα","","0.0485","0.0387","","","0.113","0.1287","","","","","","1.184","","","","has coordinates","252692","2020-10-21","18:00:00",""
"7126328","14.2587","0.0001","18.3783","0.0002","25.4318","0.0003","70.965","0.001","78.342","0.001","79.57","0.001","6122.15","0.11","169.99","0.11","169.99","0.11","","","","","","","","5","P 1","P 1","1","","","","- C H N O S -","- C2.93023 H2.82558 N0.395349 O0.72093 S0.0930233 -","- C252 H243 N34 O62 S8 -","86","86","","Wang, Danbo; Kan, Xiaonan; Wu, Chenyu; Gong, Yuzhen; Guo, Guangming; Liang, Tongling; Wang, Lan; Li, Zhibo; Zhao, Yingjie","Charge transfer co-crystals based on donor-acceptor interactions for near-infrared photothermal conversion.","Chemical communications (Cambridge, England)","2020","56","39","5223","5226","10.1039/d0cc01834a","","x-ray","1.54184","CuKα","","0.091","0.0853","","","0.247","0.2536","","","","","","2.08","","","","has coordinates,has disorder","252708","2020-10-21","18:00:00",""
"7126329","6.9644","0.0003","11.4537","0.0005","11.8747","0.0005","97.514","0.003","97.294","0.003","93.446","0.003","928.65","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","amc873.1_150K","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C42 H48 N4 O4 S2 -","2","1","","Molina, Alba; Díaz-Tendero, Sergio; Adrio, Javier; Carretero, Juan C.","Catalytic asymmetric synthesis of diazabicyclo[3.1.0]hexanes by 1,3-dipolar cycloaddition of azomethine ylides with azirines.","Chemical communications (Cambridge, England)","2020","56","37","5050","5053","10.1039/d0cc01061h","","","0.71073","MoKα","","0.059","0.0374","","","0.0929","0.1188","","","","","","1.135","","","","has coordinates","252686","2020-10-21","18:00:00",""
"7126330","8.9247","0.0004","9.9994","0.0004","17.016","0.0008","90.709","0.003","96.541","0.003","116.439","0.002","1347.46","0.11","250","2","250","2","","","","","","","","4","P -1","-P 1","2","amcpyrene_250K","","","- C36 H30 N2 O2 -","- C36 H30 N2 O2 -","- C72 H60 N4 O4 -","2","1","","Molina, Alba; Díaz-Tendero, Sergio; Adrio, Javier; Carretero, Juan C.","Catalytic asymmetric synthesis of diazabicyclo[3.1.0]hexanes by 1,3-dipolar cycloaddition of azomethine ylides with azirines.","Chemical communications (Cambridge, England)","2020","56","37","5050","5053","10.1039/d0cc01061h","","","0.71073","MoKα","","0.1174","0.0487","","","0.1123","0.1524","","","","","","1.015","","","","has coordinates","252686","2020-10-21","18:00:00",""
"7126331","12.9341","0.0002","15.4591","0.0003","20.0358","0.0003","70.853","0.001","79.029","0.001","88.937","0.001","3711.2","0.11","200","","200","","","","","","","","","6","P -1","-P 1","2","AS197","","","- C88 H78 N4 P4 Pt2 Si2 -","- C88 H78 N4 P4 Pt2 Si2 -","- C176 H156 N8 P8 Pt4 Si4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Sharma, Manab; Sinha, Arup; Ward, Jas S.","Semi-bridging σ-silyls as Z-type ligands.","Chemical communications (Cambridge, England)","2020","56","24","3532","3535","10.1039/c9cc07763d","","","0.71073","MoKα","","0.0586","0.0368","","","0.079","0.0875","","","","","","1.025","","","","has coordinates","250128","2020-10-21","18:00:00",""
"7126332","12.6509","0.0003","16.9249","0.0006","17.6665","0.0006","81.189","0.0012","77.4286","0.0016","73.2272","0.0017","3518.3","0.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C85 H75 N4 Ni2 P4 Si2 -","- C85 H75 N4 Ni2 P4 Si2 -","- C170 H150 N8 Ni4 P8 Si4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Sharma, Manab; Sinha, Arup; Ward, Jas S.","Semi-bridging σ-silyls as Z-type ligands.","Chemical communications (Cambridge, England)","2020","56","24","3532","3535","10.1039/c9cc07763d","","","0.71073","MoKα","","0.073","0.0438","","","0.0942","0.1071","","","","","","1.044","","","","has coordinates","250128","2020-10-21","18:00:00",""
"7126333","13.545","0.0003","17.6245","0.0006","17.7005","0.0004","99.727","0.002","103.685","0.002","109.549","0.003","3724.1","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 N4 P4 Pd2 Si2 -","- C88 H78 N4 P4 Pd2 Si2 -","- C176 H156 N8 P8 Pd4 Si4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Sharma, Manab; Sinha, Arup; Ward, Jas S.","Semi-bridging σ-silyls as Z-type ligands.","Chemical communications (Cambridge, England)","2020","56","24","3532","3535","10.1039/c9cc07763d","","x-ray","1.54184","CuKα","","0.063","0.0558","","","0.1423","0.1515","","","","","","1.033","","","","has coordinates","250128","2020-10-21","18:00:00",""
"7126334","15.2966","0.0004","17.7385","0.0003","24.6648","0.0005","90","","95.051","0.002","90","","6666.5","0.2","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C134 H136 Cu4 N8 O30 -","- C116 H94 Cu4 N2 O24 -","- C232 H188 Cu8 N4 O48 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Urabe, Hinano; Legrand, Alexandre; Bonneau, Mickaele; Kusaka, Shinpei; Furukawa, Shuhei","Hysteresis in the gas sorption isotherms of metal-organic cages accompanied by subtle changes in molecular packing.","Chemical communications (Cambridge, England)","2020","56","25","3689","3692","10.1039/d0cc00932f","","x-ray","0.71073","MoKα","","0.0701","0.0541","","","0.1588","0.1694","","","","","","1.039","","","","has coordinates","250129","2020-10-21","18:00:00",""
"7126335","14.2345","0.0003","29.3603","0.0005","16.598","0.0004","90","","111.254","0.003","90","","6465","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128.5 H124 Cu4 N7 O29 -","- C114.1 H91.6 Cu4 N3.4 O25.4 -","- C228.2 H183.2 Cu8 N6.8 O50.8 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Urabe, Hinano; Legrand, Alexandre; Bonneau, Mickaele; Kusaka, Shinpei; Furukawa, Shuhei","Hysteresis in the gas sorption isotherms of metal-organic cages accompanied by subtle changes in molecular packing.","Chemical communications (Cambridge, England)","2020","56","25","3689","3692","10.1039/d0cc00932f","","x-ray","0.71073","MoKα","","0.0754","0.0602","","","0.1634","0.1746","","","","","","1.072","","","","has coordinates,has disorder","250129","2020-10-21","18:00:00",""
"7126336","21.9296","0.0006","9.847","0.0003","22.4505","0.0007","90","","109.159","0.003","90","","4579.5","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Cl2 N8 -","- C51 H60 Cl2 N8 -","- C204 H240 Cl8 N32 -","4","1","","Zhang, Li-Peng; Li, Xianqiang; Liu, Tianlong; Kang, Lin; Huang, Xing; Zhao, Yuxia","A water-soluble pyrazino[2,3-g]quinoxaline photosensitizer for high-efficiency one- and two-photon excited bioimaging and photodynamic therapy.","Chemical communications (Cambridge, England)","2020","56","41","5544","5547","10.1039/d0cc02285c","","x-ray","1.54184","CuKα","","0.097","0.0894","","","0.2619","0.2672","","","","","","1.105","","","","has coordinates,has disorder","252691","2020-10-21","18:00:00",""
"7126337","18.7868","0.0003","9.84896","0.00013","19.3586","0.0003","90","","108.143","0.0017","90","","3403.85","0.09","292.39","0.14","292.39","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N4 O4 -","- C40 H44 N4 O4 -","- C160 H176 N16 O16 -","4","1","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.0435","0.0384","","","0.0992","0.104","","","","","","1.034","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126338","9.3251","0.0003","18.1174","0.0006","10.1704","0.0004","90","","98.755","0.003","90","","1698.23","0.1","292.26","0.11","292.26","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl N2 O3 -","- C19 H19 Cl N2 O3 -","- C76 H76 Cl4 N8 O12 -","4","1","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.0534","0.0436","","","0.1086","0.1177","","","","","","1.056","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126339","9.411","0.0005","9.7287","0.0005","9.9501","0.0006","87.849","0.004","85.541","0.005","72.201","0.005","864.68","0.09","292.49","0.1","292.49","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C40 H44 N4 O6 -","2","1","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.043","0.0388","","","0.109","0.1128","","","","","","1.092","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126340","17.1703","0.0005","9.1104","0.0002","19.1959","0.0006","90","","115.406","0.004","90","","2712.38","0.16","292.59","0.1","292.59","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C136 H128 F8 N8 O16 -","8","2","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.0603","0.0433","","","0.105","0.1189","","","","","","1.05","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126341","11.9106","0.0005","6.1532","0.0003","37.0164","0.0017","90","","97.119","0.004","90","","2692","0.2","173.2","0.1","173.2","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C136 H128 N16 O8 -","4","1","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","x-ray","1.54184","CuKα","","0.0489","0.0396","","","0.098","0.1067","","","","","","1.046","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126342","10.8947","0.0006","17.8622","0.0008","11.5657","0.0006","90","","106.714","0.007","90","","2155.6","0.2","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu F6 N5 O4 -","- C19 H17 Cu F6 N5 O4 -","- C76 H68 Cu4 F24 N20 O16 -","4","1","","Fukatsu, Arisa; Morimoto, Yuma; Sugimoto, Hideki; Itoh, Shinobu","Modelling a 'histidine brace' motif in mononuclear copper monooxygenases.","Chemical communications (Cambridge, England)","2020","56","38","5123","5126","10.1039/d0cc01392g","","","0.71075","MoKα","","0.0522","0.0374","","","0.0812","0.0864","","","","","","1.019","","","","has coordinates,has disorder","252719","2020-10-21","18:00:00",""
"7126343","13.0724","0.0006","19.3867","0.0007","13.9064","0.0007","90","","95.742","0.004","90","","3506.6","0.3","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C100 H146 Br16 Fe8 N42 O2 -","4","1","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0741","0.0526","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates,has disorder","252695","2020-10-21","18:00:00",""
"7126344","11.3683","0.0006","9.5614","0.0005","24.806","0.0014","90","","93.908","0.002","90","","2690.1","0.3","150","2","149.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Au Cl2 N3 P -","- C29 H23 Au Cl2 N3 P -","- C116 H92 Au4 Cl8 N12 P4 -","4","1","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0394","0.026","","","0.0568","0.062","","","","","","1.027","","","","has coordinates,has disorder","252695","2020-10-21","18:00:00",""
"7126345","13.575","0.003","7.1746","0.0017","13.838","0.003","90","","106.575","0.007","90","","1291.8","0.5","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Au Cl N3 -","- C12 H11 Au0.98 Cl N3 -","- C48 H44 Au3.92 Cl4 N12 -","4","1","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0897","0.0547","","","0.1278","0.144","","","","","","0.873","","","","has coordinates,has disorder","252695","2020-10-21","18:00:00",""
"7126346","27.272","0.002","6.921","0.0006","14.9043","0.0014","90","","116.111","0.003","90","","2526.1","0.4","","","199.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2.095 H1.905 B0.19 F0.762 N0.571 -","- C2.09524 H1.90476 B0.190476 F0.761905 N0.571429 -","- C88 H80 B8 F32 N24 -","42","5.25","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0612","0.0458","","","0.1247","0.1358","","","","","","1.1321","","","","has coordinates","252695","2020-10-21","18:00:00",""
"7126347","18.066","0.0007","19.955","0.0007","24.133","0.0008","90","","108.477","0.001","90","","8251.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H94 B6 F6 O12 -","- C89 H54 B6 F6 O12 -","- C356 H216 B24 F24 O48 -","4","0.5","","Takata, Hisatsugu; Ono, Kosuke; Iwasawa, Nobuharu","Controlled release of the guest molecule via borate formation of a fluorinated boronic ester cage.","Chemical communications (Cambridge, England)","2020","56","42","5613","5616","10.1039/d0cc01441a","","x-ray","0.71073","MoKα","","0.1456","0.1295","","","0.4076","0.4332","","","","","","1.931","","","","has coordinates,has disorder","252705","2020-10-21","18:00:00",""
"7126348","20.236","0.003","9.7971","0.0016","17.139","0.003","90","","93.473","0.005","90","","3391.6","1","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C160 H184 N24 -","8","2","","Sathish Kumar, B.; Pati, Narendra N.; Jose, K. V. Jovan; Panda, Pradeepta K.","Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.","Chemical communications (Cambridge, England)","2020","56","42","5637","5640","10.1039/d0cc01447h","","","0.71073","MoKα","","0.1112","0.0596","","","0.1575","0.1849","","","","","","1.045","","","","has coordinates","252699","2020-10-21","18:00:00",""
"7126349","11.3125","0.0017","9.7429","0.0013","17.745","0.003","90","","95.103","0.005","90","","1948","0.5","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 -","- C24 H25 N3 -","- C96 H100 N12 -","4","1","","Sathish Kumar, B.; Pati, Narendra N.; Jose, K. V. Jovan; Panda, Pradeepta K.","Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.","Chemical communications (Cambridge, England)","2020","56","42","5637","5640","10.1039/d0cc01447h","","","0.71073","MoKα","","0.108","0.0603","","","0.1496","0.1727","","","","","","1.036","","","","has coordinates","252699","2020-10-21","18:00:00",""
"7126350","18.2435","0.0015","11.4952","0.0009","18.5875","0.0012","90","","110.086","0.002","90","","3660.9","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C160 H216 N24 O8 -","8","2","","Sathish Kumar, B.; Pati, Narendra N.; Jose, K. V. Jovan; Panda, Pradeepta K.","Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.","Chemical communications (Cambridge, England)","2020","56","42","5637","5640","10.1039/d0cc01447h","","","0.71073","MoKα","","0.0503","0.0408","","","0.1304","0.139","","","","","","1.07","","","","has coordinates","252699","2020-10-21","18:00:00",""
"7126351","28.82","0.009","13.989","0.003","18.95","0.005","90","","103.355","0.006","90","","7433","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Br4 N4 -","- C42 H28 Br4 N4 -","- C336 H224 Br32 N32 -","8","1","","Zhu, Zhongzhi; Lin, Hanze; Liang, Baihui; Huang, Junjie; Liang, Wanyi; Chen, Lu; Huang, Yubing; Chen, Xiuwen; Li, Yibiao","Copper-catalyzed [2+3]-annulation of N-H imines with vinyl azides: access to polyaryl 2H-imidazoles.","Chemical communications (Cambridge, England)","2020","56","42","5621","5624","10.1039/c9cc10042c","","","0.71073","MoKα","","0.1176","0.046","","","0.0906","0.1121","","","","","","1","","","","has coordinates","252700","2020-10-21","18:00:00",""
"7126352","12.1364","0.0003","17.5731","0.0004","22.0778","0.0004","90","","92.7639","0.0017","90","","4703.15","0.18","293.32","0.18","293.32","0.18","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H65 N O2 -","- C48 H64.609 N O2 -","- C192 H258.436 N4 O8 -","4","1","","Xue, Guodong; Hu, Xiaoguang; Chen, Hanjiao; Ge, Lingbing; Wang, Wenxiang; Xiong, Jingyuan; Miao, Fang; Zheng, Yonghao","Understanding the nature of quinoidal and zwitterionic states in carbazole-based diradicals.","Chemical communications (Cambridge, England)","2020","56","38","5143","5146","10.1039/d0cc01948h","","x-ray","1.54184","CuKα","","0.0913","0.0711","","","0.2072","0.231","","","","","","1.027","","","","has coordinates,has disorder","252722","2020-10-21","18:00:00",""
"7126353","15.1373","0.0014","14.4119","0.0013","16.4702","0.0015","90","","90","","90","","3593.1","0.6","242","2","242","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H13 Cl N3 S -","- C21 H14 Cl N3 S -","- C168 H112 Cl8 N24 S8 -","8","1","","Guo, Tao; Wei, Xu-Ning; Zhang, Miao; Liu, Yu; Zhu, Li-Min; Zhao, Yun-Hui","Catalyst and additive-free oxidative dual C-H sulfenylation of imidazoheterocycles with elemental sulfur using DMSO as a solvent and an oxidant.","Chemical communications (Cambridge, England)","2020","56","43","5751","5754","10.1039/d0cc00043d","","","1.54178","cukα","","0.028","0.0276","","","0.075","0.0753","","","","","","1.067","","","","has coordinates","252696","2020-10-21","18:00:00",""
"7126354","8.0283","0.0005","10.563","0.0007","19.1653","0.0013","90","","90","","90","","1625.27","0.18","194","2","194","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Guo, Tao; Wei, Xu-Ning; Zhang, Miao; Liu, Yu; Zhu, Li-Min; Zhao, Yun-Hui","Catalyst and additive-free oxidative dual C-H sulfenylation of imidazoheterocycles with elemental sulfur using DMSO as a solvent and an oxidant.","Chemical communications (Cambridge, England)","2020","56","43","5751","5754","10.1039/d0cc00043d","","","1.54178","cukα","","0.1179","0.1178","","","0.2958","0.2959","","","","","","1.093","","","","has coordinates","252696","2020-10-21","18:00:00",""
"7126355","13.557","0.0009","15.9431","0.0009","12.6454","0.0008","90","","101.401","0.002","90","","2679.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O3 S2 -","- C27 H30 N2 O3 S2 -","- C108 H120 N8 O12 S8 -","4","1","","Reddy, Angula Chandra Shekar; Ramachandran, Kuppan; Reddy, Palagulla Maheswar; Anbarasan, Pazhamalai","Rhodium-catalyzed Sommelet-Hauser type rearrangement of α-diazoimines: synthesis of functionalized enamides.","Chemical communications (Cambridge, England)","2020","56","42","5649","5652","10.1039/d0cc00016g","","","0.71073","MoKα","","0.1161","0.0605","","","0.1537","0.1988","","","","","","1.066","","","","has coordinates,has disorder","252704","2020-10-21","18:00:00",""
"7126356","6.0865","0.001","17.576","0.004","20.351","0.003","90","","90","","90","","2177.1","0.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","1","","Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao","Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.","Chemical communications (Cambridge, England)","2020","56","43","5763","5766","10.1039/d0cc01100b","","x-ray","0.71073","MoKα","","0.096","0.0701","","","0.164","0.1832","","","","","","1.022","","","","has coordinates","252694","2020-10-21","18:00:00",""
"7126357","7.8212","0.0006","5.9264","0.0004","16.1736","0.0011","90","","91.155","0.007","90","","749.52","0.09","100","0.1","100","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C18 H12 N2 S2 -","- C18 H12 N2 S2 -","- C36 H24 N4 S4 -","2","0.5","","Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao","Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.","Chemical communications (Cambridge, England)","2020","56","43","5763","5766","10.1039/d0cc01100b","","x-ray","0.71073","MoKα","","0.0374","0.0352","","","0.0798","0.0822","","","","","","1.047","","","","has coordinates","252694","2020-10-21","18:00:00",""
"7126358","6.9853","0.0019","8.3741","0.0016","14.638","0.003","90","","99.28","0.02","90","","845.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","","Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao","Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.","Chemical communications (Cambridge, England)","2020","56","43","5763","5766","10.1039/d0cc01100b","","x-ray","0.71073","MoKα","","0.0646","0.0532","","","0.1579","0.1685","","","","","","1.069","","","","has coordinates","252694","2020-10-21","18:00:00",""
"7126359","10.2475","0.0006","4.8212","0.0002","15.131","0.0008","90","","109.221","0.006","90","","705.88","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H12 B2 F4 N4 O -","- C12 H12 B2 F4 N4 O -","- C24 H24 B4 F8 N8 O2 -","2","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0813","0.0857","","","","","","1.112","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126360","23.933","0.001","12.5943","0.0006","4.744","0.0002","90","","90","","90","","1429.93","0.11","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H11 B2 F4 N3 O2 -","- C12 H11 B2 F4 N3 O2 -","- C48 H44 B8 F16 N12 O8 -","4","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0549","0.04","","","0.09","0.099","","","","","","1.063","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126361","12.9329","0.0011","4.8706","0.0004","19.777","0.002","90","","103.631","0.009","90","","1210.68","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B2 F4 N3 O -","- C9 H11 B2 F4 N3 O -","- C36 H44 B8 F16 N12 O4 -","4","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.063","0.0461","","","0.1242","0.1302","","","","","","1.039","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126362","8.1042","0.0006","9.7049","0.0009","10.4691","0.001","80.218","0.008","86.082","0.008","87.104","0.007","808.9","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 B2 F4 N4 O -","- C14 H16 B2 F4 N4 O -","- C28 H32 B4 F8 N8 O2 -","2","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0682","0.0508","","","0.1169","0.1332","","","","","","1.039","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126363","16.155","0.004","17.629","0.003","18.2","0.004","76.749","0.008","76.424","0.009","74.29","0.02","4773.6","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60.63 H55.12 B2 N5 -","- C60.6328 H55.1216 B2 N5 -","- C242.531 H220.486 B8 N20 -","4","2","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0844","0.0492","","","0.1102","0.1278","","","","","","1.016","","","","has coordinates,has disorder","252707","2020-10-21","18:00:00",""
"7126364","10.776","0.004","12.867","0.004","15.077","0.004","99.007","0.01","108.967","0.015","90.735","0.009","1948.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 B2 N5 -","- C45 H53 B2 N5 -","- C90 H106 B4 N10 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0785","0.0533","","","0.1287","0.1449","","","","","","1.016","","","","has coordinates","252707","2020-10-21","18:00:00",""
"7126365","10.5695","0.0002","15.3466","0.0003","16.2221","0.0003","65.195","0.002","87.805","0.002","72.0887","0.0019","2260.22","0.09","99.97","0.11","99.97","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 B2 F3 N4.87 -","- C52 H58 B2 F3 N4.8662 -","- C104 H116 B4 F6 N9.7324 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","1.54184","CuKα","","0.0555","0.0521","","","0.1424","0.1452","","","","","","1.032","","","","has coordinates,has disorder","252707","2020-10-21","18:00:00",""
"7126366","13.097","0.005","14.799","0.007","14.975","0.005","63.842","0.016","85.29","0.02","64.034","0.018","2320","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H64 B2 N6 -","- C52.994 H63.994 B2 N6 -","- C105.988 H127.988 B4 N12 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0678","0.0472","","","0.1156","0.1258","","","","","","1.038","","","","has coordinates,has disorder","252707","2020-10-21","18:00:00",""
"7126367","8.538","0.002","11.12","0.003","21.468","0.006","98.92","0.01","91.29","0.016","96.808","0.012","1997.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H58 B2 N4 -","- C47 H58 B2 N4 -","- C94 H116 B4 N8 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0641","0.0498","","","0.1255","0.1349","","","","","","1.029","","","","has coordinates","252707","2020-10-21","18:00:00",""
"7126368","12.36","0.004","29.522","0.009","35.0152","0.001","90","","90","","90","","12777","6","123","","123","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C50 H60 Au6 F12 N8 O2 P2 S4 -","- C50 H60 Au6 F12 N8 O2 P2 S4 -","- C400 H480 Au48 F96 N64 O16 P16 S32 -","8","0.25","","Salorinne, Kirsi; Man, Renee W. Y.; Lummis, Paul A.; Hazer, Maryam Sabooni Asre; Malola, Sami; Yim, Jacky C.-H.; Veinot, Alex J.; Zhou, Wenxia; Häkkinen, Hannu; Nambo, Masakazu; Crudden, Cathleen M.","Synthesis and properties of an Au<sub>6</sub> cluster supported by a mixed N-heterocyclic carbene-thiolate ligand.","Chemical communications (Cambridge, England)","2020","56","45","6102","6105","10.1039/d0cc01482f","","","0.71075","MoKα","","0.0227","0.0178","","","0.0413","0.042","","","","","","0.992","","","","has coordinates,has disorder","253825","2020-10-21","18:00:00",""
"7126369","9.2685","0.0003","9.2937","0.0003","10.4915","0.0003","66.938","0.001","78.837","0.001","79.362","0.001","809.82","0.04","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 Au Br N2 O S -","- C14 H18 Au Br N2 O S -","- C28 H36 Au2 Br2 N4 O2 S2 -","2","1","","Salorinne, Kirsi; Man, Renee W. Y.; Lummis, Paul A.; Hazer, Maryam Sabooni Asre; Malola, Sami; Yim, Jacky C.-H.; Veinot, Alex J.; Zhou, Wenxia; Häkkinen, Hannu; Nambo, Masakazu; Crudden, Cathleen M.","Synthesis and properties of an Au<sub>6</sub> cluster supported by a mixed N-heterocyclic carbene-thiolate ligand.","Chemical communications (Cambridge, England)","2020","56","45","6102","6105","10.1039/d0cc01482f","","","0.71073","MoKα","","0.0215","0.0193","","","0.0488","0.0497","","","","","","1.107","","","","has coordinates","253825","2020-10-21","18:00:00",""
"7126370","25.557","0.009","5.612","0.002","25.398","0.009","90","","113.817","0.008","90","","3333","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 B O2 -","- C20 H23 B O2 -","- C160 H184 B8 O16 -","8","1","","Maza, Ricardo J.; Royes, Jordi; Carbó, Jorge J; Fernández, Elena","Consecutive borylcupration/C-C coupling of γ-alkenyl aldehydes towards diastereoselective 2-(borylmethyl)cycloalkanols.","Chemical communications (Cambridge, England)","2020","56","44","5973","5976","10.1039/d0cc02263b","","","0.71073","MoKα","","0.134","0.0704","","","0.1672","0.1981","","","","","","1.045","","","","has coordinates","252682","2020-10-21","18:00:00",""
"7126371","17.9052","0.0016","6.4987","0.0006","19.8249","0.0016","90","","100.138","0.003","90","","2270.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 B O3 -","- C26 H35 B O3 -","- C104 H140 B4 O12 -","4","1","","Maza, Ricardo J.; Royes, Jordi; Carbó, Jorge J; Fernández, Elena","Consecutive borylcupration/C-C coupling of γ-alkenyl aldehydes towards diastereoselective 2-(borylmethyl)cycloalkanols.","Chemical communications (Cambridge, England)","2020","56","44","5973","5976","10.1039/d0cc02263b","","","0.71073","MoKα","","0.1147","0.0663","","","0.1626","0.1886","","","","","","1.025","","","","has coordinates,has disorder","252682","2020-10-21","18:00:00",""
"7126372","20.314","0.005","24.463","0.005","28.508","0.006","90","","91.975","0.005","90","","14158","5","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C169 H128 Ce20 Cl16 N3 O62 -","- C169 H128 Ce20 Cl16 N3 O62 -","- C338 H256 Ce40 Cl32 N6 O124 -","2","1","","Russell-Webster, Bradley; Abboud, Khalil A.; Christou, George","Molecular nanoparticles of cerium dioxide: structure-directing effect of halide ions.","Chemical communications (Cambridge, England)","2020","56","40","5382","5385","10.1039/c9cc08419c","","","0.71073","MoKα","","0.1421","0.0582","","","0.1302","0.1711","","","","","","0.976","","","","has coordinates","252713","2020-10-21","18:00:00",""
"7126373","14.683","0.009","14.726","0.01","14.909","0.01","60.518","0.011","65.035","0.011","62.487","0.01","2408","3","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Ce3 F0.5 N1.5 O15.5 -","- C48 H37.88 Ce3 F0.46 N1.5 O15.54 -","- C96 H75.76 Ce6 F0.92 N3 O31.08 -","2","1","","Russell-Webster, Bradley; Abboud, Khalil A.; Christou, George","Molecular nanoparticles of cerium dioxide: structure-directing effect of halide ions.","Chemical communications (Cambridge, England)","2020","56","40","5382","5385","10.1039/c9cc08419c","","","0.71073","MoKα","","0.0371","0.0299","","","0.0737","0.0788","","","","","","1.024","","","","has coordinates,has disorder","252713","2020-10-21","18:00:00",""
"7126374","6.9699","0.0003","10.2021","0.0003","14.9823","0.0008","72.265","0.004","77.347","0.004","82.211","0.004","987.37","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Bashir, Muhammad Adnan; Zuo, Honghua; Lu, Xunbo; Wu, Yuzhou; Zhong, Fangrui","Harnessing structurally unbiased ortho-benzoquinone monoimine for biomimetic oxidative [4+2] cycloaddition with enamines.","Chemical communications (Cambridge, England)","2020","56","44","5965","5968","10.1039/d0cc01813a","","x-ray","1.54184","CuKα","","0.0599","0.0553","","","0.1514","0.1545","","","","","","1.055","","","","has coordinates","252674","2020-10-21","18:00:00",""
"7126375","14.2332","0.0015","16.4798","0.0017","19.285","0.002","112.704","0.002","92.701","0.003","103.281","0.003","4014.6","0.7","110","2","109.99","","","","","","","","","8","P -1","-P 1","2","","","","- C89 H70 Cl8 F6 N8 Ni4 O6 P -","- C89 H70 Cl8 F6 N8 Ni4 O6 P -","- C178 H140 Cl16 F12 N16 Ni8 O12 P2 -","2","1","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.2391","0.0905","","","0.1576","0.2162","","","","","","1.0202","","","","has coordinates","254904","2020-10-21","18:00:00",""
"7126376","13.084","0.006","15.98","0.008","22.737","0.011","107.838","0.009","105.17","0.009","95.623","0.009","4285","4","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H30 N4 Ni2 O3 -","- C41 H30 N4 Ni2 O3 -","- C164 H120 N16 Ni8 O12 -","4","2","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.1716","0.075","","","0.1598","0.2089","","","","","","0.9182","","","","has coordinates","254904","2020-10-21","18:00:00",""
"7126377","17.673","0.009","19","0.009","19.53","0.008","87.662","0.012","78.355","0.015","89.016","0.017","6417","5","110","2","110","","","","","","","","","8","P -1","-P 1","2","","","","- C71.5 H30 B Cl3 F20 N4 Ni2 O3 -","- C71.5 H30 B Cl3 F20 N4 Ni2 O3 -","- C286 H120 B4 Cl12 F80 N16 Ni8 O12 -","4","2","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.1639","0.1084","","","0.3016","0.3499","","","","","","1.0956","","","","has coordinates","254904","2020-10-21","18:00:00",""
"7126378","17.902","0.0012","28.102","0.0016","19.0679","0.0011","90","","90.382","0.004","90","","9592.5","1","99.96","","99.96","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C184 H72 B4 Cl12 F80 N8 Ni4 O6 -","- C184 H72 B4 Cl12 F80 N8 Ni4 O6 -","- C368 H144 B8 Cl24 F160 N16 Ni8 O12 -","2","0.5","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.2041","0.1122","","","0.3049","0.405","","","","","","1.2705","","","","has coordinates","254904","2020-10-21","18:00:00",""
"7126379","10.0493","0.0006","12.6674","0.0011","14.606","0.0013","79.358","0.007","80.034","0.006","89.938","0.006","1798.9","0.3","300","0.2","300","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","2","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.2271","0.0786","","","0.1727","0.253","","","","","","0.896","","","","has coordinates","252702","2020-10-21","18:00:00",""
"7126380","27.197","0.005","3.7093","0.0004","26.924","0.004","90","","94.626","0.016","90","","2707.3","0.7","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H44 F8 N4 O14 -","- C64 H44 F8 N4 O14 -","- C128 H88 F16 N8 O28 -","2","0.5","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.2978","0.1678","","","0.3146","0.3715","","","","","","1.075","","","","has coordinates,has disorder","252702","2020-10-21","18:00:00",""
"7126381","3.8999","0.0002","34.7661","0.0018","11.4896","0.0007","90","","94.404","0.005","90","","1553.21","0.15","299","0.1","299","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F2 N O3 -","- C19 H13 F2 N O3 -","- C76 H52 F8 N4 O12 -","4","1","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.0769","0.0509","","","0.112","0.1293","","","","","","1.047","","","","has coordinates,has disorder","252702","2020-10-21","18:00:00",""
"7126382","3.7762","0.0004","29.2094","0.0016","13.5261","0.0009","90","","96.309","0.007","90","","1482.9","0.2","299","0.1","299","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F4 N2 O6 -","- C36 H24 F4 N2 O6 -","- C72 H48 F8 N4 O12 -","2","0.5","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.1097","0.0521","","","0.0957","0.1175","","","","","","0.998","","","","has coordinates,has disorder","252702","2020-10-21","18:00:00",""
"7126383","13.8684","0.0003","30.4814","0.0007","16.1283","0.0005","90","","97.72","0.003","90","","6756.1","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Dy(Cp*)2(Et3NAlMe3)][Al(OC(CF3)3)4]","","- C108 H123 Al4 Cl3 Dy2 F72 N2 O8 -","- C108 H123 Al4 Cl3 Dy2 F72 N2 O8 -","- C216 H246 Al8 Cl6 Dy4 F144 N4 O16 -","2","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.085","0.072","","","0.205","0.2188","","","","","","1.141","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126384","9.253","0.0013","15.4572","0.0012","18.3771","0.0016","90","","94.016","0.01","90","","2621.9","0.5","150","0.3","150","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Y(Cp*)2(Me)2Li(THF)]","","- C26 H44 Li O Y -","- C26 H44 Li O Y -","- C104 H176 Li4 O4 Y4 -","4","1","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","0.71073","MoKα","","0.176","0.0954","","","0.1757","0.2121","","","","","","1.074","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126385","14.14639","0.00009","30.4739","0.0002","16.04187","0.0001","90","","98.2178","0.0006","90","","6844.57","0.08","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[Dy@Y(Cp*)2(Me3AlNEt3)]2[Al{OC(CF3)3}4]2(C6H5Cl)3","","- C108 H123 Al4 Cl3 Dy0.2 F72 N2 O8 Y1.8 -","- C108 H123 Al4 Cl3 Dy0.2 F72 N2 O8 Y1.8 -","- C216 H246 Al8 Cl6 Dy0.4 F144 N4 O16 Y3.6 -","2","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.0465","0.0419","","","0.1161","0.1198","","","","","","1.041","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126386","14.1215","0.0002","30.3026","0.0003","16.0232","0.0002","90","","98.421","0.001","90","","6782.7","0.15","100.02","0.1","100.02","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Y(Cp*)2(Me3AlNEt3)]2[Al{OC(CF3)3}4]2(C6H5Cl)3","","- C108 H123 Al4 Cl3 F72 N2 O8 Y2 -","- C108 H123 Al4 Cl3 F72 N2 O8 Y2 -","- C216 H246 Al8 Cl6 F144 N4 O16 Y4 -","2","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.0861","0.0716","","","0.2097","0.227","","","","","","1.033","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126387","11.2354","0.0003","12.454","0.0003","14.8193","0.0002","103.894","0.0017","100.299","0.0017","111.86","0.002","1783.5","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C76 H116 Al2 Y2 -","- C76 H116 Al2 Y2 -","- C76 H116 Al2 Y2 -","1","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.0449","0.0443","","","0.1277","0.128","","","","","","1.155","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126388","11.1938","0.0003","12.4457","0.0007","14.8073","0.0005","104.043","0.004","100.205","0.003","111.785","0.004","1774.66","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C76 H116 Al2 Dy2 -","- C76 H116 Al2 Dy2 -","- C76 H116 Al2 Dy2 -","1","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","0.71073","MoKα","","0.1235","0.0941","","","0.2336","0.2574","","","","","","1.0363","","","","has coordinates","252703","2020-10-21","18:00:00",""
"7126389","15.5064","0.0011","21.8874","0.0016","31.229","0.002","90","","101.817","0.001","90","","10374.3","1.2","200","2","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C101 H104 Al B Dy2 F36 O4 -","- C101 H104 Al B Dy2 F36 O4 -","- C404 H416 Al4 B4 Dy8 F144 O16 -","4","1","","Errulat, Dylan; Gabidullin, Bulat; Mansikkamäki, Akseli; Murugesu, Muralee","Two heads are better than one: improving magnetic relaxation in the dysprosium metallocene upon dimerization by use of an exceptionally weakly-coordinating anion.","Chemical communications (Cambridge, England)","2020","56","44","5937","5940","10.1039/d0cc01980a","","","0.71073","MoKα","","0.0607","0.0395","","","0.0923","0.108","","","","","","1.11","","","","has coordinates,has disorder","252678","2020-10-21","18:00:00",""
"7126390","15.04","0.006","13.437","0.005","16.768","0.007","90","","111.168","0.006","90","","3160","2","123.15","","123.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H31 B Cl F8 N2 P S2 -","- C27 H30 B F8 N2 P S2 -","- C108 H120 B4 F32 N8 P4 S8 -","4","1","","Adachi, Yohei; Arai, Fuka; Jäkle, Frieder","Extended conjugated borenium dimers via late stage functionalization of air-stable borepinium ions.","Chemical communications (Cambridge, England)","2020","56","38","5119","5122","10.1039/d0cc02514c","","","0.71075","MoKα","","0.0961","0.0719","","","0.2067","0.2323","","","","","","1.117","","","","has coordinates","252720","2020-10-21","18:00:00",""
"7126391","11.906","0.005","21.361","0.009","13.77","0.006","90","","105.875","0.006","90","","3368","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.1003","0.0543","","","0.1323","0.1431","","","","","","1.042","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126392","8.842","0.0013","13.473","0.002","14.699","0.002","83.102","0.002","79.47","0.002","89.425","0.002","1709","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","2","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.0824","0.0504","","","0.125","0.1424","","","","","","1.025","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126393","33.89","0.02","9.68","0.007","18.339","0.013","90","","115.521","0.009","90","","5429","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H60 N2 O8 P2 -","- C63 H60 N2 O8 P2 -","- C252 H240 N8 O32 P8 -","4","0.5","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.1032","0.0658","","","0.1887","0.221","","","","","","1.024","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126394","15.037","0.007","5.654","0.003","16.695","0.008","90","","116.037","0.005","90","","1275.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.0505","0.0385","","","0.1035","0.1124","","","","","","1.012","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126395","22.4595","0.0004","12.1952","0.0002","24.7641","0.0004","90","","102.513","0.001","90","","6621.73","0.19","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 B Br Mo N6 O5 P2 Pt -","- C66 H82 B Br Mo N6 O5 P2 Pt -","- C264 H328 B4 Br4 Mo4 N24 O20 P8 Pt4 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","","0.71073","MoKα","","0.0518","0.0334","","","0.0726","0.0771","","","","","","1.047","","","","has coordinates,has disorder","252701","2020-10-21","18:00:00",""
"7126396","11.3977","0.0001","30.1539","0.0004","13.2985","0.0001","90","","109.428","0.001","90","","4310.25","0.08","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C76 H82 B2 Br2 Cl8 Mo2 N12 O4 P2 Pd2 -","- C76 H82 B2 Br2 Cl8 Mo2 N12 O4 P2 Pd2 -","- C152 H164 B4 Br4 Cl16 Mo4 N24 O8 P4 Pd4 -","2","0.5","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","","0.71073","MoKα","","0.0483","0.0435","","","0.1083","0.1105","","","","","","1.074","","","","has coordinates,has disorder","252701","2020-10-21","18:00:00",""
"7126397","9.5923","0.0001","22.6404","0.0004","23.4154","0.0003","90","","98.636","0.001","90","","5027.55","0.12","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B Br N6 O2 P2 Pt W -","- C54 H52 B Br N6 O2 P2 Pt W -","- C216 H208 B4 Br4 N24 O8 P8 Pt4 W4 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.0452","0.0371","","","0.0925","0.0979","","","","","","1.032","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126398","42.971","0.003","10.446","0.0005","20.5602","0.001","90","","94.607","0.006","90","","9199.1","0.9","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 B Br Mo N6 O2 P2 Pd -","- C44 H46 B Br Mo N6 O2 P2 Pd -","- C352 H368 B8 Br8 Mo8 N48 O16 P16 Pd8 -","8","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.162","0.096","","","0.2556","0.3206","","","","","","1.004","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126399","27.0575","0.0004","11.7128","0.0002","29.6534","0.0003","90","","104.965","0.001","90","","9079","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C82 H92 B2 Br2 Mo2 N12 O7 P2 Pd2 -","- C72 H74 B2 Br2 Mo2 N12 O4 P2 Pd2 -","- C288 H296 B8 Br8 Mo8 N48 O16 P8 Pd8 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.0707","0.0565","","","0.1312","0.1374","","","","","","1.049","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126400","26.9732","0.0005","11.6694","0.0002","29.657","0.0005","90","","105.134","0.001","90","","9011.1","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C82 H99 B2 Br2 Mo2 N12 O6.5 P2 Pt2 -","- C82 H99 B2 Br2 Mo2 N12 O6.5 P2 Pt2 -","- C328 H396 B8 Br8 Mo8 N48 O26 P8 Pt8 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","","0.71073","MoKα","","0.0644","0.0458","","","0.1031","0.1082","","","","","","1.075","","","","has coordinates,has disorder","252701","2020-10-21","18:00:00",""
"7126401","11.41","0.0004","13.4275","0.0005","17.2454","0.0005","85.274","0.003","87.055","0.002","70.772","0.003","2485.43","0.15","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C39 H40 B Br Cl9 N6 O2 P Pd W -","- C39 H40 B Br Cl9 N6 O2 P Pd W -","- C78 H80 B2 Br2 Cl18 N12 O4 P2 Pd2 W2 -","2","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","0.71073","MoKα","","0.05","0.0398","","","0.0842","0.0892","","","","","","1.047","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126402","21.7995","0.0004","12.8236","0.0002","22.874","0.0004","90","","111.409","0.002","90","","5953.2","0.2","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 B Br N6 O2 P2 Pd W -","- C54 H52 B Br N6 O2 P2 Pd W -","- C216 H208 B4 Br4 N24 O8 P8 Pd4 W4 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.0617","0.0505","","","0.1278","0.1347","","","","","","1.052","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126403","10.797","0.0012","16.6498","0.0018","24.697","0.003","90","","95.768","0.004","90","","4417.2","0.9","301","2","301.47","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Au N3 -","- C48 H58 Au N3 -","- C192 H232 Au4 N12 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.1095","0.0555","","","0.0938","0.1146","","","","","","1.045","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126404","18.2744","0.0015","10.4465","0.0007","17.007","0.0012","90","","90","","90","","3246.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H34 Cl2 I N -","- C34 H34 Cl2 I N -","- C136 H136 Cl8 I4 N4 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0545","0.034","","","0.0655","0.0758","","","","","","1.05","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126405","8.822","0.002","20.173","0.005","21.011","0.006","90","","93.993","0.011","90","","3730.2","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Cl3 N2 Pd -","- C41 H45 Cl3 N2 Pd -","- C164 H180 Cl12 N8 Pd4 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0968","0.0746","","","0.1728","0.1921","","","","","","1.033","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126406","15.3922","0.0002","14.4465","0.0002","16.7191","0.0002","90","","115.716","0.001","90","","3349.5","0.08","170","2","170","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C63 H78 Au B2 F8 N5 Pd -","- C63 H78 Au B2 F8 N5 Pd -","- C126 H156 Au2 B4 F16 N10 Pd2 -","2","0.5","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","1.34139","GaKα","","0.0442","0.039","","","0.0901","0.0929","","","","","","1.059","","","","has coordinates,has disorder","253790","2020-10-21","18:00:00",""
"7126407","14.4529","0.0003","13.4595","0.0003","21.5529","0.0006","90","","93.956","0.001","90","","4182.67","0.17","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Au F3 N O3 P S -","- C46 H42 Au F3 N O3 P S -","- C184 H168 Au4 F12 N4 O12 P4 S4 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0373","0.0271","","","0.0551","0.0593","","","","","","1.028","","","","has coordinates,has disorder","253790","2020-10-21","18:00:00",""
"7126408","13.9859","0.0004","14.735","0.0004","15.1208","0.0003","84.537","0.001","82.442","0.001","89.562","0.001","3074.99","0.14","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C59 H70 Au Cl2 F3 N O5 P3 Pd S -","- C59 H70 Au Cl2 F3 N O5 P3 Pd S -","- C118 H140 Au2 Cl4 F6 N2 O10 P6 Pd2 S2 -","2","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0228","0.0209","","","0.0495","0.0507","","","","","","1.023","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126409","11.453","0.0015","11.453","0.0015","22.637","0.003","90","","90","","120","","2571.5","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H28 Br12 Cu6 N4 Pb -","- C12 H28 Br12 Cu6 N4 Pb -","- C36 H84 Br36 Cu18 N12 Pb3 -","3","0.166667","","Jing, Chang-Qing; Wu, Jia-Hang; Cao, Yao-Yao; Che, Hang-Xin; Zhao, Xian-Mei; Yue, Meng; Liao, Yuan-Yuan; Yue, Cheng-Yang; Lei, Xiao-Wu","A three-dimensional cuprous lead bromide framework with highly efficient and stable thermochromic luminescence properties.","Chemical communications (Cambridge, England)","2020","56","44","5925","5928","10.1039/d0cc01779e","","","0.71073","MoKα","","0.0305","0.026","","","0.0616","0.063","","","","","","1.101","","","","has coordinates","252684","2020-10-21","18:00:00",""
"7126410","16.722","0.004","7.3514","0.0016","20.934","0.004","90","","102.85","0.02","90","","2509","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Wang, Ya; Zhou, Yao; Song, Qiuling","[3+1+1] type cyclization of ClCF<sub>2</sub>COONa for the assembly of imidazoles and tetrazoles via in situ generated isocyanides.","Chemical communications (Cambridge, England)","2020","56","45","6106","6109","10.1039/d0cc01919d","","x-ray","0.71073","MoKα","","0.0698","0.0487","","","0.1396","0.1543","","","","","","1.004","","","","has coordinates","253823","2020-10-21","18:00:00",""
"7126411","9.7747","0.0009","5.6834","0.0005","14.3307","0.0013","90","","96.261","0.009","90","","791.37","0.12","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","1","","Wang, Ya; Zhou, Yao; Song, Qiuling","[3+1+1] type cyclization of ClCF<sub>2</sub>COONa for the assembly of imidazoles and tetrazoles via in situ generated isocyanides.","Chemical communications (Cambridge, England)","2020","56","45","6106","6109","10.1039/d0cc01919d","","x-ray","0.71073","MoKα","","0.0774","0.0483","","","0.1295","0.1511","","","","","","1.037","","","","has coordinates","253823","2020-10-21","18:00:00",""
"7126412","8.1279","0.0014","8.6652","0.0015","18.746","0.002","90","","96.939","0.014","90","","1310.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Wang, Ya; Zhou, Yao; Song, Qiuling","[3+1+1] type cyclization of ClCF<sub>2</sub>COONa for the assembly of imidazoles and tetrazoles via in situ generated isocyanides.","Chemical communications (Cambridge, England)","2020","56","45","6106","6109","10.1039/d0cc01919d","","x-ray","0.71073","MoKα","","0.1216","0.0743","","","0.1881","0.218","","","","","","1.112","","","","has coordinates","253823","2020-10-21","18:00:00",""
"7126413","11.7669","0.001","12.1939","0.001","15.1362","0.0012","102.506","0.002","97.611","0.002","102.676","0.002","2031.3","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H46 N4 -","- C53 H46 N4 -","- C106 H92 N8 -","2","1","","Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang","Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.","Chemical communications (Cambridge, England)","2020","56","44","5957","5960","10.1039/d0cc01738h","","","0.71073","MoKα","","0.1327","0.0758","","","0.1994","0.2624","","","","","","1.012","","","","has coordinates,has disorder","252673","2020-10-21","18:00:00",""
"7126414","18.369","0.003","16.572","0.002","20.32","0.003","90","","99.726","0.003","90","","6096.7","1.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C77 H64 N6 -","- C77 H64 N6 -","- C308 H256 N24 -","4","1","","Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang","Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.","Chemical communications (Cambridge, England)","2020","56","44","5957","5960","10.1039/d0cc01738h","","","0.71073","MoKα","","0.231","0.0627","","","0.0851","0.122","","","","","","0.824","","","","has coordinates","252673","2020-10-21","18:00:00",""
"7126415","12.351","0.002","18.25","0.003","19.587","0.004","101.343","0.004","93.315","0.004","108.024","0.004","4082.9","1.3","188","2","188","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H96 N6 -","- C93 H96 N6 -","- C186 H192 N12 -","2","1","","Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang","Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.","Chemical communications (Cambridge, England)","2020","56","44","5957","5960","10.1039/d0cc01738h","","","0.71073","MoKα","","0.1887","0.0773","","","0.1865","0.2452","","","","","","1.013","","","","has coordinates,has disorder","252673","2020-10-21","18:00:00",""
"7126416","12.652","0.004","18.915","0.004","21.672","0.005","90","","105.25","0.02","90","","5004","2","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H58 N8 O24 Zn3 -","- C94 H58 N8 O24 Zn3 -","- C188 H116 N16 O48 Zn6 -","2","1","","Li, Peng; Sui, Qi; Guo, Meng-Yue; Yang, Shuai-Liang; Bu, Ran; Gao, En-Qing","Selective chemochromic and chemically-induced photochromic response of a metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","44","5929","5932","10.1039/d0cc01627f","","","1.54178","CuKα","","0.0762","0.061","","","0.1682","0.1849","","","","","","0.995","","","","has coordinates,has disorder","252677","2020-10-21","18:00:00",""
"7126417","11.5787","0.0004","16.5844","0.0005","17.9315","0.0006","90","","90","","90","","3443.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","2","","Velázquez, Marta; Alberca, Saúl; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M; Monge, David","Catalytic enantioselective synthesis of α-aryl α-hydrazino esters and amides.","Chemical communications (Cambridge, England)","2020","56","43","5823","5826","10.1039/d0cc02478c","","","1.54178","CuKα","","0.0255","0.0254","","","0.0738","0.0741","","","","","","0.626","","","","has coordinates","252698","2020-10-21","18:00:00",""
"7126418","12.8037","0.0004","17.1488","0.0005","15.3764","0.0004","90","","104.478","0.003","90","","3268.95","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl6 N2 Pd -","- C28 H38 Cl6 N2 Pd -","- C112 H152 Cl24 N8 Pd4 -","4","1","","Guillet, Sébastien G; Voloshkin, Vladislav A.; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","Understanding existing and designing novel synthetic routes to Pd-PEPPSI-NHC and Pd-PEPPSI-PR<sub>3</sub> pre-catalysts.","Chemical communications (Cambridge, England)","2020","56","44","5953","5956","10.1039/d0cc02262d","","x-ray","1.54184","CuKα","","0.0746","0.0559","","","0.1446","0.1635","","","","","","1.03","","","","has coordinates","252683","2020-10-21","18:00:00",""
"7126419","8.8655","0.0002","10.7674","0.0002","22.2732","0.0004","90","","93.155","0.002","90","","2122.94","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","VL134","","- C23 H20 Cl2 N P Pd -","- C23 H20 Cl2 N P Pd -","- C92 H80 Cl8 N4 P4 Pd4 -","4","1","","Guillet, Sébastien G; Voloshkin, Vladislav A.; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","Understanding existing and designing novel synthetic routes to Pd-PEPPSI-NHC and Pd-PEPPSI-PR<sub>3</sub> pre-catalysts.","Chemical communications (Cambridge, England)","2020","56","44","5953","5956","10.1039/d0cc02262d","","x-ray","0.71073","MoKα","","0.0419","0.0293","","","0.0557","0.061","","","","","","1.04","","","","has coordinates","252683","2020-10-21","18:00:00",""
"7126420","26.6806","0.0001","15.682","0.0001","11.6312","0.0001","90","","90","","90","","4866.55","0.06","100","0.1","100","0.1","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C41 H59 Cl7 N6 Pd2 -","- C41 H59 Cl7 N6 Pd2 -","- C164 H236 Cl28 N24 Pd8 -","4","1","","Guillet, Sébastien G; Voloshkin, Vladislav A.; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","Understanding existing and designing novel synthetic routes to Pd-PEPPSI-NHC and Pd-PEPPSI-PR<sub>3</sub> pre-catalysts.","Chemical communications (Cambridge, England)","2020","56","44","5953","5956","10.1039/d0cc02262d","","x-ray","1.54184","CuKα","","0.0231","0.0216","","","0.0536","0.0544","","","","","","1.027","","","","has coordinates","252683","2020-10-21","18:00:00",""
"7126421","7.1411","0.0005","7.8726","0.0005","10.6572","0.0006","102.1","0.004","92.658","0.004","101.463","0.004","571.71","0.06","120","2","119.99","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","1.54178","CuKα","","0.0549","0.0389","","","0.095","0.1003","","","","","","1.02","","","","has coordinates","252693","2020-10-21","18:00:00",""
"7126422","13.804","0.004","13.802","0.005","16.169","0.003","90","","90.79","0.06","90","","3080.3","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N O5 P -","- C16 H20 N O5 P -","- C128 H160 N8 O40 P8 -","8","2","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","0.82653","synchrotron","","0.0943","0.0876","","","0.2328","0.2403","","","","","","1.063","","","","has coordinates,has disorder","252693","2020-10-21","18:00:00",""
"7126423","27.777","0.008","14.271","0.0013","26.502","0.0019","90","","115.444","0.005","90","","9487","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 Cl3 Eu F9 N2 O21 S3 -","- C32 H31 Cl3 Eu F9 N2 O21 S3 -","- C256 H248 Cl24 Eu8 F72 N16 O168 S24 -","8","1","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","0.79473","","","0.1879","0.1521","","","0.3876","0.4581","","","","","","1.781","","","","has coordinates","252693","2020-10-21","18:00:00",""
"7126424","15.919","0.006","13.486","0.009","24.95","0.006","90","","105.115","0.005","90","","5171","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Eu F9 N2 O24 P2 S3 -","- C35 H50 Eu F9 N2 O24 P2 S3 -","- C140 H200 Eu4 F36 N8 O96 P8 S12 -","4","1","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","0.82653","synchrotron","","0.0583","0.0552","","","0.1565","0.1587","","","","","","1.051","","","","has coordinates,has disorder","252693","2020-10-21","18:00:00",""
"7126425","11.152","0.002","12.967","0.003","13.78","0.003","113.934","0.004","105.531","0.005","98.396","0.005","1679.9","0.6","296","","296.26","","","","","","","","","6","P -1","-P 1","2","BODIPY","","","- C39 H38 B F2 N3 O5 -","- C39 H38 B F2 N3 O5 -","- C78 H76 B2 F4 N6 O10 -","2","1","","Ou, Changjin; Zhang, Yewei; Ge, Wei; Zhong, Liping; Huang, Yong; Si, Weili; Wang, Wenjun; Zhao, Yongxiang; Dong, Xiaochen","A three-dimensional BODIPY-iron(iii) compound with improved H<sub>2</sub>O<sub>2</sub>-response for NIR-II photoacoustic imaging guided chemodynamic/photothermal therapy.","Chemical communications (Cambridge, England)","2020","56","46","6281","6284","10.1039/d0cc01164a","","","0.71073","MoKα","","0.1658","0.0991","","","0.1891","0.2216","","","","","","1.104","","","","has coordinates","253793","2020-10-21","18:00:00",""
"7126426","11.719","0.007","22.281","0.013","20.337","0.012","90","","91.485","0.008","90","","5308","5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Fe3 N12 O2 -","- C64 H54 Fe3 N12 O2 -","- C256 H216 Fe12 N48 O8 -","4","1","","Hyun, Sung-Min; Upadhyay, Apoorva; Das, Anuvab; Burns, Corey P.; Sung, Siyoung; Beaty, Jeremy D.; Bhuvanesh, Nattamai; Nippe, Michael; Powers, David C.","Kinetic versus thermodynamic metalation enables synthesis of isostructural homo- and heterometallic trinuclear clusters.","Chemical communications (Cambridge, England)","2020","56","44","5893","5896","10.1039/d0cc02346a","","x-ray","0.71073","MoKα","","0.1457","0.0589","","","0.1106","0.1397","","","","","","0.993","","","","has coordinates,has disorder","252676","2020-10-21","18:00:00",""
"7126427","11.5922","0.0011","22.523","0.002","20.5743","0.0019","90","","92.1491","0.0014","90","","5368","0.9","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H54.36 N12 O2.18 Zn3 -","- C64 H54.36 N12 O2.18 Zn3 -","- C256 H217.44 N48 O8.72 Zn12 -","4","1","","Hyun, Sung-Min; Upadhyay, Apoorva; Das, Anuvab; Burns, Corey P.; Sung, Siyoung; Beaty, Jeremy D.; Bhuvanesh, Nattamai; Nippe, Michael; Powers, David C.","Kinetic versus thermodynamic metalation enables synthesis of isostructural homo- and heterometallic trinuclear clusters.","Chemical communications (Cambridge, England)","2020","56","44","5893","5896","10.1039/d0cc02346a","","","1.54178","CuKα","","0.0376","0.035","","","0.0853","0.0876","","","","","","1.06","","","","has coordinates,has disorder","252676","2020-10-21","18:00:00",""
"7126428","11.664","0.0007","22.4568","0.0014","20.4213","0.0013","90","","91.781","0.003","90","","5346.5","0.6","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Fe2 N12 O2 Zn -","- C64 H54 Fe2.0001 N12 O2 Zn0.9999 -","- C256 H216 Fe8.0004 N48 O8 Zn3.9996 -","4","1","","Hyun, Sung-Min; Upadhyay, Apoorva; Das, Anuvab; Burns, Corey P.; Sung, Siyoung; Beaty, Jeremy D.; Bhuvanesh, Nattamai; Nippe, Michael; Powers, David C.","Kinetic versus thermodynamic metalation enables synthesis of isostructural homo- and heterometallic trinuclear clusters.","Chemical communications (Cambridge, England)","2020","56","44","5893","5896","10.1039/d0cc02346a","","","1.54178","CuKα","","0.0336","0.0333","","","0.0823","0.0825","","","","","","1.061","","","","has coordinates,has disorder","252676","2020-10-21","18:00:00",""
"7126429","24.928","0.002","24.515","0.002","25.527","0.002","90","","112.915","0.005","90","","14369","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.99 H28.37 K1.15 Mn3.25 Na O15.73 -","- C19.9875 H28.37 K1.15 Mn3.25 Na O15.725 -","- C319.8 H453.92 K18.4 Mn52 Na16 O251.6 -","16","2","","Liu, Shuai; Deng, Youmei; Xu, Feng","An inorganic-organic hybrid Mn<sup>III</sup>{Mn}<sub>2</sub> cluster consisting of rare Lindqvist-like Mn<sub>6</sub> subunits with high proton conductivity.","Chemical communications (Cambridge, England)","2020","56","45","6066","6069","10.1039/d0cc01827a","","","0.71073","MoKα","","0.0905","0.0722","","","0.233","0.2519","","","","","","1.03","","","","has coordinates","253826","2020-10-21","18:00:00",""
"7126430","8.0514","0.0002","29.7733","0.0007","12.8449","0.0003","90","","92.127","0.002","90","","3077.02","0.13","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 O -","- C44 H34 O -","- C176 H136 O4 -","4","1","","Mori, Sakura; Akita, Motoko; Suzuki, Shuichi; Asano, Motoko S.; Murata, Michihisa; Akiyama, Tsuyoshi; Matsumoto, Taisuke; Kitamura, Chitoshi; Kato, Shin-Ichiro","Open-shell singlet diradicaloid difluoreno[4,3-b:3',4'-d]furan and its radical cation and dianion.","Chemical communications (Cambridge, England)","2020","56","44","5881","5884","10.1039/d0cc01638a","","x-ray","0.71073","MoKα","","0.0478","0.0404","","","0.1032","0.1078","","","","","","1.051","","","","has coordinates","252675","2020-10-21","18:00:00",""
"7126431","8.229","0.002","12.2589","0.0017","19.08","0.004","90","","90.203","0.012","90","","1924.7","0.7","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B Ba6 Cl9 O3 -","- B Ba6 Cl9 O3 -","- B4 Ba24 Cl36 O12 -","4","1","","Li, Wei; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba<sub>6</sub>BO<sub>3</sub>Cl<sub>9</sub> and Pb<sub>6</sub>BO<sub>4</sub>Cl<sub>7</sub>: structural insights into ortho-borates with uncondensed BO<sub>4</sub> tetrahedra.","Chemical communications (Cambridge, England)","2020","56","45","6086","6089","10.1039/d0cc01927e","","","0.71073","MoKα","","0.0485","0.0339","","","0.0683","0.071","","","","","","1.273","","","","has coordinates","253824","2020-10-21","18:00:00",""
"7126432","8.001","0.003","8.054","0.003","13.116","0.005","89.522","0.013","89.663","0.014","69.942","0.012","793.9","0.5","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- B Cl7 O4 Pb6 -","- B Cl7 O4 Pb6 -","- B2 Cl14 O8 Pb12 -","2","1","","Li, Wei; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba<sub>6</sub>BO<sub>3</sub>Cl<sub>9</sub> and Pb<sub>6</sub>BO<sub>4</sub>Cl<sub>7</sub>: structural insights into ortho-borates with uncondensed BO<sub>4</sub> tetrahedra.","Chemical communications (Cambridge, England)","2020","56","45","6086","6089","10.1039/d0cc01927e","","","0.71073","MoKα","","0.0832","0.0481","","","0.093","0.1089","","","","","","1.005","","","","has coordinates","253824","2020-10-21","18:00:00",""
"7126433","10.1095","0.0005","14.6951","0.0006","16.0516","0.0006","70.598","0.004","79.739","0.004","77.184","0.004","2178.99","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0513","0.0436","","","0.1192","0.1241","","","","","","1.022","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126434","8.4132","0.0007","9.9177","0.0008","15.6851","0.0011","74.475","0.007","86.897","0.006","66.845","0.008","1157.49","0.18","350","0.1","350","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C48 H58 B2 F4 O6 -","2","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0877","0.0625","","","0.2003","0.2195","","","","","","1.069","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126435","8.5049","0.0007","9.9575","0.0009","15.6872","0.0012","74.405","0.007","86.917","0.007","66.543","0.008","1171.72","0.19","399.99","0.11","399.99","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C48 H58 B2 F4 O6 -","2","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1015","0.0678","","","0.2202","0.2471","","","","","","1.061","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126436","10.1447","0.0006","15.1024","0.0008","16.1256","0.0008","70.107","0.005","78.921","0.004","78.57","0.005","2256.1","0.2","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0761","0.057","","","0.155","0.1663","","","","","","1.039","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126437","7.6754","0.0004","19.1327","0.0009","10.149","0.0005","90","","102.782","0.005","90","","1453.46","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0568","0.0435","","","0.1077","0.1141","","","","","","1.076","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126438","10.1293","0.0006","14.9169","0.0007","16.0997","0.0007","70.326","0.004","79.384","0.004","77.847","0.004","2222.2","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0649","0.0513","","","0.1401","0.1487","","","","","","1.038","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126439","10.1217","0.0005","14.766","0.0007","16.0705","0.0007","70.555","0.004","79.713","0.004","77.319","0.004","2195.03","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0555","0.0454","","","0.123","0.1292","","","","","","1.027","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126440","10.1611","0.0006","15.2065","0.0009","16.1543","0.0009","70.258","0.005","78.911","0.005","79.039","0.005","2284.2","0.2","299.99","0.1","299.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0918","0.0622","","","0.1754","0.1933","","","","","","1.046","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126441","7.1609","0.0002","10.0337","0.0003","48.7164","0.0015","90","","90","","90","","3500.29","0.18","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0836","0.0692","","","0.1594","0.1652","","","","","","1.112","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126442","7.9445","0.0007","19.2382","0.0016","10.3606","0.0011","90","","104.183","0.01","90","","1535.2","0.3","400","0.2","400","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1104","0.054","","","0.1451","0.1742","","","","","","1.037","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126443","7.8494","0.0004","19.191","0.001","10.3146","0.0005","90","","103.76","0.005","90","","1509.18","0.14","300.01","0.19","300.01","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1096","0.0695","","","0.2074","0.2595","","","","","","0.967","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126444","7.7481","0.0004","19.1442","0.0007","10.2334","0.0004","90","","103.133","0.004","90","","1478.23","0.11","199.98","0.1","199.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0612","0.0446","","","0.1124","0.1211","","","","","","1.07","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126445","7.1936","0.0015","10.205","0.003","50.76","0.04","90","","90","","90","","3726","3","399.9","0.3","399.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1737","0.1104","","","0.3171","0.3638","","","","","","1.072","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126446","7.2099","0.001","10.1738","0.0009","49.415","0.006","90","","90","","90","","3624.7","0.7","300","0.17","300","0.17","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1356","0.0887","","","0.2518","0.2803","","","","","","1.046","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126447","7.175","0.0002","10.0917","0.0003","49.0041","0.0013","90","","90","","90","","3548.29","0.17","200.03","0.16","200.03","0.16","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0933","0.0729","","","0.1964","0.2066","","","","","","1.095","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126448","10.1246","0.0003","16.0039","0.0005","18.3736","0.0006","90","","90","","90","","2977.13","0.16","149.99","","149.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N4 O5 -","- C31 H38 N4 O5 -","- C124 H152 N16 O20 -","4","1","","Wang, Donglei; Jiang, Qianwen; Yang, Xiaoyu","Atroposelective synthesis of configurationally stable nonbiaryl N-C atropisomers through direct asymmetric aminations of 1,3-benzenediamines.","Chemical communications (Cambridge, England)","2020","56","46","6201","6204","10.1039/d0cc02368j","","","1.54178","CuKα","","0.0456","0.0411","","","0.1029","0.1066","","","","","","1.036","","","","has coordinates","253797","2020-10-21","18:00:00",""
"7126449","7.7357","0.0015","12.816","0.003","13.522","0.003","110.78","0.03","103.66","0.03","96.17","0.03","1190.6","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cl4 Cu2 N10 O -","- C16 H24 Cl4 Cu2 N10 O -","- C32 H48 Cl8 Cu4 N20 O2 -","2","1","","Schäfer, Dominic; Fink, Fabian; Kleinschmidt, Denise; Keisers, Kristina; Thomas, Fabian; Hoffmann, Alexander; Pich, Andrij; Herres-Pawlis, Sonja","Enhanced catalytic activity of copper complexes in microgels for aerobic oxidation of benzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","42","5601","5604","10.1039/d0cc02433c","","x-ray","0.71073","MoKα","","0.0736","0.0659","","","0.1694","0.1753","","","","","","1.097","","","","has coordinates","252706","2020-10-21","18:00:00",""
"7126450","10.5637","0.0003","7.3903","0.0002","13.8954","0.0004","90","","98.8924","0.0011","90","","1071.76","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 B F10 N S -","- C23 H16 B F10 N S -","- C46 H32 B2 F20 N2 S2 -","2","1","","Fischer, Malte; Schmidtmann, Marc","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>- and HB(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>-mediated transformations of isothiocyanates.","Chemical communications (Cambridge, England)","2020","56","46","6205","6208","10.1039/d0cc02626c","","","0.71073","MoKα","","0.0399","0.0375","","","0.0983","0.1","","","","","","1.091","","","","has coordinates","253791","2020-10-21","18:00:00",""
"7126451","17.8332","0.0005","9.0061","0.0002","13.2032","0.0003","90","","90","","90","","2120.53","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 O8 Zn2 -","- C16 H20 O8 Zn2 -","- C64 H80 O32 Zn8 -","4","1","","Zhang, Jiajia; Cui, Fang; Li, Li; Liu, Yang; Zhang, Xiao; Cui, Tieyu","From coordination polymers to nanocrystals: general and facile synthesis of ultra-small metal oxide nanocrystals.","Chemical communications (Cambridge, England)","2020","56","45","6145","6148","10.1039/d0cc01248c","","","0.71073","MoKα","","0.036","0.0299","","","0.0637","0.0675","","","","","","1.07","","","","has coordinates","253822","2020-10-21","18:00:00",""
"7126452","5.0814","0.0002","6.9825","0.0003","17.0804","0.0008","90","","93.994","0.002","90","","604.56","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 N3 O5 -","- C14 H5 N3 O5 -","- C28 H10 N6 O10 -","2","0.5","","Niazi, Muhammad Rizwan; Hamzehpoor, Ehsan; Ghamari, Pegah; Perepichka, Igor F.; Perepichka, Dmitrii F.","Nitroaromatics as n-type organic semiconductors for field effect transistors.","Chemical communications (Cambridge, England)","2020","56","47","6432","6435","10.1039/d0cc01236j","","x-ray","1.54178","CuKα","","0.0374","0.0356","","","0.1015","0.1047","","","","","","1.053","","","","has coordinates,has disorder","253808","2020-10-21","18:00:00",""
"7126453","6.4066","0.0006","18.6435","0.0016","9.8389","0.001","90","","96.696","0.003","90","","1167.16","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N2 O3 -","- C14 H10 Cu N2 O3 -","- C56 H40 Cu4 N8 O12 -","4","1","","Khanra, Somnath; Ta, Sabyasachi; Paladhi, Ankush; Ghosh, Milan; Ghosh, Subhasis; Hira, Sumit Kumar; Manna, Partha Partim; Brandão, Paula; Félix, Vítor; Das, Debasis","A polynuclear Cu(ii) complex for real time monitoring of mitochondrial cytochrome C release during cellular apoptosis.","Chemical communications (Cambridge, England)","2020","56","48","6563","6566","10.1039/d0cc01606c","","","0.71073","MoKα","","0.0711","0.0531","","","0.1377","0.1461","","","","","","1.134","","","","has coordinates","253812","2020-10-21","18:00:00",""
"7126454","12.7633","0.0004","18.502","0.0006","24.5224","0.0008","90","","96.5057","0.001","90","","5753.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","NaBArF.L1","EI33","","- C52 H48 B F24 N2 Na O7 -","- C52 H48 B F24 N2 Na O7 -","- C208 H192 B4 F96 N8 Na4 O28 -","4","1","","Iniesta, Ester; Vidal-Ferran, Anton","Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.","Chemical communications (Cambridge, England)","2020","56","47","6364","6367","10.1039/d0cc00224k","","","0.71073","MoKα","","0.1199","0.068","","","0.1701","0.2003","","","","","","1.03","","","","has coordinates,has disorder","253809","2020-10-21","18:00:00",""
"7126455","10.5906","0.0005","25.0689","0.0013","12.4435","0.0006","90","","92.9669","0.0017","90","","3299.3","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[Cu(NaPF6.L1)]PF6","EI_0","","- C44 H82 Cl0 Cu2 F24 N4 Na2 O15 P4 -","- C44 H82 Cu2 F24 N4 Na2 O15 P4 -","- C88 H164 Cu4 F48 N8 Na4 O30 P8 -","2","0.5","","Iniesta, Ester; Vidal-Ferran, Anton","Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.","Chemical communications (Cambridge, England)","2020","56","47","6364","6367","10.1039/d0cc00224k","","","0.71073","MoKα","","0.0608","0.0424","","","0.0911","0.0976","","","","","","1.049","","","","has coordinates,has disorder","253809","2020-10-21","18:00:00",""
"7126456","11.243","0.0009","12.5262","0.001","14.6345","0.001","64.708","0.002","87.283","0.002","73.184","0.002","1776.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Cu(NaPF6.L2)]PF6","EI200","","- C24 H44 Cu F12 N2 Na O9 P2 -","- C24 H44 Cu F12 N2 Na O9 P2 -","- C48 H88 Cu2 F24 N4 Na2 O18 P4 -","2","1","","Iniesta, Ester; Vidal-Ferran, Anton","Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.","Chemical communications (Cambridge, England)","2020","56","47","6364","6367","10.1039/d0cc00224k","","","0.71073","MoKα","","0.0736","0.05","","","0.1226","0.1377","","","","","","1.021","","","","has coordinates,has disorder","253809","2020-10-21","18:00:00",""
"7126457","25.516","0.003","5.6738","0.0005","21.937","0.002","90","","110.176","0.006","90","","2981","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C120 H112 F24 N8 O16 S8 -","8","1","","Zeng, Hao; Zhu, Chuanle; Liu, Chi; Cai, Yingying; Chen, Fulin; Jiang, Huanfeng","Three component hydroxyletherification and hydroxylazidation of (trifluoromethyl)alkenes: access to α-trifluoromethyl β-heteroatom substituted tertiary alcohols.","Chemical communications (Cambridge, England)","2020","56","46","6241","6244","10.1039/d0cc02550j","","","0.71073","MoKα","","0.1356","0.0621","","","0.102","0.1313","","","","","","1.026","","","","has coordinates","253796","2020-10-21","18:00:00",""
"7126458","8.1522","0.0003","4.739","0.0002","9.7711","0.0004","90","","99.908","0.004","90","","371.86","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 F O4 -","- C6 H11 F O4 -","- C12 H22 F2 O8 -","2","1","","Valverde, Pablo; Vendeville, Jean-Baptiste; Hollingsworth, Kristian; Mattey, Ashley P.; Keenan, Tessa; Chidwick, Harriet; Ledru, Helene; Huonnic, Kler; Huang, Kun; Light, Mark E.; Turner, Nicholas; Jiménez-Barbero, Jesús; Galan, M. Carmen; Fascione, Martin A.; Flitsch, Sabine; Turnbull, W. Bruce; Linclau, Bruno","Chemoenzymatic synthesis of 3-deoxy-3-fluoro-l-fucose and its enzymatic incorporation into glycoconjugates.","Chemical communications (Cambridge, England)","2020","56","47","6408","6411","10.1039/d0cc02209h","","x-ray","0.71073","MoKα","","0.0304","0.0296","","","0.0785","0.0791","","","","","","1.075","","","","has coordinates","253810","2020-10-21","18:00:00",""
"7126459","23.926","0.005","13.52","0.003","47.134","0.009","90","","98.006","0.003","90","","15098","5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H118 Al2 N6 O2 -","- C73 H110 Al2 N6 O -","- C584 H880 Al16 N48 O8 -","8","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.1173","0.0761","","","0.1972","0.2136","","","","","","1.107","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126460","11.946","0.002","14.183","0.003","21.699","0.004","71.614","0.006","88.934","0.006","76.753","0.006","3390.2","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H108 Al2 N8 -","- C70 H108 Al2 N8 -","- C140 H216 Al4 N16 -","2","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0648","0.0498","","","0.1443","0.1623","","","","","","1.005","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126461","12.9012","0.001","15.4561","0.0013","22.3126","0.0017","100.431","0.003","95.38","0.003","110.218","0.003","4046.7","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C85.5 H128 Al2 N8 -","- C82 H124 Al2 N8 -","- C164 H248 Al4 N16 -","2","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0774","0.0548","","","0.127","0.1368","","","","","","1.021","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126462","13.092","0.003","17.852","0.004","21.332","0.005","90.53","0.003","90.05","0.003","96.922","0.002","4949","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C215 H318 Al4 N16 Na2 O4 -","- C215 H317 Al4 N16 Na2 O4 -","- C215 H317 Al4 N16 Na2 O4 -","1","0.5","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.1368","0.0843","","","0.1938","0.2259","","","","","","1.072","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126463","12.7376","0.0009","12.7376","0.0009","22.3806","0.0015","90","","90","","90","","3631.2","0.4","159","2","159","2","","","","","","","","4","P 41","P 4w","76","","","","- C37 H59 Al N4 -","- C37 H59 Al N4 -","- C148 H236 Al4 N16 -","4","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0427","0.0356","","","0.0837","0.0881","","","","","","1.06","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126464","20.25","0.003","12.5817","0.0017","18.94","0.003","90","","90","","90","","4825.5","1.2","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C53 H75 Al N4 -","- C53 H75 Al N4 -","- C212 H300 Al4 N16 -","4","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0362","0.0321","","","0.0669","0.0688","","","","","","1.035","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126465","9.5534","0.0003","9.6302","0.0003","10.2451","0.0002","74.922","0.002","85.722","0.002","61.931","0.003","801.8","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 I O4 -","- C17 H13 I O4 -","- C34 H26 I2 O8 -","2","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","1.54184","CuKα","","0.0413","0.0378","","","0.1012","0.1074","","","","","","1.081","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126466","8.7643","0.0003","9.1745","0.0003","20.1935","0.0008","90","","90","","90","","1623.72","0.1","100.02","0.1","100.02","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 F I O4 -","- C18 H14 F I O4 -","- C72 H56 F4 I4 O16 -","4","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.0566","0.0597","","","","","","1.021","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126467","8.0931","0.0001","13.1306","0.0002","15.5266","0.0002","90","","95.488","0.002","90","","1642.41","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 I O4 -","- C19 H15 I O4 -","- C76 H60 I4 O16 -","4","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","1.54184","CuKα","","0.0512","0.0449","","","0.1206","0.126","","","","","","1.068","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126468","9.8357","0.0002","10.4353","0.0003","10.4634","0.0003","111.642","0.002","106.312","0.002","106.245","0.002","865.1","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 I O5 -","- C19 H17 I O5 -","- C38 H34 I2 O10 -","2","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0362","0.0317","","","0.0743","0.0762","","","","","","1.024","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126469","9.2645","0.0002","22.2327","0.0006","18.2492","0.0005","90","","101.504","0.003","90","","3683.36","0.17","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H14 F3 I O4 -","- C19 H14 F3 I O4 -","- C152 H112 F24 I8 O32 -","8","2","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0554","0.0494","","","0.1195","0.1251","","","","","","1.003","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126470","10.5655","0.0004","14.926","0.0005","11.4963","0.0004","90","","107.437","0.004","90","","1729.66","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 I O4 -","- C19 H17 I O4 -","- C76 H68 I4 O16 -","4","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0449","0.0363","","","0.0854","0.09","","","","","","1.048","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126471","17.8896","0.0005","11.8315","0.0003","14.1427","0.0004","90","","90","","90","","2993.46","0.14","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H40 Cl2 Cu2 N2 O3 P2 -","- C24 H40 Cl2 Cu2 N2 O3 P2 -","- C96 H160 Cl8 Cu8 N8 O12 P8 -","4","1","","Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J","Unexpected reactivity of a PONNOP 'expanded pincer' ligand.","Chemical communications (Cambridge, England)","2020","56","59","8198","8201","10.1039/d0cc02166k","","","0.71073","MoKα","","0.05","0.0385","","","0.0871","0.0923","","","","","","1.103","","","","has coordinates","254909","2020-10-21","18:00:00",""
"7126472","7.8506","0.0007","8.205","0.0005","9.6512","0.0008","111.818","0.004","100.304","0.003","97.698","0.003","554","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H38 Cl2 Ni O2 P2 -","- C16 H38 Cl2 Ni O2 P2 -","- C16 H38 Cl2 Ni O2 P2 -","1","0.5","","Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J","Unexpected reactivity of a PONNOP 'expanded pincer' ligand.","Chemical communications (Cambridge, England)","2020","56","59","8198","8201","10.1039/d0cc02166k","","","0.71073","MoKα","","0.0801","0.0536","","","0.1247","0.1351","","","","","","1.089","","","","has coordinates","254909","2020-10-21","18:00:00",""
"7126473","8.2836","0.0006","11.8373","0.0009","16.2323","0.001","93.988","0.003","96.686","0.004","93.178","0.003","1573.77","0.19","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H44 Br2 N2 Ni O3.5 P2 -","- C26 H44 Br2 N2 Ni O3.5 P2 -","- C52 H88 Br4 N4 Ni2 O7 P4 -","2","1","","Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J","Unexpected reactivity of a PONNOP 'expanded pincer' ligand.","Chemical communications (Cambridge, England)","2020","56","59","8198","8201","10.1039/d0cc02166k","","","0.71073","MoKα","","0.0994","0.0552","","","0.1392","0.1618","","","","","","1.04","","","","has coordinates,has disorder","254909","2020-10-21","18:00:00",""
"7126474","5.8059","0.0008","5.8059","0.0008","13.905","0.002","90","","90","","90","","468.72","0.11","293","","293","","0.57418","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.0518","0.76512","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126475","5.6443","0.0008","5.6443","0.0008","13.507","0.002","90","","90","","90","","430.31","0.11","293","","293","","3.07546","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.69348","0.91599","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126476","5.7051","0.0006","5.7051","0.0006","13.6603","0.0017","90","","90","","90","","444.62","0.09","293","","293","","1.92173","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.16516","0.91772","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126477","5.6753","0.001","5.6753","0.001","13.593","0.003","90","","90","","90","","437.82","0.15","293","","293","","2.40666","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.41142","0.82697","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126478","5.5997","0.001","5.5997","0.001","13.351","0.003","90","","90","","90","","418.64","0.14","293","","293","","4.33309","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.06001","0.97468","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126479","5.758","0.0007","5.758","0.0007","13.794","0.002","90","","90","","90","","457.33","0.1","293","","293","","1.16279","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","3.11534","0.82313","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126480","5.7382","0.0007","5.7382","0.0007","13.747","0.002","90","","90","","90","","452.65","0.1","293","","293","","1.4238","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.14265","0.81428","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126481","5.5308","0.0015","5.5308","0.0015","13.126","0.004","90","","90","","90","","401.5","0.2","293","","293","","6.47717","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.88669","1.04323","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126482","5.5604","0.0012","5.5604","0.0012","13.245","0.004","90","","90","","90","","409.51","0.18","293","","293","","5.23993","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.8254","1.01741","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126483","16.32","0.005","16.974","0.005","19.292","0.006","88.171","0.007","70.164","0.007","62.671","0.006","4417","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 Cd3 N4 O14 -","- C78 H54 Cd3 N4 O14 -","- C156 H108 Cd6 N8 O28 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1899","0.0949","","","0.2847","0.3477","","","","","","1.025","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126484","16.4","0.003","16.98","0.003","20.488","0.003","92.38","0.004","111.486","0.004","116.958","0.003","4581.4","1.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H73 Cd3 Cl3 N6 O14 -","- C89 H73 Cd3 Cl3 N6 O14 -","- C178 H146 Cd6 Cl6 N12 O28 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1571","0.0943","","","0.228","0.2572","","","","","","1.048","","","","has coordinates,has disorder","252681","2020-10-21","18:00:00",""
"7126485","16.36","0.007","17.031","0.007","19.943","0.009","89.551","0.012","69.596","0.011","62.889","0.009","4559","3","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.1 H58.4 Cd3 Cl3 N4.5 O13.7 -","- C81.1 H58.36 Cd3 Cl3 N4.5 O13.7 -","- C162.2 H116.72 Cd6 Cl6 N9 O27.4 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1704","0.1155","","","0.2686","0.2945","","","","","","1.134","","","","has coordinates,has disorder","252681","2020-10-21","18:00:00",""
"7126486","16.754","0.002","16.894","0.002","18.001","0.003","66.663","0.004","77.37","0.004","62.283","0.003","4137.7","1","192","2","192","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H49 Cd3 N3 O14 -","- C69 H49 Cd3 N3 O14 -","- C138 H98 Cd6 N6 O28 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1287","0.0727","","","0.171","0.1977","","","","","","1.025","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126487","16.377","0.003","17.024","0.004","20.123","0.004","90.241","0.005","110.656","0.005","117.102","0.004","4580.7","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H62.1 Cd3 N5.1 O13.5 -","- C83.5 H62.1 Cd3 N5.1 O13.5 -","- C167 H124.2 Cd6 N10.2 O27 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1627","0.1305","","","0.2806","0.2999","","","","","","1.127","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126488","16.459","0.005","17.028","0.005","20.704","0.006","92.164","0.008","111.745","0.007","117.015","0.007","4650","2","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H83 Cd3 Cl3 N7 O15 -","- C94 H83 Cd3 Cl3 N7 O15 -","- C188 H166 Cd6 Cl6 N14 O30 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1693","0.0848","","","0.1957","0.2304","","","","","","1.043","","","","has coordinates,has disorder","252681","2020-10-21","18:00:00",""
"7126489","16.713","0.003","16.927","0.002","17.944","0.003","65.931","0.004","77.105","0.004","62.489","0.004","4107.1","1.1","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","","","- C69.75 H50.75 Cd3 N3.25 O14.25 -","- C69.75 H50.75 Cd3 N3.25 O14.25 -","- C139.5 H101.5 Cd6 N6.5 O28.5 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.197","0.0899","","","0.2295","0.2749","","","","","","1.053","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126490","12.3881","0.0002","12.3881","0.0002","12.3881","0.0002","90","","90","","90","","1901.14","0.05","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C6 H36 Cl6 Cu12 N6 S6 -","- C6 Cl6 Cu12 N6 S6 -","- C12 Cl12 Cu24 N12 S12 -","2","0.0416667","","Hu, Lanxia; Zheng, Aiping; Kang, Yao; Wen, Tian; Zhang, Jian","A supersalt-type copper(i)-thiolate cluster with applications for mechano/thermochromism and the oxygen evolution reaction.","Chemical communications (Cambridge, England)","2020","56","28","3967","3970","10.1039/d0cc00619j","","","0.71073","MoKα","","0.0759","0.0738","","","0.2678","0.2711","","","","","","1.088","","","","has coordinates","251491","2020-10-21","18:00:00",""
"7126491","22.05","0.004","10.76","0.002","9.34","0.002","90","0.03","101.29","0.03","90","0.03","2173.1","0.8","77","","77","","","","","","","","","4","C 1 c 1","C -2yc","9","dPyr PDI","dipyrrolodine perylene diimide","","- C128 H96 N16 O16 -","- C128 H96 N16 O16 -","- C128 H96 N16 O16 -","1","0.25","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","1","electron","","0.2355","0.1991","","","0.4813","0.5085","","","","","","1.423","","","","has coordinates","251492","2020-10-21","18:00:00",""
"7126492","8.09","0.002","6.39","0.002","11.63","0.002","90","0.03","104.71","0.03","90","0.03","581.5","0.3","77","","77","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dCN NDI","dicyano naphthalene diimide","","- C32 H8 N8 O8 S0 -","- C32 H8 N8 O8 -","- C32 H8 N8 O8 -","1","0.25","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","1","electron","","0.169","0.1376","","","0.3719","0.3919","","","","","","1.141","","","","has coordinates","251492","2020-10-21","18:00:00",""
"7126493","15.09","0.003","19.55","0.004","34.77","0.007","90","0.03","94.63","0.03","90","0.03","10224","4","77","","77","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dDPP","diketopyrrolopyrrole","","- C432 H560 N64 O60 S16 -","- C432 H560 N64 O60 S16 -","- C432 H560 N64 O60 S16 -","1","0.25","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","1","electron","","0.2908","0.235","","","0.5323","0.5555","","","","","","1.813","","","","has coordinates","251492","2020-10-21","18:00:00",""
"7126494","9.3575","0.0006","10.2713","0.0006","11.5278","0.0007","94.471","0.005","104.322","0.006","108.484","0.006","1003.31","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24.04 F3 O6 S -","- C19 H23.268 F3 O6 S -","- C38 H46.536 F6 O12 S2 -","2","1","","Cheng, Ruixiang; Xiong, Wenfang; Qi, Chaorong; Wang, Lu; Ren, Yanwei; Jiang, Huanfeng","Macrocyclization of 3-triflyloxybenzynes with tetrahydrofuran via an anionic thia-Fries rearrangement.","Chemical communications (Cambridge, England)","2020","56","48","6495","6498","10.1039/d0cc00135j","","x-ray","0.71073","MoKα","","0.1417","0.0668","","","0.3224","0.338","","","","","","1.074","","","","has coordinates,has disorder","253814","2020-10-21","18:00:00",""
"7126495","12.0715","0.0009","5.7257","0.0004","12.5111","0.001","90","","101.199","0.004","90","","848.27","0.11","170","2","169.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 F3 N3 O4 S -","- C4 H2 F3 N3 O4 S -","- C16 H8 F12 N12 O16 S4 -","4","1","","Zhang, Wei; Lin, Jin-Hong; Zhang, Pengfei; Xiao, Ji-Chang","A convenient reagent for the conversion of aldoximes into nitriles and isonitriles.","Chemical communications (Cambridge, England)","2020","56","46","6221","6224","10.1039/d0cc00188k","","","1.34139","GaKα","","0.0603","0.0589","","","0.1458","0.1481","","","","","","1.131","","","","has coordinates","253792","2020-10-21","18:00:00",""
"7126496","12.504","0.003","12.83","0.003","13.185","0.003","90","","90","","90","","2115.2","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 Fe N4 O4 -","- C14 H30 Cl4 Fe N4 O4 -","- C56 H120 Cl16 Fe4 N16 O16 -","4","1","","Hay, Moya A.; Sarkar, Arup; Craig, Gavin A.; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","A large axial magnetic anisotropy in trigonal bipyramidal Fe(ii).","Chemical communications (Cambridge, England)","2020","56","50","6826","6829","10.1039/d0cc02382e","","","0.71073","MoKα","","0.0895","0.0448","","","0.084","0.0996","","","","","","1.028","","","","has coordinates","253803","2020-10-21","18:00:00",""
"7126497","13.7033","0.0014","14.2585","0.0014","15.6635","0.0016","104.701","0.005","100.957","0.005","99.729","0.005","2829.3","0.5","190","2","190.15","","","","","","","","","4","P -1","-P 1","2","","Isocoumarin-DPN","","- C63 H47 N5 O22 -","- C63 H47 N5 O22 -","- C126 H94 N10 O44 -","2","1","","Yelgaonkar, Shweta P.; Kiani, Daniyal; Baltrusaitis, Jonas; MacGillivray, Leonard R.","Superstructural diversity in salt-cocrystals: higher-order hydrogen-bonded assemblies formed using U-shaped dications and with assistance of π<sup>-</sup>-π stacking.","Chemical communications (Cambridge, England)","2020","56","49","6708","6710","10.1039/d0cc02671a","","","0.71073","MoKα","","0.0779","0.0513","","","0.1357","0.1537","","","","","","1.021","","","","has coordinates","253818","2020-10-21","18:00:00",""
"7126498","8.8579","0.0009","15.7231","0.0016","20.017","0.002","110.471","0.005","93.635","0.005","106.238","0.005","2467","0.5","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","Isocoumarin-3-acid-DAPN","","- C64 H38 N2 O16 -","- C64 H38 N2 O16 -","- C128 H76 N4 O32 -","2","1","","Yelgaonkar, Shweta P.; Kiani, Daniyal; Baltrusaitis, Jonas; MacGillivray, Leonard R.","Superstructural diversity in salt-cocrystals: higher-order hydrogen-bonded assemblies formed using U-shaped dications and with assistance of π<sup>-</sup>-π stacking.","Chemical communications (Cambridge, England)","2020","56","49","6708","6710","10.1039/d0cc02671a","","","0.71073","MoKα","","0.1144","0.0524","","","0.1112","0.1325","","","","","","1.02","","","","has coordinates","253818","2020-10-21","18:00:00",""
"7126499","8.4167","0.0005","28.6453","0.0015","20.8697","0.0012","90","","100.155","0.005","90","","4952.8","0.5","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Isocoumarin-3-aqcid.DEPN","","- C64 H42 N2 O16 -","- C64 H42 N2 O16 -","- C256 H168 N8 O64 -","4","1","","Yelgaonkar, Shweta P.; Kiani, Daniyal; Baltrusaitis, Jonas; MacGillivray, Leonard R.","Superstructural diversity in salt-cocrystals: higher-order hydrogen-bonded assemblies formed using U-shaped dications and with assistance of π<sup>-</sup>-π stacking.","Chemical communications (Cambridge, England)","2020","56","49","6708","6710","10.1039/d0cc02671a","","","1.54178","CuKα","","0.079","0.0589","","","0.1595","0.1752","","","","","","1.04","","","","has coordinates","253818","2020-10-21","18:00:00",""
"7126500","13.7895","0.0017","20.62","0.002","3.8818","0.0007","90","","90","","90","","1103.7","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9.6 H7.2 F0.8 N1.6 O2.4 -","- C9.6 H7.2 F0.8 N1.6 O2.4 -","- C48 H36 F4 N8 O12 -","5","1.25","","Sasmal, Sheuli; Sinha, Soumya Kumar; Lahiri, Goutam Kumar; Maiti, Debabrata","A directing group-assisted ruthenium-catalyzed approach to access meta-nitrated phenols.","Chemical communications (Cambridge, England)","2020","56","52","7100","7103","10.1039/d0cc02851g","","x-ray","0.71073","MoKα","","0.1315","0.071","","","0.1277","0.1654","","","","","","1.069","","","","has coordinates","253786","2020-10-21","18:00:00",""
"7126501","8.531","0.0004","11.1285","0.0005","12.0481","0.0006","90","","110.333","0.005","90","","1072.54","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H4.44 N0.89 O1.78 -","- C5.33333 H4.44444 N0.888889 O1.77778 -","- C48 H40 N8 O16 -","9","2.25","","Sasmal, Sheuli; Sinha, Soumya Kumar; Lahiri, Goutam Kumar; Maiti, Debabrata","A directing group-assisted ruthenium-catalyzed approach to access meta-nitrated phenols.","Chemical communications (Cambridge, England)","2020","56","52","7100","7103","10.1039/d0cc02851g","","x-ray","0.71073","MoKα","","0.0455","0.0414","","","0.1097","0.1143","","","","","","1.065","","","","has coordinates","253786","2020-10-21","18:00:00",""
"7126502","30.4822","0.0015","30.4822","0.0015","30.4822","0.0015","90","","90","","90","","28323","2","120","","120","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H48 N12 O38 Th6 -","- C42 H24 N6 O26 Th6 -","- C168 H96 N24 O104 Th24 -","4","0.0208333","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.1527","0.0855","","","0.2293","0.3077","","","","","","1.109","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126503","25.052","0.0007","25.052","0.0007","25.052","0.0007","90","","90","","90","","15722.7","0.8","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C60 H36 O38 Th6 -","- C30 H18 O26 Th6 -","- C120 H72 O104 Th24 -","4","0.0208333","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0812","0.0651","","","0.1827","0.2054","","","","","","1.051","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126504","27.9387","0.0004","27.9387","0.0004","27.9387","0.0004","90","","90","","90","","21808.1","0.5","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C42 H24 O19 Th3 -","- C42 H24 O19 Th3 -","- C336 H192 O152 Th24 -","8","0.0416667","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0419","0.0274","","","0.06","0.0661","","","","","","1.057","","","","has coordinates","253816","2020-10-21","18:00:00",""
"7126505","21.9026","0.0004","21.9026","0.0004","21.9026","0.0004","90","","90","","90","","10507.2","0.3","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O19 Th3 -","- C24 H12 O19 Th3 -","- C192 H96 O152 Th24 -","8","0.0416667","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0338","0.0234","","","0.0482","0.0514","","","","","","1.066","","","","has coordinates","253816","2020-10-21","18:00:00",""
"7126506","28.2063","0.0013","28.2063","0.0013","28.2063","0.0013","90","","90","","90","","22440.8","1.8","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C144 H96 O76 Th12 -","- C66 H48 O52 Th12 -","- C132 H96 O104 Th24 -","2","0.0104167","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0826","0.0765","","","0.2128","0.2203","","","","","","1.14","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126507","30.976","0.004","30.976","0.004","30.976","0.004","90","","90","","90","","29722","7","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C399.36 H249.6 O155.84 Th24 -","- C199.68 H118.56 O105.92 Th24 -","- C199.68 H118.56 O105.92 Th24 -","1","0.00520833","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0864","0.0573","","","0.1568","0.2038","","","","","","1.234","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126508","19.0604","0.0013","19.0604","0.0013","19.0604","0.0013","90","","90","","90","","6924.6","0.8","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C48 H24 O94 Th12 -","- C24 H12 O70 Th12 -","- C48 H24 O140 Th24 -","2","0.0104167","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.1043","0.084","","","0.2041","0.2303","","","","","","1.097","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126509","16.2731","0.0005","16.2731","0.0005","66.968","0.003","90","","90","","120","","15358.1","1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C26 H32 La1.11 N4.67 O14.17 -","- C26 H19 La1.1111 N4.6666 O12.3331 -","- C468 H342 La19.9998 N83.9988 O221.996 -","18","1","","Wang, Shanshan; Li, Shuning; Xiong, Junyu; Lin, Zhengguo; Wei, Wei; Xu, Yanqing","Near-infrared photothermal conversion of stable radicals photoinduced from a viologen-based coordination polymer.","Chemical communications (Cambridge, England)","2020","56","54","7399","7402","10.1039/d0cc02193h","","","0.71073","MoKα","","0.0499","0.046","","","0.1265","0.1287","","","","","","1.041","","","","has coordinates,has disorder","254916","2020-10-21","18:00:00",""
"7126510","5.6933","0.0004","12.7845","0.001","15.7666","0.0013","90","","99.16","0.007","90","","1132.95","0.15","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl F3 N4 -","- C25 H22 Cl F3 N4 -","- C50 H44 Cl2 F6 N8 -","2","1","","Stewart, Hannah L.; Hanby, Abigail R.; King, Thomas A.; Bond, Andrew D.; Moss, Thomas A.; Sore, Hannah F.; Spring, David R.","An efficient, stereocontrolled and versatile synthetic route to bicyclic partially saturated privileged scaffolds.","Chemical communications (Cambridge, England)","2020","56","50","6818","6821","10.1039/d0cc02728f","","","1.54178","CuKα","","0.1503","0.0854","","","0.1705","0.2028","","","","","","1.039","","","","has coordinates,has disorder","253801","2020-10-21","18:00:00",""
"7126511","8.366","0.003","8.971","0.003","9.981","0.004","70.613","0.013","73.295","0.015","74.157","0.014","663.6","0.4","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 As2 N4 O2 -","- C32 H22 As2 N4 O2 -","- C32 H22 As2 N4 O2 -","1","0.5","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0373","0.0311","","","0.0779","0.082","","","","","","1.063","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126512","13.597","0.004","11.204","0.003","8.645","0.002","90","","103.655","0.014","90","","1279.8","0.6","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N2 P -","- C16 H11 N2 P -","- C64 H44 N8 P4 -","4","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.1272","0.0666","","","0.1523","0.1913","","","","","","1.054","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126513","13.672","0.009","11.334","0.008","8.756","0.006","90","","104.051","0.009","90","","1316.2","1.6","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 As N2 -","- C16 H11 As N2 -","- C64 H44 As4 N8 -","4","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0547","0.0366","","","0.0769","0.0841","","","","","","1.07","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126514","7.692","0.004","9.588","0.006","10.081","0.007","88.33","0.02","72.47","0.02","67.903","0.014","653.9","0.7","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N2 O P -","- C16 H11 N2 O P -","- C32 H22 N4 O2 P2 -","2","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0523","0.0411","","","0.1027","0.1105","","","","","","1.035","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126515","16.402","0.005","47.39","0.013","9.844","0.003","90","","90","","90","","7652","4","273","","273","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C17 H13 As Au Cl3 N2 -","- C17 H13 As Au Cl3 N2 -","- C272 H208 As16 Au16 Cl48 N32 -","16","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0416","0.0384","","","0.0958","0.0984","","","","","","1.02","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126516","15.32218","0.00012","19.01622","0.00016","25.9169","0.0002","100.068","0.0007","101.739","0.0007","105.504","0.0007","6911","0.11","153","2","153","","","","","","","","","7","P -1","-P 1","2","","","","- C99 H186 Cu2 Ge18 K4 N11 O27 -","- C99 H186 Cu2 Ge18 K4 N11 O26.91 -","- C198 H372 Cu4 Ge36 K8 N22 O53.82 -","2","1","","Wang, Zi-Chuan; Tkachenko, Nikolay V.; Qiao, Lei; Matito, Eduard; Muñoz-Castro, Alvaro; Boldyrev, Alexander I.; Sun, Zhong-Ming","All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe<sub>9</sub>Mes]<sub>2</sub>}<sup>4</sup>.","Chemical communications (Cambridge, England)","2020","56","48","6583","6586","10.1039/d0cc02525a","","","1.54184","CuKα","","0.047","0.0405","","","0.1034","0.1065","","","","","","1.027","","","","has coordinates,has disorder","253815","2020-10-21","18:00:00",""
"7126517","24.7397","0.0016","11.8214","0.0008","17.2848","0.0009","90","","105.783","0.002","90","","4864.5","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Cl2 N6 O Sn2 -","- C56 H44 Cl2 N6 O Sn2 -","- C224 H176 Cl8 N24 O4 Sn8 -","4","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0324","0.0231","","","0.0467","0.051","","","","","","1.068","","","","has coordinates","253798","2020-10-21","18:00:00",""
"7126518","39.999","0.003","13.8693","0.0009","18.718","0.002","90","","113.174","0.003","90","","9546.1","1.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N6 Sn -","- C52 H36 N6 Sn -","- C416 H288 N48 Sn8 -","8","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0767","0.0457","","","0.1074","0.1217","","","","","","0.926","","","","has coordinates,has disorder","253798","2020-10-21","18:00:00",""
"7126519","14.4606","0.0016","15.1842","0.0016","19.5168","0.0018","94.697","0.002","98.687","0.003","92.921","0.003","4213.2","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 Cl N9 Sn3 -","- C78 H54 Cl N9 Sn3 -","- C156 H108 Cl2 N18 Sn6 -","2","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0928","0.0492","","","0.1177","0.1382","","","","","","0.881","","","","has coordinates","253798","2020-10-21","18:00:00",""
"7126520","22.9751","0.0007","20.5456","0.0007","17.8253","0.0006","90","","109.175","0.001","90","","7947.4","0.5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H70 F3 N9 O5 S Sn3 -","- C87 H70 F3 N9 O5 S Sn3 -","- C348 H280 F12 N36 O20 S4 Sn12 -","4","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0454","0.0353","","","0.0783","0.0827","","","","","","1.031","","","","has coordinates,has disorder","253798","2020-10-21","18:00:00",""
"7126521","11.0407","0.0011","13.7762","0.0012","20.4412","0.0019","95.079","0.002","98.842","0.003","111.909","0.003","2813.9","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H36 N6 O10 Sn2 W2 -","- C62 H36 N6 O10 Sn2 W2 -","- C124 H72 N12 O20 Sn4 W4 -","2","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.1046","0.0662","","","0.1539","0.176","","","","","","0.908","","","","has coordinates","253798","2020-10-21","18:00:00",""
"7126522","22.9606","0.0018","20.1323","0.0015","17.3947","0.0014","90","","109.571","0.002","90","","7576.2","1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H64 F6 N9 O P Sn3 -","- C82 H64 F6 N9 O P Sn3 -","- C328 H256 F24 N36 O4 P4 Sn12 -","4","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.1123","0.0776","","","0.2013","0.222","","","","","","1.079","","","","has coordinates","253798","2020-10-21","18:00:00",""
"7126523","12.9156","0.0007","19.1434","0.0011","19.379","0.0012","90","","90","","90","","4791.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H70 B Br Li N2 O6 -","- C48 H70 B Br Li N2 O6 -","- C192 H280 B4 Br4 Li4 N8 O24 -","4","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.0399","0.0309","","","0.0887","0.099","","","","","","0.746","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126524","17.282","0.002","30.185","0.004","18.933","0.002","90","","111.157","0.003","90","","9210.8","1.9","99.92","","99.92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H100 B2 N8 -","- C86 H100 B2 N8 -","- C344 H400 B8 N32 -","4","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.1351","0.0731","","","0.1981","0.2251","","","","","","1.045","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126525","11.7554","0.0014","13.4782","0.0016","16.2117","0.0019","80.556","0.004","77.491","0.004","79.442","0.004","2444.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 B Br Cl6 N4 -","- C46 H56 B Br Cl6 N4 -","- C92 H112 B2 Br2 Cl12 N8 -","2","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.0928","0.057","","","0.1513","0.1671","","","","","","1.059","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126526","16.5767","0.0016","22.881","0.002","24.197","0.002","78.233","0.003","71.81","0.003","85.539","0.003","8534.9","1.3","100.03","","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C94 H108 B2 N8 -","- C94 H108 B2 N8 -","- C376 H432 B8 N32 -","4","2","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.0974","0.0564","","","0.1399","0.1599","","","","","","1.049","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126527","18.7601","0.0016","13.8832","0.0011","22.628","0.002","90","","112.512","0.002","90","","5444.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H62 B Br Cl8 N4 -","- C51 H62 B Br Cl8 N4 -","- C204 H248 B4 Br4 Cl32 N16 -","4","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.088","0.0567","","","0.1638","0.1789","","","","","","1.145","","","","has coordinates,has disorder","253799","2020-10-21","18:00:00",""
"7126528","17.4782","0.0004","12.6007","0.0002","17.9057","0.0003","90","","98.164","0.002","90","","3903.54","0.13","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl8 N4 Ni -","- C40 H32 Cl8 N4 Ni -","- C160 H128 Cl32 N16 Ni4 -","4","1","","Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi","A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.","Chemical communications (Cambridge, England)","2020","56","50","6846","6849","10.1039/d0cc02543g","","","0.71075","MoKα","","0.0661","0.0536","","","0.1479","0.1588","","","","","","1.005","","","","has coordinates,has disorder","253804","2020-10-21","18:00:00",""
"7126529","12.0197","0.0003","15.476","0.0007","18.5471","0.0007","72.164","0.004","77.709","0.003","86.387","0.003","3209","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cl4 N8 Ni2 -","- C76 H66 Cl4 N8 Ni2 -","- C152 H132 Cl8 N16 Ni4 -","2","1","","Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi","A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.","Chemical communications (Cambridge, England)","2020","56","50","6846","6849","10.1039/d0cc02543g","","","0.71073","MoKα","","0.1075","0.0638","","","0.1392","0.1612","","","","","","1.029","","","","has coordinates,has disorder","253804","2020-10-21","18:00:00",""
"7126530","35.3376","0.0006","11.9482","0.0002","17.8205","0.0003","90","","102.422","0.002","90","","7348","0.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 Cl6 N4 Ni -","- C38 H31 Cl6 N4 Ni -","- C304 H248 Cl48 N32 Ni8 -","8","1","","Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi","A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.","Chemical communications (Cambridge, England)","2020","56","50","6846","6849","10.1039/d0cc02543g","","","0.71075","MoKα","","0.1156","0.0901","","","0.2524","0.2828","","","","","","1.018","","","","has coordinates,has disorder","253804","2020-10-21","18:00:00",""
"7126531","14.9496","0.0003","9.5237","0.0002","17.43","0.0004","90","","111.831","0.001","90","","2303.64","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C124 H92 N4 O12 -","4","1","","Gao, Yu-Qi; Hou, Yi; Zhu, Liming; Chen, Junhan; Li, Ruoxin; Zhang, Sheng-Yong; He, Yu-Peng; Xie, Weiqing","Visible-light driven synthesis of polycyclic benzo[d][1,3]oxazocine from 2-aminochalcone.","Chemical communications (Cambridge, England)","2020","56","49","6739","6742","10.1039/d0cc02416c","","","1.54178","CuKα","","0.0848","0.049","","","0.1288","0.159","","","","","","1.068","","","","has coordinates","253821","2020-10-21","18:00:00",""
"7126532","10.1842","0.0006","20.0153","0.0011","10.5231","0.0006","90","","95.242","0.004","90","","2136.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Gao, Yu-Qi; Hou, Yi; Zhu, Liming; Chen, Junhan; Li, Ruoxin; Zhang, Sheng-Yong; He, Yu-Peng; Xie, Weiqing","Visible-light driven synthesis of polycyclic benzo[d][1,3]oxazocine from 2-aminochalcone.","Chemical communications (Cambridge, England)","2020","56","49","6739","6742","10.1039/d0cc02416c","","","1.54178","CuKα","","0.2382","0.088","","","0.2222","0.3359","","","","","","0.948","","","","has coordinates","253821","2020-10-21","18:00:00",""
"7126533","17.8827","0.0011","7.8947","0.0005","15.7916","0.001","90","","96.353","0.007","90","","2215.7","0.2","106","","106","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 B2 N2 O4 -","- C58 H42 B2 N2 O4 -","- C116 H84 B4 N4 O8 -","2","0.5","","Ohtani, Shunsuke; Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of fully-fused bisboron azomethine complexes and their conjugated polymers with solid-state near-infrared emission.","Chemical communications (Cambridge, England)","2020","56","48","6575","6578","10.1039/d0cc02301a","","","0.71075","MoKα","","0.1561","0.0978","","","0.1732","0.1953","","","","","","1.144","","","","has coordinates","253811","2020-10-21","18:00:00",""
"7126534","5.1905","0.0005","9.3677","0.0007","23.713","0.003","90","","94.729","0.012","90","","1149.1","0.2","293","2","293.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 N2 O5 -","- C27 H28 N2 O5 -","- C54 H56 N4 O10 -","2","0.5","","He, Hui-Zi; Li, Kun; Yu, Kang-Kang; Lu, Pei-Long; Feng, Mei-Lin; Chen, Shan-Yong; Yu, Xiao-Qi","Additive- and column-free synthesis of rigid bis-coumarins as fluorescent dyes for G-quadruplex sensing via disaggregation-induced emission.","Chemical communications (Cambridge, England)","2020","56","50","6870","6873","10.1039/d0cc01437k","","x-ray","0.71073","MoKα","","0.1006","0.063","","","0.152","0.1644","","","","","","1.049","","","","has coordinates","253800","2020-10-21","18:00:00",""
"7126535","6.4331","0.0012","15.335","0.003","19.485","0.004","90","","90","","90","","1922.2","0.7","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","prism","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Mando, Morgane; Grellepois, Fabienne; Riguet, Emmanuel","Organocatalytic enantioselective allylic alkylation of α-aryl γ-lactones: an approach to densely functionalized quaternary stereocentres.","Chemical communications (Cambridge, England)","2020","56","49","6640","6643","10.1039/d0cc02058c","","","1.54178","CuKα","","0.0275","0.0263","","","0.0629","0.0637","","","","","","1.074","","","","has coordinates,has disorder","253817","2020-10-21","18:00:00",""
"7126536","7.5891","0.0003","10.7774","0.0005","17.9836","0.0006","90","","90","","90","","1470.89","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Ganesan, Balaji; Govindan, Karthick; Senadi, Gopal Chandru; Kandasamy, Mohanraj; Lin, Wei-Yu","Copper-catalyzed synthesis of aminoquinolines from β-(2-aminophenyl)-α,β-ynones using DMF as dual synthon.","Chemical communications (Cambridge, England)","2020","56","48","6488","6491","10.1039/d0cc03033c","","","0.71073","MoKα","","0.051","0.042","","","0.0986","0.1048","","","","","","1.068","","","","has coordinates","253813","2020-10-21","18:00:00",""
"7126537","18.8752","0.001","7.25","0.0004","13.1539","0.0007","90","","96.9162","0.0015","90","","1786.95","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B10 N -","- C14 H21 B10 N -","- C56 H84 B40 N4 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0826","0.0577","","","0.1432","0.1597","","","","","","1.043","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126538","19.063","0.003","6.8433","0.0009","13.5027","0.0018","90","","92.491","0.009","90","","1759.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 B10 N2 -","- C12 H20 B10 N2 -","- C48 H80 B40 N8 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.1191","0.0653","","","0.1917","0.2419","","","","","","1.024","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126539","11.1641","0.0003","11.5247","0.0003","12.2762","0.0005","85.6539","0.0017","71.2257","0.0014","82.6628","0.0011","1482.2","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H34 B20 N2 -","- C18 H34 B20 N2 -","- C36 H68 B40 N4 -","2","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.1097","0.0748","","","0.2206","0.2502","","","","","","1.044","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126540","12.1083","0.0004","15.2069","0.0005","13.3711","0.0005","90","","92.9866","0.0017","90","","2458.67","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 B20 N -","- C13 H29 B20 N -","- C52 H116 B80 N4 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0701","0.0602","","","0.1767","0.1884","","","","","","1.032","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126541","11.3782","0.0012","11.4876","0.0011","13.5646","0.0015","90","","90","","90","","1773","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 B10 N2 -","- C13 H20 B10 N2 -","- C52 H80 B40 N8 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.1113","0.0826","","","0.2131","0.2336","","","","","","1.037","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126542","10.6954","0.0006","10.2783","0.0006","18.0417","0.0009","90","","90","","90","","1983.33","0.19","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H23.25 B10 N -","- C17 H20 B10 N -","- C68 H80 B40 N4 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0941","0.0797","","","0.2376","0.2543","","","","","","1.096","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126543","11.8847","0.0019","12.265","0.0017","12.2774","0.0016","90.795","0.004","114.061","0.004","106.385","0.004","1550.7","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H35 B10 F3 Ir N O2 -","- C26 H35 B10 F3 Ir N O2 -","- C52 H70 B20 F6 Ir2 N2 O4 -","2","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0513","0.0505","","","0.146","0.1465","","","","","","1.315","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126544","12.1566","0.0014","9.5772","0.0011","28.031","0.003","90","","92.526","0.003","90","","3260.4","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0629","0.046","","","0.1023","0.1086","","","","","","1.038","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126545","12.2294","0.0016","9.613","0.0012","28.292","0.004","90","","93.195","0.003","90","","3320.9","0.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0833","0.0516","","","0.1167","0.1311","","","","","","1.012","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126546","12.2344","0.0017","9.4516","0.0014","27.594","0.004","90","","91.677","0.003","90","","3189.5","0.8","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0446","0.0356","","","0.0831","0.0861","","","","","","1.042","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126547","12.257","0.0016","9.6358","0.0013","28.442","0.004","90","","93.474","0.003","90","","3353","0.8","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.1004","0.0561","","","0.138","0.1569","","","","","","1.032","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126548","12.2","0.0017","9.5964","0.0012","28.151","0.004","90","","92.89","0.004","90","","3291.6","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0708","0.0475","","","0.1139","0.1223","","","","","","1.038","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126549","12.2742","0.0019","9.4757","0.0014","27.688","0.004","90","","92.029","0.004","90","","3218.3","0.8","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0522","0.0382","","","0.0883","0.0951","","","","","","1.025","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126550","12.339","0.003","9.5268","0.0019","27.927","0.006","90","","92.563","0.005","90","","3279.6","1.2","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0884","0.0602","","","0.1408","0.1569","","","","","","1.041","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126551","12.362","0.003","9.5472","0.0018","28.028","0.005","90","","92.689","0.005","90","","3304.3","1.2","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0964","0.0614","","","0.1442","0.1634","","","","","","1.026","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126552","12.2729","0.0019","9.6494","0.0015","28.534","0.005","90","","93.614","0.004","90","","3372.5","0.9","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.105","0.0605","","","0.1516","0.1705","","","","","","1.032","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126553","12.3126","0.0017","9.505","0.0012","27.815","0.004","90","","92.26","0.003","90","","3252.7","0.8","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H44.674 Br O2 S2 Si2 -","- C112 H178.696 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0642","0.0447","","","0.1111","0.1184","","","","","","1.024","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126554","20.709","0.001","10.9734","0.0005","25.4961","0.0011","90","","95.441","0.001","90","","5767.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 Br N2 O3 Re -","- C65 H74 Br N2 O3 Re -","- C260 H296 Br4 N8 O12 Re4 -","4","1","","Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich","A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.","Chemical communications (Cambridge, England)","2020","56","51","7009","7012","10.1039/d0cc03043k","","","0.71073","MoKα","","0.0496","0.0324","","","0.0699","0.0762","","","","","","1.011","","","","has coordinates,has disorder","253774","2020-10-21","18:00:00",""
"7126555","10.5021","0.0005","12.1274","0.0006","25.1217","0.0013","84.635","0.001","87.156","0.002","66.182","0.001","2914","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H74 K N2 O3 Re -","- C65 H74 K N2 O3 Re -","- C130 H148 K2 N4 O6 Re2 -","2","1","","Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich","A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.","Chemical communications (Cambridge, England)","2020","56","51","7009","7012","10.1039/d0cc03043k","","","0.71073","MoKα","","0.0268","0.0237","","","0.0541","0.0552","","","","","","1.062","","","","has coordinates","253774","2020-10-21","18:00:00",""
"7126556","24.0967","0.0019","24.0107","0.0019","21.223","0.003","90","","108.41","0.005","90","","11651","2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H74 Br N2 O3 Re -","- C65 H74 Br N2 O3 Re -","- C520 H592 Br8 N16 O24 Re8 -","8","1","","Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich","A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.","Chemical communications (Cambridge, England)","2020","56","51","7009","7012","10.1039/d0cc03043k","","","0.71073","MoKα","","0.0385","0.0268","","","0.052","0.0566","","","","","","1.148","","","","has coordinates,has disorder","288265","2023-12-12","21:14:51",""
"7126557","5.9613","0.0003","7.6228","0.0003","10.163","0.0004","90","","105.627","0.004","90","","444.75","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C12 H26 F2 I2 N2 -","2","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0187","0.0185","","","0.0476","0.0477","","","","","","1.004","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126558","7.2325","0.0002","11.9157","0.0003","10.4951","0.0003","90","","94.932","0.002","90","","901.12","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.021","0.0199","","","0.0504","0.051","","","","","","1.003","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126559","7.2723","0.0001","10.4559","0.0002","11.9429","0.0003","90","","97.868","0.002","90","","899.57","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C24 H52 F4 I4 N4 -","4","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0177","0.017","","","0.0453","0.0458","","","","","","1.002","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126560","5.9585","0.0002","7.6205","0.0003","10.1558","0.0004","90","","105.571","0.004","90","","444.22","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C12 H26 F2 I2 N2 -","2","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0186","0.0184","","","0.0473","0.0474","","","","","","1.002","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126561","23.123","0.002","9.7734","0.0009","6.3397","0.0006","90","","91.2914","0.0014","90","","1432.3","0.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H17 N5 O7 S -","- C10 H17 N5 O7 S -","- C40 H68 N20 O28 S4 -","4","1","","Xiao, Songjun; Lee, Wes; Chen, Fu; Zavalij, Peter Y.; Gutierrez, Osvaldo; Davis, Jeffery T.","Oxidation of 8-thioguanosine gives redox-responsive hydrogels and reveals intermediates in a desulfurization pathway.","Chemical communications (Cambridge, England)","2020","56","51","6981","6984","10.1039/d0cc02926b","","","0.71073","MoKα","","0.0452","0.0367","","","0.0587","0.0596","","","","","","1.186","","","","has coordinates","253773","2020-10-21","18:00:00",""
"7126562","22.0586","0.0002","23.0723","0.0002","26.8383","0.0003","105.276","0.0009","92.8279","0.0009","108.247","0.0009","12383.7","0.2","100.1","0.9","100","","","","","","","","","8","P -1","-P 1","2","","","","- C221 H195 Au20 Cl10 F18 O P12 Sb3 -","- C221 H180 Au20 Cl10 F18 O P12 Sb3 -","- C442 H360 Au40 Cl20 F36 O2 P24 Sb6 -","2","1","","Yuan, Shang-Fu; Li, Jiao-Jiao; Guan, Zong-Jie; Lei, Zhen; Wang, Quan-Ming","Ultrastable hydrido gold nanoclusters with the protection of phosphines.","Chemical communications (Cambridge, England)","2020","56","51","7037","7040","10.1039/d0cc02339f","","","1.54184","CuKα","","0.0988","0.0911","","","0.259","0.2733","","","","","","1.053","","","","has coordinates","253775","2020-10-21","18:00:00",""
"7126563","21.5346","0.0004","43.3916","0.0006","27.32","0.0004","90","","90.8269","0.0013","90","","25525.7","0.7","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C456 H418 Au40 F36 O16 P30 S2 -","- C456 H370 Au40 F30 O16 P29 S2 -","- C912 H740 Au80 F60 O32 P58 S4 -","2","0.5","","Yuan, Shang-Fu; Li, Jiao-Jiao; Guan, Zong-Jie; Lei, Zhen; Wang, Quan-Ming","Ultrastable hydrido gold nanoclusters with the protection of phosphines.","Chemical communications (Cambridge, England)","2020","56","51","7037","7040","10.1039/d0cc02339f","","x-ray","1.54184","CuKα","","0.0612","0.047","","","0.1165","0.124","","","","","","1.047","","","","has coordinates","253775","2020-10-21","18:00:00",""
"7126564","5.7628","0.0007","7.2333","0.0007","9.7316","0.0011","90","","90","","90","","405.65","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- O4 Pb Si Sr -","- O4 Pb Si Sr -","- O16 Pb4 Si4 Sr4 -","4","1","","Jiang, Shutong; Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","PbSrSiO<sub>4</sub>: a new ultraviolet nonlinear optical material with a strong second harmonic generation response and moderate birefringence.","Chemical communications (Cambridge, England)","2020","56","52","7104","7107","10.1039/d0cc02123g","","","0.71073","MoKα","","0.0408","0.0384","","","0.0867","0.0917","","","","","","1.085","","","","has coordinates","253784","2020-10-21","18:00:00",""
"7126565","11.3631","0.0006","20.5225","0.0009","11.963","0.0005","90","","117.897","0.002","90","","2465.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N3 O -","- C28 H28 Br N3 O -","- C112 H112 Br4 N12 O4 -","4","2","","Gao, Zeng; Qian, Jinlong; Yang, Huameng; Hang, Xiao-Chun; Zhang, Jinlong; Jiang, Gaoxi","Chiral Brønsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides.","Chemical communications (Cambridge, England)","2020","56","53","7265","7268","10.1039/d0cc02380a","","","0.71073","MoKα","","0.1313","0.0618","","","0.1408","0.1632","","","","","","1.015","","","","has coordinates","253777","2020-10-21","18:00:00",""
"7126566","12.0096","0.0013","13.3196","0.0014","16.1216","0.0017","90","","109.131","0.002","90","","2436.4","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","2","","Gao, Zeng; Qian, Jinlong; Yang, Huameng; Hang, Xiao-Chun; Zhang, Jinlong; Jiang, Gaoxi","Chiral Brønsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides.","Chemical communications (Cambridge, England)","2020","56","53","7265","7268","10.1039/d0cc02380a","","","0.71073","MoKα","","0.0626","0.0427","","","0.0946","0.1065","","","","","","0.999","","","","has coordinates","253777","2020-10-21","18:00:00",""
"7126567","9.2055","0.0002","17.4289","0.0003","10.2408","0.0002","90","","92.039","0.002","90","","1642.01","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Li, Yongfeng; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Gold-catalyzed intermolecular [4+1] spiroannulation via site-selective aromatic C(sp<sup>2</sup>)-H functionalization and dearomatization of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","59","8202","8205","10.1039/d0cc01118e","","x-ray","1.54184","CuKα","","0.0455","0.0402","","","0.1104","0.1142","","","","","","1.068","","","","has coordinates","254907","2020-10-21","18:00:00",""
"7126568","8.1264","0.0001","13.3342","0.0003","14.6256","0.0002","90","","93.275","0.002","90","","1582.23","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Li, Yongfeng; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Gold-catalyzed intermolecular [4+1] spiroannulation via site-selective aromatic C(sp<sup>2</sup>)-H functionalization and dearomatization of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","59","8202","8205","10.1039/d0cc01118e","","x-ray","1.54184","CuKα","","0.0483","0.0427","","","0.1061","0.11","","","","","","1.015","","","","has coordinates","254907","2020-10-21","18:00:00",""
"7126569","10.5466","0.0002","10.572","0.0002","14.2364","0.0002","88.049","0.001","84.217","0.001","86.299","0.001","1575.36","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H32 O6 -","- C42 H32 O6 -","- C84 H64 O12 -","2","1","","Li, Yongfeng; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Gold-catalyzed intermolecular [4+1] spiroannulation via site-selective aromatic C(sp<sup>2</sup>)-H functionalization and dearomatization of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","59","8202","8205","10.1039/d0cc01118e","","x-ray","1.54184","CuKα","","0.0418","0.0403","","","0.1006","0.1018","","","","","","1.058","","","","has coordinates","254907","2020-10-21","18:00:00",""
"7126570","9.7763","0.0008","10.5375","0.0009","15.1911","0.0013","90.931","0.003","90.634","0.003","93.521","0.003","1561.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 O4 P2 Pt -","- C72 H84 O4 P2 Pt -","- C72 H84 O4 P2 Pt -","1","0.5","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0628","0.0578","","","0.1484","0.1513","","","","","","1.069","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126571","9.068","0.0009","10.8256","0.0011","15.2471","0.0015","94.454","0.004","91.432","0.004","92.084","0.004","1490.7","0.3","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 O4 P2 Pt -","- C66 H88 O4 P2 Pt -","- C66 H88 O4 P2 Pt -","1","0.5","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0205","0.02","","","0.0495","0.05","","","","","","1.128","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126572","14.8762","0.001","14.6209","0.0012","14.9832","0.001","90","","90.35","0.002","90","","3258.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H74 F10 O4 P2 Pt -","- C72 H74 F10 O4 P2 Pt -","- C144 H148 F20 O8 P4 Pt2 -","2","0.5","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0647","0.0533","","","0.1184","0.1227","","","","","","1.247","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126573","17.9125","0.0008","21.095","0.001","21.0976","0.0008","60.1816","0.0013","89.8948","0.0015","76.3364","0.0017","6657.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 F10 O4 P2 Pt -","- C72 H74 F10 O4 P2 Pt -","- C288 H296 F40 O16 P8 Pt4 -","4","2","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0782","0.0547","","","0.1112","0.1314","","","","","","1.091","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126574","10.3014","0.0004","11.5202","0.0005","12.2962","0.0006","96.803","0.004","97.658","0.004","98.459","0.004","1416.24","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H5 F3.33 N0.33 O0.67 -","- C12 H5 F3.33333 N0.333333 O0.666667 -","- C72 H30 F20 N2 O4 -","6","3","","Casali, Emanuele; Kalra, Prakriti; Brochetta, Massimo; Borsari, Tania; Gandini, Andrea; Patra, Tuhin; Zanoni, Giuseppe; Maiti, Debabrata","Overriding ortho selectivity by template assisted meta-C-H activation of benzophenones.","Chemical communications (Cambridge, England)","2020","56","53","7281","7284","10.1039/d0cc03172k","","x-ray","0.71073","MoKα","","0.0836","0.0536","","","0.1175","0.1462","","","","","","1.05","","","","has coordinates","253779","2020-10-21","18:00:00",""
"7126575","7.3132","0.0005","15.406","0.001","10.7773","0.0006","90","","90","","90","","1214.25","0.13","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H13 N2 S Se -","- C11 H14 N2 S Se -","- C44 H56 N8 S4 Se4 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0691","0.0592","","","0.1554","0.1622","","","","","","1.112","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126576","19.541","0.005","7.511","0.0018","20.264","0.005","90","","113.102","0.007","90","","2735.7","1.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H16 N2 S Se -","- C13 H16 N2 S Se -","- C104 H128 N16 S8 Se8 -","8","2","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.1135","0.071","","","0.1738","0.2022","","","","","","1.066","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126577","34.65","0.004","4.9196","0.0005","12.0074","0.0014","90","","90","","90","","2046.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H24 N4 O2 S2 Se2 -","- C14 H24 N4 O2 S2 Se2 -","- C56 H96 N16 O8 S8 Se8 -","4","0.5","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0773","0.0556","","","0.1362","0.1461","","","","","","1.141","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126578","23.3194","0.0007","14.8183","0.0003","16.3857","0.0004","90","","129.828","0.001","90","","4348.4","0.2","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H50 Hg N8 O11 Se4 -","- C32 H50 Hg N8 O11 Se4 -","- C128 H200 Hg4 N32 O44 Se16 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0316","0.0279","","","0.0622","0.0638","","","","","","1.05","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126579","8.4028","0.0003","18.7925","0.0006","8.9951","0.0003","90","","104.092","0.001","90","","1377.67","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Hg I N2 Se -","- C10 H13 Hg I N2 Se -","- C40 H52 Hg4 I4 N8 Se4 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0356","0.03","","","0.0638","0.0664","","","","","","1.045","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126580","8.9682","0.0005","10.5369","0.0005","11.8452","0.0006","90","","91.293","0.002","90","","1119.05","0.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Hg I N2 Se -","- C6 H11 Hg I N2 Se -","- C24 H44 Hg4 I4 N8 Se4 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0376","0.0353","","","0.0922","0.0946","","","","","","1.084","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126581","10.3331","0.0009","11.4023","0.001","12.0379","0.0009","64.466","0.003","79.758","0.003","68.943","0.003","1193.89","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 S2 Se2 -","- C22 H26 N4 S2 Se2 -","- C44 H52 N8 S4 Se4 -","2","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0485","0.0356","","","0.0868","0.0938","","","","","","1.034","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126582","17.0129","0.001","12.3612","0.0007","27.5884","0.0016","90","","90","","90","","5801.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H22 B N O2 -","- C14 H22 B N O2 -","- C224 H352 B16 N16 O32 -","16","2","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","0.71073","MoKα","","0.0892","0.0567","","","0.1364","0.164","","","","","","1.089","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126583","9.0809","0.0005","11.786","0.0006","15.8425","0.0009","90","","95.264","0.001","90","","1688.43","0.16","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 B F2 N O3 -","- C17 H24 B F2 N O3 -","- C68 H96 B4 F8 N4 O12 -","4","1","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","0.71073","MoKα","","0.0605","0.0415","","","0.0962","0.1072","","","","","","1.006","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126584","10.6561","0.0016","15.0608","0.0013","19.6214","0.0017","90","","90","","90","","3149","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F2 N O2 -","- C15 H22 B F2 N O2 -","- C120 H176 B8 F16 N8 O16 -","8","1","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","1.54178","CuKα","","0.0353","0.0323","","","0.085","0.0877","","","","","","1.038","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126585","9.1544","0.0009","13.25","0.002","17.443","0.003","99.524","0.008","102.213","0.005","106.236","0.004","1927.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 B N Si2 W -","- C16 H30 B N Si2 W -","- C64 H120 B4 N4 Si8 W4 -","4","2","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Dellermann, Theresa; Braunschweig, Holger","Transition-metal-carbene-like intermolecular insertion of a borylene into C-H bonds.","Chemical communications (Cambridge, England)","2020","56","53","7277","7280","10.1039/d0cc03075a","","","0.71073","MoKα","","0.0495","0.0347","","","0.0526","0.0577","","","","","","1.079","","","","has coordinates","253778","2020-10-21","18:00:00",""
"7126586","12.0424","0.0006","8.8836","0.0005","31.436","0.0015","90","","90.468","0.003","90","","3362.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H108 B4 N4 Si8 W2 -","- C49 H108 B4 N4 Si8 W2 -","- C98 H216 B8 N8 Si16 W4 -","2","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Dellermann, Theresa; Braunschweig, Holger","Transition-metal-carbene-like intermolecular insertion of a borylene into C-H bonds.","Chemical communications (Cambridge, England)","2020","56","53","7277","7280","10.1039/d0cc03075a","","","0.71073","MoKα","","0.0265","0.0219","","","0.0465","0.0479","","","","","","1.051","","","","has coordinates,has disorder","253778","2020-10-21","18:00:00",""
"7126587","27.6807","0.0005","27.6807","0.0005","9.6164","0.0003","90","","90","","120","","6381.1","0.3","293.3","0.7","293.3","0.7","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H27 N O4 S -","- C33 H27 N O4 S -","- C297 H243 N9 O36 S9 -","9","1","","Jiang, Bo; Du, Wei; Chen, Ying-Chun","Modified cinchona alkaloid-catalysed enantioselective [4+4] annulations of cyclobutenones and 1-azadienes.","Chemical communications (Cambridge, England)","2020","56","53","7257","7260","10.1039/d0cc02836c","","x-ray","1.54184","CuKα","","0.0527","0.0507","","","0.1402","0.1448","","","","","","1.056","","","","has coordinates","253780","2020-10-21","18:00:00",""
"7126588","11.6141","0.0005","12.7038","0.0005","13.4922","0.0006","90","","99.08","0.003","90","","1965.74","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N5 -","- C11 H9 N5 -","- C88 H72 N40 -","8","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.053","0.0461","","","0.1266","0.1336","","","","","","1.046","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126589","6.8862","0.0004","23.1744","0.0014","14.2313","0.0008","90","","102.434","0.004","90","","2217.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N9 O2 Zn -","- C24 H21 N9 O2 Zn -","- C96 H84 N36 O8 Zn4 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","0.71073","MoKα","","0.091","0.0511","","","0.1083","0.1229","","","","","","1.048","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126590","4.579","0.006","17.112","0.013","23.46","0.016","90","","93.02","0.08","90","","1836","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N9 -","- C22 H15 N9 -","- C88 H60 N36 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.1127","0.0674","","","0.1725","0.1976","","","","","","1.015","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126591","6.8635","0.0003","23.0498","0.0013","14.1576","0.0008","90","","102.251","0.003","90","","2188.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Co N9 O2 -","- C24 H21 Co N9 O2 -","- C96 H84 Co4 N36 O8 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.059","0.0468","","","0.1159","0.1228","","","","","","1.05","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126592","4.6467","0.0004","16.7271","0.0017","23.289","0.002","90","","92.885","0.007","90","","1807.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Cu N9 -","- C22 H13 Cu N9 -","- C88 H52 Cu4 N36 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.0851","0.049","","","0.1239","0.1454","","","","","","1.008","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126593","10.2137","0.0018","9.2639","0.0015","11.792","0.002","90","","110.27","0.005","90","","1046.6","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O5 P -","- C22 H25 O5 P -","- C44 H50 O10 P2 -","2","1","","Verma, Ram Subhawan; Khatana, Anil Kumar; Mishra, Monika; Kumar, Shailesh; Tiwari, Bhoopendra","Access to enantioenriched 4-phosphorylated δ-lactones from β-phosphorylenones and enals via carbene organocatalysis.","Chemical communications (Cambridge, England)","2020","56","52","7155","7158","10.1039/d0cc03204b","","","0.71073","MoKα","","0.1151","0.0483","","","0.08","0.095","","","","","","1.014","","","","has coordinates","253782","2020-10-21","18:00:00",""
"7126594","7.9478","0.0006","8.3539","0.0005","14.6488","0.001","74.878","0.006","76.982","0.006","83.501","0.006","913.27","0.11","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 B F2 N3 O -","- C22 H20 B F2 N3 O -","- C44 H40 B2 F4 N6 O2 -","2","1","","Chen, Yimin; Yuan, Chang; Xie, Tianxin; Li, Yuying; Dai, Bin; Zhou, Kaixiang; Liang, Yi; Dai, Jiapei; Tan, Hongwei; Cui, Mengchao","N,O-Benzamide difluoroboron complexes as near-infrared probes for the detection of β-amyloid and tau fibrils.","Chemical communications (Cambridge, England)","2020","56","53","7269","7272","10.1039/d0cc02820g","","x-ray","1.54184","CuKα","","0.0623","0.0467","","","0.1206","0.1332","","","","","","1.027","","","","has coordinates","253781","2020-10-21","18:00:00",""
"7126595","10.3667","0.0003","6.84234","0.00018","12.9093","0.0004","90","","110.345","0.003","90","","858.56","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O9 -","- C16 H16 N2 O9 -","- C32 H32 N4 O18 -","2","1","","Ghouilem, Juba; Franco, Rémi; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Regio- and diastereoselective Pd-catalyzed synthesis of C2-aryl glycosides.","Chemical communications (Cambridge, England)","2020","56","52","7175","7178","10.1039/d0cc02175j","","x-ray","0.71073","MoKα","","0.0447","0.0433","","","0.1142","0.1161","","","","","","1.074","","","","has coordinates","253789","2020-10-21","18:00:00",""
"7126596","22.301","0.005","20.14","0.005","17.499","0.005","90","0.005","107.336","0.005","90","0.005","7503","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Co2 N30 O44 Si W12 -","- C36 H30 Co2 N30 O44 Si W12 -","- C144 H120 Co8 N120 O176 Si4 W48 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.1001","0.0576","","","0.1188","0.1329","","","","","","1.12","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126597","22.237","0.005","20.176","0.005","17.67","0.005","90","0.005","106.768","0.005","90","0.005","7591","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cd2 N30 O44 Si W12 -","- C36 H30 Cd2 N30 O44 Si W12 -","- C144 H120 Cd8 N120 O176 Si4 W48 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.0745","0.0534","","","0.1288","0.1401","","","","","","1.046","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126598","22.386","0.005","19.981","0.005","17.554","0.005","90","0.005","107.121","0.005","90","0.005","7504","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N30 O44 Si W12 Zn2 -","- C36 H30 N30 O44 Si W12 Zn2 -","- C144 H120 N120 O176 Si4 W48 Zn8 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.0987","0.0673","","","0.128","0.1375","","","","","","1.246","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126599","22.277","0.005","20.082","0.005","17.409","0.005","90","0.005","107.033","0.005","90","0.005","7447","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Fe2 N30 O44 Si W12 -","- C36 H30 Fe2 N30 O44 Si W12 -","- C144 H120 Fe8 N120 O176 Si4 W48 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.114","0.0506","","","0.1053","0.126","","","","","","1.001","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126600","9.6309","0.0007","11.5396","0.0008","15.2779","0.001","103.549","0.006","102.775","0.006","98.081","0.006","1576.3","0.2","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H49 Al N2 O2 -","- C32 H49 Al N2 O2 -","- C64 H98 Al2 N4 O4 -","2","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.0629","0.0503","","","0.1299","0.1403","","","","","","1.034","","","","has coordinates","253783","2020-10-21","18:00:00",""
"7126601","10.1019","0.0006","14.8501","0.0012","15.5646","0.0011","111.216","0.007","103.321","0.006","97.899","0.006","2054.4","0.3","150","2","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C88.25 H120 Al2 N4 O6 -","- C88.25 H120 Al2 N4 O6 -","- C88.25 H120 Al2 N4 O6 -","1","0.5","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.1144","0.0669","","","0.1486","0.1784","","","","","","0.999","","","","has coordinates,has disorder","253783","2020-10-21","18:00:00",""
"7126602","9.8297","0.0011","29.388","0.008","25.847","0.002","90","","94.656","0.009","90","","7442","2","150","2","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H94 Al2 Cl4 N4 O6 -","- C81 H94 Al2 Cl4 N4 O6 -","- C324 H376 Al8 Cl16 N16 O24 -","4","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.2233","0.1028","","","0.2049","0.277","","","","","","0.997","","","","has coordinates","253783","2020-10-21","18:00:00",""
"7126603","12.4849","0.0009","14.4299","0.0009","18.0897","0.0011","90","","91.719","0.006","90","","3257.5","0.4","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H49 Al N2 O3 -","- C32 H49 Al N2 O3 -","- C128 H196 Al4 N8 O12 -","4","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.1502","0.0925","","","0.2158","0.2491","","","","","","1.073","","","","has coordinates,has disorder","253783","2020-10-21","18:00:00",""
"7126604","9.8437","0.0007","29.3","0.004","26.1541","0.0019","90","","94.073","0.007","90","","7524.3","1.3","150","2","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H94 Al2 Br4 N4 O6 -","- C81 H94 Al2 Br4 N4 O6 -","- C324 H376 Al8 Br16 N16 O24 -","4","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.2207","0.0991","","","0.1696","0.2342","","","","","","0.96","","","","has coordinates","253783","2020-10-21","18:00:00",""
"7126605","13.967","0.002","8.892","0.002","17.201","0.003","90","","110.46","0.04","90","","2001.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","1","","Schillmöller, Timo; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Three colour solid-state luminescence from positional isomers of facilely modified thiophosphoranyl anthracenes.","Chemical communications (Cambridge, England)","2020","56","54","7479","7482","10.1039/d0cc02585b","","","0.71073","MoKα","","0.0457","0.034","","","0.0787","0.0855","","","","","","1.034","","","","has coordinates","254914","2020-10-21","18:00:00",""
"7126606","9.649","0.002","16.139","0.003","13.295","0.003","90","","109.43","0.02","90","","1952.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","1","","Schillmöller, Timo; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Three colour solid-state luminescence from positional isomers of facilely modified thiophosphoranyl anthracenes.","Chemical communications (Cambridge, England)","2020","56","54","7479","7482","10.1039/d0cc02585b","","","0.71073","MoKα","","0.0549","0.0453","","","0.098","0.1019","","","","","","1.11","","","","has coordinates,has disorder","254914","2020-10-21","18:00:00",""
"7126607","18.0508","0.0007","17.7526","0.0007","24.8923","0.0009","90","","90","","90","","7976.7","0.5","120","2","120.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H75 Cl4 Cu4 N12 O29.5 S2 -","- C66 H75 Cl4 Cu4 N12 O29.5 S2 -","- C264 H300 Cl16 Cu16 N48 O118 S8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.0869","0.0608","","","0.143","0.1605","","","","","","1.045","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126608","15.352","0.005","15.546","0.005","19.838","0.006","73.309","0.009","78.299","0.012","63.132","0.009","4031","2","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H80 Cl4 Cu4 N12 O30 S2 -","- C68 H80 Cl4 Cu4 N12 O30 S2 -","- C136 H160 Cl8 Cu8 N24 O60 S4 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.1965","0.0915","","","0.1972","0.2513","","","","","","1.011","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126609","20.1897","0.0012","13.6168","0.0008","16.2901","0.001","90","","108.38","0.003","90","","4250","0.4","170","2","170","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C70 H86 Cl4 Cu4 N12 O31 S2 -","- C70 H85 Cl4 Cu4 N12 O31 S2 -","- C140 H170 Cl8 Cu8 N24 O62 S4 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.0896","0.0677","","","0.1749","0.1951","","","","","","1.02","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126610","18.6834","0.0005","18.4365","0.0006","16.0574","0.0004","90","","90","","90","","5531.1","0.3","193","","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 I2 Mo N P2 -","- C22 H42 I2 Mo N P2 -","- C176 H336 I16 Mo8 N8 P16 -","8","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1658","0.1137","","","0.1806","0.204","","","","","","1","","","","has coordinates","253772","2020-10-21","18:00:00",""
"7126611","15.3229","0.0006","20.668","0.0009","20.2145","0.0009","90","","101.531","0.007","90","","6272.6","0.5","183","","183","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H100 I2 Li2 Mo2 N4 O2 P4 -","- C52 H91 I2 Li2 Mo2 N4 O2 P4 -","- C208 H364 I8 Li8 Mo8 N16 O8 P16 -","4","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1448","0.0746","","","0.1046","0.1216","","","","","","1","","","","has coordinates","253772","2020-10-21","18:00:00",""
"7126612","16.2771","0.0004","18.0042","0.0004","20.8139","0.0004","90","","90","","90","","6099.6","0.2","198","","198","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H100 K Mo2 N8 O2 P4 -","- C52 H100 K Mo2 N8 O2 P4 -","- C208 H400 K4 Mo8 N32 O8 P16 -","4","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1279","0.0572","","","0.056","0.0635","","","","","","1","","","","has coordinates,has disorder","253772","2020-10-21","18:00:00",""
"7126613","15.1684","0.0004","20.9015","0.0006","21.1912","0.0005","84.099","0.006","86.66","0.006","69.37","0.005","6252.6","0.4","183","","183","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H99 I2 Li2 Mo2 N4 O1.5 P4 -","- C50 H99 I2 Li2 Mo2 N4 O1.5 P4 -","- C200 H396 I8 Li8 Mo8 N16 O6 P16 -","4","2","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.0728","0.0469","","","0.0765","0.0829","","","","","","1","","","","has coordinates","253772","2020-10-21","18:00:00",""
"7126614","9.9107","0.0003","12.0632","0.0003","14.3759","0.0004","90","","90","","90","","1718.71","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Li, Sifeng; Wang, Zihao; Xiao, Haitao; Bian, Zhaoxiang; Wang, Jun Joelle","Enantioselective synthesis of indole derivatives by Rh/Pd relay catalysis and their anti-inflammatory evaluation.","Chemical communications (Cambridge, England)","2020","56","55","7573","7576","10.1039/d0cc03158e","","x-ray","1.54178","CuKα","","0.0254","0.0249","","","0.0606","0.061","","","","","","1.065","","","","has coordinates","254861","2020-10-21","18:00:00",""
"7126615","5.27","0.05","7.44","0.05","18.99","0.08","90","","90","","90","","745","9","96","2","96","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Histidine","L-Histidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Zapata, Fabiola; González, Lidia; Bastida, Adolfo; Bautista, Delia; Caballero, Antonio","Formation of self-assembled supramolecular polymers by anti-electrostatic anion-anion and halogen bonding interactions.","Chemical communications (Cambridge, England)","2020","56","52","7084","7087","10.1039/d0cc02831b","","","0.02508","electron","","0.2041","0.1981","","","0.4176","0.4285","","","","","","1.539","","","","has coordinates","253788","2020-10-21","18:00:00",""
"7126616","17.1906","0.0005","6.2367","0.0002","21.3876","0.0007","90","","112.311","0.0014","90","","2121.37","0.12","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Osberger, Thomas J.; Kidd, Sarah L.; King, Thomas A.; Spring, David R.","C(sp<sup>3</sup>)-H arylation to construct all-syn cyclobutane-based heterobicyclic systems: a novel fragment collection.","Chemical communications (Cambridge, England)","2020","56","54","7423","7426","10.1039/d0cc03237a","","","1.54178","CuKα","","0.0461","0.0366","","","0.0883","0.0946","","","","","","1.072","","","","has coordinates","254917","2020-10-21","18:00:00",""
"7126617","8.3412","0.0004","20.3704","0.0009","10.3467","0.0005","90","","95.383","0.003","90","","1750.29","0.14","298","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.0975","0.0508","","","0.1366","0.167","","","","","","0.954","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126618","5.7544","0.0007","11.1791","0.0013","28.221","0.003","90","","95.062","0.002","90","","1808.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.0474","0.0388","","","0.1026","0.11","","","","","","1.078","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126619","16.8722","0.0015","6.0689","0.0004","18.7149","0.0019","90","","110.549","0.011","90","","1794.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(2-((9H-fluoren-9-ylidene)methyl)phenyl)pyridine","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.118","0.0832","","","0.2526","0.3373","","","","","","1.185","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126620","16.8262","0.0009","6.0687","0.0003","18.6754","0.001","90","","110.396","0.006","90","","1787.45","0.18","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-(2-((9H-fluoren-9-ylidene)methyl)phenyl)pyridine","4-(2-((9H-fluoren-9-ylidene)methyl)phenyl)pyridine","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.0988","0.0552","","","0.1129","0.1382","","","","","","1.08","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126621","10.0071","0.0002","10.6965","0.0002","12.3292","0.0003","90.333","0.002","103.664","0.002","108.641","0.002","1210.36","0.05","105","1","105","2","","","","","","","","5","P 1","P 1","1","","","","- C49 H65 Br N10 O7 -","- C49 H65 Br N10 O7 -","- C49 H65 Br N10 O7 -","1","1","","Milbeo, Pierre; Simon, Matthieu; Didierjean, Claude; Wenger, Emmanuel; Aubert, Emmanuel; Martinez, Jean; Amblard, Muriel; Calmès, Monique; Legrand, Baptiste","A bicyclic unit reversal to stabilize the 12/14-helix in mixed homochiral oligoureas.","Chemical communications (Cambridge, England)","2020","56","57","7921","7924","10.1039/d0cc02902e","","","0.71073","MoKα","","0.0456","0.0383","","","0.0852","0.0895","","","","","","1.062","","","","has coordinates","254889","2020-10-21","18:00:00",""
"7126622","11.7593","0.0003","11.7593","0.0003","63.07","0.003","90","","90","","90","","8721.4","0.5","114.6","0.3","114.6","0.3","","","","","","","","5","P 43","P 4cw","78","","","","- C81 H113 Br N19 O10 -","- C81 H113 Br N18 O11 -","- C324 H452 Br4 N72 O44 -","4","1","","Milbeo, Pierre; Simon, Matthieu; Didierjean, Claude; Wenger, Emmanuel; Aubert, Emmanuel; Martinez, Jean; Amblard, Muriel; Calmès, Monique; Legrand, Baptiste","A bicyclic unit reversal to stabilize the 12/14-helix in mixed homochiral oligoureas.","Chemical communications (Cambridge, England)","2020","56","57","7921","7924","10.1039/d0cc02902e","","","1.54184","CuKα","","0.1129","0.0986","","","0.2401","0.2471","","","","","","1.086","","","","has coordinates","254889","2020-10-21","18:00:00",""
"7126623","6.782","0.004","9.955","0.006","15.273","0.01","96.852","0.008","91.313","0.008","97.621","0.008","1014","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 B F N O3 -","- C21 H25 B F N O3 -","- C42 H50 B2 F2 N2 O6 -","2","1","","Su, Zhenni; Feng, Yunqiu; Zou, Rong; Qiu, Xianfan; Wang, Jian; Tao, Chuanzhou","Copper-catalyzed borylamidation of vinyl arenes with isocyanates.","Chemical communications (Cambridge, England)","2020","56","54","7483","7486","10.1039/c9cc09902f","","","0.71073","MoKα","","0.1181","0.0617","","","0.1635","0.2017","","","","","","0.988","","","","has coordinates","254912","2020-10-21","18:00:00",""
"7126624","11.831","0.007","21.434","0.014","14.563","0.01","90","","98.575","0.018","90","","3652","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H47 Au F6 N3 Sb Si3 -","- C27 H47 Au F6 N3 Sb Si3 -","- C108 H188 Au4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.0649","0.0363","","","0.0622","0.0708","","","","","","1.015","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126625","8.9235","0.0005","18.5223","0.0013","17.845","0.0012","90","","101.332","0.002","90","","2892","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Au Cl Ge N3 Si2 -","- C21 H41 Au Cl Ge N3 Si2 -","- C84 H164 Au4 Cl4 Ge4 N12 Si8 -","4","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.0457","0.028","","","0.0597","0.0668","","","","","","1.119","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126626","13.4432","0.0009","14.6762","0.0009","17.3789","0.0008","90","","100.206","0.001","90","","3374.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Au F6 N2 Sb -","- C33 H42 Au F6 N2 Sb -","- C132 H168 Au4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.0251","0.0201","","","0.0401","0.042","","","","","","1.037","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126627","12.132","0.003","13.703","0.005","17.467","0.006","112.033","0.007","104.987","0.007","92.737","0.008","2566","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H75 Co O4 P -","- C53 H80 Co O4 P -","- C106 H160 Co2 O8 P2 -","2","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.2596","0.1149","","","0.26","0.326","","","","","","1.05","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126628","22.214","0.007","18.276","0.006","18.686","0.006","90","","93.012","0.007","90","","7576","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 Au F6 N3 Sb Si3 -","- C29 H51 Au F6 N3 Sb Si3 -","- C232 H408 Au8 F48 N24 Sb8 Si24 -","8","2","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.1724","0.08","","","0.1492","0.1766","","","","","","1.078","","","","has coordinates,has disorder","254863","2020-10-21","18:00:00",""
"7126629","9.741","0.009","17.157","0.015","18.969","0.015","102.473","0.013","91.56","0.02","91.73","0.02","3092","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H46 Co N3 O Si3 -","- C27 H46 Co N3 O Si3 -","- C108 H184 Co4 N12 O4 Si12 -","4","2","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.1738","0.1474","","","0.3961","0.4128","","","","","","1.696","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126630","19.018","0.002","19.679","0.002","26.25","0.003","90","","90","","90","","9824.2","1.8","173","","173","","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C50.5 H113 Ag21 Cl5 S12 -","- C50.5 H113 Ag21 Cl5 S12 -","- C202 H452 Ag84 Cl20 S48 -","4","1","","Chen, Tao; Yang, Sha; Song, Yongbo; Chai, Jinsong; Li, Qinzhen; Ma, Xiangyu; Li, Guang; Yu, Haizhu; Zhu, Manzhou","All-thiolate-stabilized Ag<sub>42</sub> nanocluster with a tetrahedral kernel and its transformation to an Ag<sub>61</sub> nanocluster with a bi-tetrahedral kernel.","Chemical communications (Cambridge, England)","2020","56","55","7605","7608","10.1039/d0cc02537b","","","0.71073","MoKα","","0.1157","0.0866","","","0.2111","0.2415","","","","","","1.029","","","","has coordinates,has disorder","254862","2020-10-21","18:00:00",""
"7126631","22.088","0.011","39.696","0.019","39.85","0.02","90","","90","","90","","34941","3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C242 H444 Ag61 Cl5 S40 -","- C242 H439 Ag61 Cl5 S40 -","- C968 H1756 Ag244 Cl20 S160 -","4","1","","Chen, Tao; Yang, Sha; Song, Yongbo; Chai, Jinsong; Li, Qinzhen; Ma, Xiangyu; Li, Guang; Yu, Haizhu; Zhu, Manzhou","All-thiolate-stabilized Ag<sub>42</sub> nanocluster with a tetrahedral kernel and its transformation to an Ag<sub>61</sub> nanocluster with a bi-tetrahedral kernel.","Chemical communications (Cambridge, England)","2020","56","55","7605","7608","10.1039/d0cc02537b","","","0.71073","MoKα","","0.1429","0.0897","","","0.216","0.2502","","","","","","1.085","","","","has coordinates","254862","2020-10-21","18:00:00",""
"7126632","9.346","0.002","12.963","0.003","13.931","0.004","104.993","0.009","99.436","0.01","97.9","0.009","1579.3","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","ethyl 1-phenylpyrazolo[1,5-c]quinazoline-2-carboxylate","","- C38 H30 N6 O4 -","- C38 H30 N6 O4 -","- C76 H60 N12 O8 -","2","1","","Liu, Lu; Li, Lei; Mao, Shukuan; Wang, Xin; Zhou, Ming-Dong; Zhao, Yu-Long; Wang, He","Synthesis of pyrazolo[1,5-c]quinazoline derivatives through the copper-catalyzed domino reaction of o-alkenyl aromatic isocyanides with diazo compounds.","Chemical communications (Cambridge, England)","2020","56","55","7665","7668","10.1039/d0cc00594k","","","0.71073","MoKα","","0.1647","0.0818","","","0.1788","0.2228","","","","","","1.037","","","","has coordinates","254860","2020-10-21","18:00:00",""
"7126634","7.9823","0.0008","13.9805","0.0014","24.662","0.003","90","","90","","90","","2752.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H39 Br F12 N6 P2 -","- C17 H39 Br F12 N6 P2 -","- C68 H156 Br4 F48 N24 P8 -","4","1","","Shircliff, Anthony D.; Burke, Benjamin P.; Davilla, Dustin J.; Burgess, Gwendolyn E.; Okorocha, Faith A.; Shrestha, Alina; Allbritton, Elisabeth M. A.; Nguyen, Phillip T.; Lamar, Rachael L.; Jones, Donald G.; Gorbet, Michael-Joseph; Allen, Michael B.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Archibald, Stephen J.; Prior, Timothy J.; Krause, Jeanette A.; Oliver, Allen G.; Hubin, Timothy J.","An ethylene cross-bridged pentaazamacrocycle and its Cu<sup>2+</sup> complex: constrained ligand topology and excellent kinetic stability.","Chemical communications (Cambridge, England)","2020","56","54","7519","7522","10.1039/d0cc00919a","","","0.7749","synchrotron","","0.0486","0.0411","","","0.1072","0.1105","","","","","","1.069","","","","has coordinates","254915","2020-10-21","18:00:00",""
"7126635","8.8067","0.0014","15.792","0.002","14.03","0.002","90","","90.357","0.004","90","","1951.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 Cl2 Cu N5 O1.79 -","- C15 H33 Cl1.999 Cu N5 O1.792 -","- C60 H132 Cl7.996 Cu4 N20 O7.168 -","4","1","","Shircliff, Anthony D.; Burke, Benjamin P.; Davilla, Dustin J.; Burgess, Gwendolyn E.; Okorocha, Faith A.; Shrestha, Alina; Allbritton, Elisabeth M. A.; Nguyen, Phillip T.; Lamar, Rachael L.; Jones, Donald G.; Gorbet, Michael-Joseph; Allen, Michael B.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Archibald, Stephen J.; Prior, Timothy J.; Krause, Jeanette A.; Oliver, Allen G.; Hubin, Timothy J.","An ethylene cross-bridged pentaazamacrocycle and its Cu<sup>2+</sup> complex: constrained ligand topology and excellent kinetic stability.","Chemical communications (Cambridge, England)","2020","56","54","7519","7522","10.1039/d0cc00919a","","","0.7749","synchrotron","","0.1734","0.0787","","","0.1748","0.2109","","","","","","1.042","","","","has coordinates,has disorder","254915","2020-10-21","18:00:00",""
"7126636","16.5537","0.0009","18.04","0.0009","15.0137","0.0007","90","","97.514","0.002","90","","4445","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.62 H35.5 I2 N5 O1.62 -","- C15.625 H35.5 I2 N5 O1.625 -","- C125 H284 I16 N40 O13 -","8","1","","Shircliff, Anthony D.; Burke, Benjamin P.; Davilla, Dustin J.; Burgess, Gwendolyn E.; Okorocha, Faith A.; Shrestha, Alina; Allbritton, Elisabeth M. A.; Nguyen, Phillip T.; Lamar, Rachael L.; Jones, Donald G.; Gorbet, Michael-Joseph; Allen, Michael B.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Archibald, Stephen J.; Prior, Timothy J.; Krause, Jeanette A.; Oliver, Allen G.; Hubin, Timothy J.","An ethylene cross-bridged pentaazamacrocycle and its Cu<sup>2+</sup> complex: constrained ligand topology and excellent kinetic stability.","Chemical communications (Cambridge, England)","2020","56","54","7519","7522","10.1039/d0cc00919a","","","0.7288","synchrotron","","0.0307","0.0258","","","0.0532","0.056","","","","","","1.076","","","","has coordinates,has disorder","254915","2020-10-21","18:00:00",""
"7126637","8.768","0.007","9.173","0.007","10.452","0.008","89.574","0.009","84.573","0.009","78.861","0.009","821.1","1.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F N2 -","- C21 H15 F N2 -","- C42 H30 F2 N4 -","2","1","","Zhu, Zhongzhi; Lin, Hanze; Liang, Baihui; Huang, Junjie; Liang, Wanyi; Chen, Lu; Huang, Yubing; Chen, Xiuwen; Li, Yibiao","Copper-catalyzed [2+3]-annulation of N-H imines with vinyl azides: access to polyaryl 2H-imidazoles.","Chemical communications (Cambridge, England)","2020","56","42","5621","5624","10.1039/c9cc10042c","","","0.71073","MoKα","","0.0829","0.0491","","","0.1219","0.1401","","","","","","1.017","","","","has coordinates","252645","2020-10-21","18:00:00",""
"7126638","10.8241","0.0006","18.2147","0.0009","32.3647","0.0017","102.209","0.004","97.728","0.004","104.498","0.005","5918.4","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Au F6 N6 O6 P -","- C60 H70 Au F6 N6 O6 P -","- C240 H280 Au4 F24 N24 O24 P4 -","4","2","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.","Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2020","56","57","7877","7880","10.1039/d0cc03339a","","","0.97741","synchrotron","","0.1414","0.1301","","","0.3272","0.338","","","","","","1.718","","","","has coordinates,has disorder","254891","2020-10-21","18:00:00",""
"7126639","16.4786","0.0001","22.1586","0.0001","27.4653","0.0002","90","","90","","90","","10028.8","0.11","99.9","0.2","99.9","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H60 Au F6 N4 O3 P -","- C52 H60 Au F6 N4 O3 P -","- C416 H480 Au8 F48 N32 O24 P8 -","8","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.","Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2020","56","57","7877","7880","10.1039/d0cc03339a","","x-ray","1.54184","CuKα","","0.032","0.0298","","","0.0806","0.0836","","","","","","1.047","","","","has coordinates","254891","2020-10-21","18:00:00",""
"7126640","17.129","0.004","14.925","0.003","19.946","0.004","90","","107.13","0.005","90","","4873","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 Au F6 N4 O3 P -","- C50 H62 Au F6 N4 O3 P -","- C200 H248 Au4 F24 N16 O12 P4 -","4","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.","Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2020","56","57","7877","7880","10.1039/d0cc03339a","","","0.71073","MoKα","","0.0634","0.0368","","","0.0764","0.0845","","","","","","1.016","","","","has coordinates,has disorder","254891","2020-10-21","18:00:00",""
"7126641","8.547","0.003","10.078","0.004","10.245","0.004","92.009","0.007","106.09","0.006","100.898","0.006","829","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 I N5 -","- C18 H10 I N5 -","- C36 H20 I2 N10 -","2","1","","Zou, Long; Wang, Lei; Sun, Li; Xie, Xiaofei; Li, Pinhua","Photo-driven haloazidation cyclization of 1,5-enynes having cyano groups with TMSN<sub>3</sub> and NIS/NCS/NBS under metal-free conditions.","Chemical communications (Cambridge, England)","2020","56","57","7933","7936","10.1039/d0cc02471f","","","0.71073","MoKα","","0.0343","0.0303","","","0.0705","0.0719","","","","","","1.08","","","","has coordinates","254882","2020-10-21","18:00:00",""
"7126642","13.1742","0.0003","26.8362","0.0006","18.2963","0.0003","90","","90.747","0.002","90","","6468","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 Cl6 Fe2 P4 Rh2 -","- C71 H60 Cl6 Fe2 P4 Rh2 -","- C284 H240 Cl24 Fe8 P16 Rh8 -","4","1","","Barnett, Harrison J.; Hill, Anthony F.","Halogenation of A-frame μ-carbido complexes: a diamagnetic rhodium(ii) carbido complex.","Chemical communications (Cambridge, England)","2020","56","56","7738","7740","10.1039/d0cc02349c","","x-ray","0.71073","MoKα","","0.074","0.048","","","0.0975","0.1091","","","","","","1.103","","","","has coordinates,has disorder","254880","2020-10-21","18:00:00",""
"7126643","13.1949","0.0004","31.055","0.0006","40.4621","0.0007","90","","90","","90","","16580.1","0.7","150","0.1","150","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C34.5 H28 Cl2 Fe P2 Rh -","- C34.5 H28 Cl2 Fe P2 Rh -","- C552 H448 Cl32 Fe16 P32 Rh16 -","16","0.5","","Barnett, Harrison J.; Hill, Anthony F.","Halogenation of A-frame μ-carbido complexes: a diamagnetic rhodium(ii) carbido complex.","Chemical communications (Cambridge, England)","2020","56","56","7738","7740","10.1039/d0cc02349c","","x-ray","1.54184","CuKα","","0.0486","0.0463","","","0.136","0.139","","","","","","1.084","","","","has coordinates","254880","2020-10-21","18:00:00",""
"7126644","7.3978","0.0002","17.6152","0.0004","18.2995","0.0005","98.202","0.001","99.446","0.001","90.544","0.001","2326.96","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C104 H128 O24 -","4","2","","Barnes, Timothy H.; Johnson, Kara F.; Gorden, John D.; Merner, Bradley L.","A macrocycle directed total synthesis of di-O-methylendiandrin A.","Chemical communications (Cambridge, England)","2020","56","62","8747","8749","10.1039/d0cc03302b","","","1.54178","CuKα","","0.0379","0.034","","","0.0846","0.088","","","","","","1.021","","","","has coordinates","256003","2020-10-21","18:00:00",""
"7126645","41.915","0.003","9.9907","0.0009","26.883","0.002","90","","116.974","0.005","90","","10032.9","1.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-3-((E)-3-(4-((4'-(bis(4-methoxyphenyl)amino)-[1,1'-biphenyl]-4-yl)methyl)piperazin-1-yl)-1,3-diphenylallylidene)-1-tosylindolin-2-one","","- C61 H54 N4 O5 S -","- C61 H54 N4 O5 S -","- C488 H432 N32 O40 S8 -","8","1","","Denißen, Melanie; Hannen, Ricarda; Itskalov, Dana; Biesen, Lukas; Nirmalananthan-Budau, Nithiya; Hoffmann, Katrin; Reiss, Guido J.; Resch-Genger, Ute; Müller, Thomas J J","One-pot synthesis of a white-light emissive bichromophore operated by aggregation-induced dual emission (AIDE) and partial energy transfer.","Chemical communications (Cambridge, England)","2020","56","54","7407","7410","10.1039/d0cc03451g","","","1.54178","CuKα","","0.0775","0.0485","","","0.1032","0.1169","","","","","","1.096","","","","has coordinates","254919","2020-10-21","18:00:00",""
"7126646","10.6908","0.0009","11.1997","0.0013","14.8988","0.0016","93.513","0.009","110.671","0.009","113.518","0.01","1487.3","0.3","294.97","0.1","294.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cl2 N2 O6 -","- C32 H32 Cl2 N2 O6 -","- C64 H64 Cl4 N4 O12 -","2","1","","Dong, Kui; Jin, Xiao-Ling; Chen, Shihao; Wu, Li-Zhu; Liu, Qiang","Controllable synthesis of 2- and 3-aryl-benzomorpholines from 2-aminophenols and 4-vinylphenols.","Chemical communications (Cambridge, England)","2020","56","57","7941","7944","10.1039/d0cc02662j","","","0.71073","MoKα","","0.1084","0.061","","","0.1329","0.1678","","","","","","1.042","","","","has coordinates","254885","2020-10-21","18:00:00",""
"7126647","8.5657","0.0006","9.2244","0.0004","19.2955","0.001","90","","100.946","0.005","90","","1496.87","0.15","294.85","0.1","294.85","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C64 H64 Cl4 N4 O12 -","4","1","","Dong, Kui; Jin, Xiao-Ling; Chen, Shihao; Wu, Li-Zhu; Liu, Qiang","Controllable synthesis of 2- and 3-aryl-benzomorpholines from 2-aminophenols and 4-vinylphenols.","Chemical communications (Cambridge, England)","2020","56","57","7941","7944","10.1039/d0cc02662j","","","0.71073","MoKα","","0.0751","0.0487","","","0.1047","0.1257","","","","","","1.05","","","","has coordinates","254885","2020-10-21","18:00:00",""
"7126648","8.9718","0.0003","14.0281","0.0004","17.394","0.0006","81.344","0.003","82.327","0.003","74.196","0.003","2072.54","0.12","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H46 B2 F8 N4 Ni O9 P4 -","- C29 H46 B2 F8 N4 Ni O9 P4 -","- C58 H92 B4 F16 N8 Ni2 O18 P8 -","2","1","","Hanf, Schirin; Grell, Toni; Waters, Jessica E.; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","Facile synthesis of a nickel(0) phosphine complex at ambient temperature.","Chemical communications (Cambridge, England)","2020","56","57","7893","7896","10.1039/d0cc02142c","","","0.71073","MoKα","","0.0725","0.0505","","","0.1248","0.1384","","","","","","1.019","","","","has coordinates,has disorder","254890","2020-10-21","18:00:00",""
"7126649","13.9432","0.0004","14.8675","0.0003","21.0174","0.0005","90","","109.024","0.003","90","","4118.95","0.19","343","","343","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H88 N36 Re4 -","- C64 H88 N36 Re4 -","- C128 H176 N72 Re8 -","2","0.5","","Yanagisawa, Junichi; Hiraoka, Tomoaki; Kobayashi, Fumiya; Saito, Daisuke; Yoshida, Masaki; Kato, Masako; Takeiri, Fumitaka; Kobayashi, Genki; Ohba, Masaaki; Lindoy, Leonard F.; Ohtani, Ryo; Hayami, Shinya","Luminescent ionic liquid formed from a melted rhenium(v) cluster.","Chemical communications (Cambridge, England)","2020","56","57","7957","7960","10.1039/d0cc02937h","","","0.71075","MoKα","","0.0655","0.0411","","","0.0853","0.1054","","","","","","1.194","","","","has coordinates,has disorder","254888","2020-10-21","18:00:00",""
"7126650","13.7177","0.0002","14.6965","0.0002","20.9142","0.0004","90","","108.894","0.002","90","","3989.17","0.12","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EmImRe_173K","","- C64 H88 N36 Re4 -","- C64 H88 N36 Re4 -","- C128 H176 N72 Re8 -","2","0.5","","Yanagisawa, Junichi; Hiraoka, Tomoaki; Kobayashi, Fumiya; Saito, Daisuke; Yoshida, Masaki; Kato, Masako; Takeiri, Fumitaka; Kobayashi, Genki; Ohba, Masaaki; Lindoy, Leonard F.; Ohtani, Ryo; Hayami, Shinya","Luminescent ionic liquid formed from a melted rhenium(v) cluster.","Chemical communications (Cambridge, England)","2020","56","57","7957","7960","10.1039/d0cc02937h","","","0.71075","MoKα","","0.0419","0.027","","","0.0589","0.0836","","","","","","1.2","","","","has coordinates","254888","2020-10-21","18:00:00",""
"7126651","14.0768","0.0015","14.8467","0.0016","20.953","0.002","90","","109.516","0.001","90","","4127.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EmImRe_H2O_100K","","- C64 H84 N36 O4 Re4 -","- C64 H92 N36 O4 Re4 -","- C128 H184 N72 O8 Re8 -","2","0.5","","Yanagisawa, Junichi; Hiraoka, Tomoaki; Kobayashi, Fumiya; Saito, Daisuke; Yoshida, Masaki; Kato, Masako; Takeiri, Fumitaka; Kobayashi, Genki; Ohba, Masaaki; Lindoy, Leonard F.; Ohtani, Ryo; Hayami, Shinya","Luminescent ionic liquid formed from a melted rhenium(v) cluster.","Chemical communications (Cambridge, England)","2020","56","57","7957","7960","10.1039/d0cc02937h","","","0.71073","MoKα","","0.0275","0.0254","","","0.0641","0.0651","","","","","","1.063","","","","has coordinates,has disorder","254888","2020-10-21","18:00:00",""
"7126652","14.829","0.012","5.526","0.005","18.143","0.011","90","","127.47","0.04","90","","1180","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Cl F N O4 S2 -","- C7 H13 Cl F N O4 S2 -","- C28 H52 Cl4 F4 N4 O16 S8 -","4","1","","Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li","But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.","Chemical communications (Cambridge, England)","2020","56","58","8075","8078","10.1039/d0cc03248d","","","0.71073","MoKα","","0.1001","0.0779","","","0.1805","0.193","","","","","","1.089","","","","has coordinates","254868","2020-10-21","18:00:00",""
"7126653","12.6609","0.0011","10.4865","0.0009","9.8417","0.0008","90","","97.188","0.002","90","","1296.4","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 F N O4 S2 -","- C8 H16 F N O4 S2 -","- C32 H64 F4 N4 O16 S8 -","4","1","","Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li","But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.","Chemical communications (Cambridge, England)","2020","56","58","8075","8078","10.1039/d0cc03248d","","","0.71073","MoKα","","0.0774","0.0483","","","0.1216","0.1404","","","","","","1.071","","","","has coordinates,has disorder","254868","2020-10-21","18:00:00",""
"7126654","14.0641","0.0012","9.2583","0.0008","12.1126","0.0011","90","","102.973","0.003","90","","1536.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F N2 O5 S2 -","- C12 H15 F N2 O5 S2 -","- C48 H60 F4 N8 O20 S8 -","4","1","","Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li","But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.","Chemical communications (Cambridge, England)","2020","56","58","8075","8078","10.1039/d0cc03248d","","","0.71073","MoKα","","0.0954","0.0561","","","0.1493","0.1842","","","","","","1.095","","","","has coordinates","254868","2020-10-21","18:00:00",""
"7126655","11.5596","0.0006","16.1768","0.0009","12.4775","0.0008","90","","95.002","0.006","90","","2324.4","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 F3 N3 O3 S -","- C20 H36 F3 N3 O3 S -","- C80 H144 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.1269","0.1055","","","0.2703","0.2841","","","","","","1.071","","","","has coordinates,has disorder","254911","2020-10-21","18:00:00",""
"7126656","15.1826","0.0009","8.4655","0.0005","16.3019","0.001","90","","108.622","0.006","90","","1985.6","0.2","120.02","0.1","120.02","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N3 -","- C20 H37 N3 -","- C80 H148 N12 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.1097","0.0776","","","0.1949","0.2127","","","","","","1.051","","","","has coordinates,has disorder","254911","2020-10-21","18:00:00",""
"7126657","17.893","0.0006","8.3124","0.0002","19.3921","0.0006","90","","107.751","0.004","90","","2746.94","0.15","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 F6 N3 O6 S2 -","- C21 H35 F6 N3 O6 S2 -","- C84 H140 F24 N12 O24 S8 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.05","0.0394","","","0.0935","0.0986","","","","","","1.066","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126658","8.571","0.0017","6.972","0.0014","21.017","0.004","90","","90","","90","","1255.9","0.4","119.98","0.1","119.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H15 F3 N2 O3 S -","- C9 H15 F3 N2 O3 S -","- C36 H60 F12 N8 O12 S4 -","4","0.5","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0491","0.0441","","","0.1276","0.131","","","","","","1.067","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126659","8.2515","0.0002","15.1873","0.0005","20.33","0.0005","81.547","0.002","87.795","0.002","80.681","0.002","2486.5","0.12","119.96","0.1","119.96","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 F12 N6 O12 S4 -","- C36 H58 F12 N6 O12 S4 -","- C72 H116 F24 N12 O24 S8 -","2","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0682","0.054","","","0.137","0.1445","","","","","","1.028","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126660","7.4452","0.0004","18.8437","0.0009","21.3251","0.001","90","","90","","90","","2991.8","0.3","185.84","0.1","185.84","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 F3 N3 O3 S -","- C29 H46 F3 N3 O3 S -","- C116 H184 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0419","0.0377","","","0.0925","0.0945","","","","","","1.047","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126661","9.3281","0.0005","23.912","0.0012","11.1067","0.0006","90","","111.055","0.006","90","","2312","0.2","119.98","0.1","119.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 F3 N3 O3 S -","- C20 H34 F3 N3 O3 S -","- C80 H136 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0534","0.0388","","","0.0898","0.0945","","","","","","1.058","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126662","8.4819","0.0003","26.6123","0.0007","11.1305","0.0004","90","","104.586","0.004","90","","2431.44","0.15","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 F3 N3 O3 S -","- C21 H38 F3 N3 O3 S -","- C84 H152 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0435","0.0368","","","0.094","0.0968","","","","","","1.047","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126663","11.4405","0.0006","19.999","0.0008","16.0796","0.0008","90","","107.195","0.005","90","","3514.6","0.3","120.03","0.1","120.03","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 F6 N3 O6 S2 -","- C30 H45 F6 N3 O6 S2 -","- C120 H180 F24 N12 O24 S8 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0602","0.0438","","","0.1094","0.1153","","","","","","1.082","","","","has coordinates,has disorder","254911","2020-10-21","18:00:00",""
"7126664","9.409","0.0003","10.8582","0.0004","13.6751","0.0005","73.417","0.003","88.835","0.003","73.82","0.003","1283.31","0.08","119.96","0.1","119.96","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H45 N3 -","- C28 H45 N3 -","- C56 H90 N6 -","2","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0422","0.0378","","","0.0944","0.0974","","","","","","1.032","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126665","12.537","0.012","13.807","0.013","13.921","0.014","115.493","0.011","98.531","0.012","104.79","0.013","2009","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 N2 O8 S2 -","- C39 H36.503 N2 O8 S2 -","- C78 H73.006 N4 O16 S4 -","2","1","","Tang, Bu-Zheng; Hao, Wen-Juan; Li, Jia-Zhuo; Zhu, Shan-Shan; Tu, Shu-Jiang; Jiang, Bo","Stereoselective synthesis of fully substituted ethylenes via an Ag-catalyzed 1,6-nucleophilic addition/annulation cascade.","Chemical communications (Cambridge, England)","2020","56","56","7749","7752","10.1039/c9cc10022a","","","0.71073","MoKα","","0.2756","0.1441","","","0.3298","0.3943","","","","","","0.9","","","","has coordinates,has disorder","254879","2020-10-21","18:00:00",""
"7126666","20.123","0.0011","20.4221","0.001","21.1299","0.0011","81.209","0.002","76.368","0.002","72.895","0.002","8032.9","0.7","90","","90","","","","","","","","","7","P -1","-P 1","2","(C24H18N2O4)(C24H32O8)2(C32H12BF24)2(CHCl3)3(MeOH)2(H2O)","","","- C141 H119 B2 Cl9 F48 N2 O23 -","- C140.999 H116.999 B2 Cl8.997 F48 N2 O23 -","- C281.998 H233.998 B4 Cl17.994 F96 N4 O46 -","2","1","","Sakata, Yoko; Ogura, Takaya; Akine, Shigehisa","Efficient formation of [3]pseudorotaxane based on cooperative complexation of dibenzo-24-crown-8 with diphenylviologen axle.","Chemical communications (Cambridge, England)","2020","56","62","8735","8738","10.1039/d0cc03131c","","","1.54178","CuKα","","0.081","0.0757","","","0.2182","0.2238","","","","","","1.045","","","","has coordinates,has disorder","256006","2020-10-21","18:00:00",""
"7126667","29.306","0.004","9.4752","0.0009","11.4635","0.0011","90","","90","","90","","3183.2","0.6","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","N-(tert-butyl)-N'-((4-nitrophenyl)sulfonyl)acetimidamide","","- C13 H14.5 N3.5 O4 S -","- C13 H17 N3.5 O4 S -","- C104 H136 N28 O32 S8 -","8","1","","Mishra, Debashish; Borah, Arun Jyoti; Phukan, Pinakinee; Hazarika, Debojit; Phukan, Prodeep","Unprecedented 1,3-tert-butyl migration via the C-N single bond scission of isonitrile: an expedient metal-free route to N-sulfonyl amidines.","Chemical communications (Cambridge, England)","2020","56","60","8408","8411","10.1039/d0cc02430a","","","0.71073","MoKα","","0.0418","0.0368","","","0.106","0.1205","","","","","","0.542","","","","has coordinates","254898","2020-10-21","18:00:00",""
"7126668","8.4114","0.0006","11.119","0.0008","17.6646","0.0011","90","","103.661","0.003","90","","1605.37","0.19","253","0.1","253","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C48 H48 F16 I8 N8 -","4","0.5","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","0.71073","MoKα","","0.0297","0.0215","","","0.0467","0.0504","","","","","","1.043","","","","has coordinates,has disorder","254902","2020-10-21","18:00:00",""
"7126669","7.5107","0.0005","12.8506","0.0008","13.4853","0.0009","94.235","0.002","102.514","0.002","102.883","0.002","1228.41","0.14","253","0.1","253","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F8 I4 N2 -","- C18 H12 F8 I4 N2 -","- C36 H24 F16 I8 N4 -","2","1","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","0.71073","MoKα","","0.0658","0.038","","","0.0769","0.0862","","","","","","1.03","","","","has coordinates,has disorder","254902","2020-10-21","18:00:00",""
"7126670","6.5273","0.0005","17.4784","0.0013","19.2084","0.0014","90","","90","","90","","2191.4","0.3","253","0.1","253","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 F4 I2 N4 -","- C18 H24 F4 I2 N4 -","- C72 H96 F16 I8 N16 -","4","1","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","0.71073","MoKα","","0.0683","0.0465","","","0.0754","0.0809","","","","","","1.072","","","","has coordinates","254902","2020-10-21","18:00:00",""
"7126671","6.7231","0.0005","14.097","0.001","17.5147","0.0013","76.882","0.003","80.884","0.003","78.615","0.002","1573.6","0.2","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C48 H48 F16 I8 N8 -","4","2","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","1.54178","CuKα","","0.0686","0.0632","","","0.1806","0.1899","","","","","","1.061","","","","has coordinates","254902","2020-10-21","18:00:00",""
"7126672","8.0685","0.0011","8.5074","0.0008","10.8878","0.0013","93.111","0.009","96.047","0.01","91.869","0.009","741.55","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C36 H30 N6 -","2","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","x-ray","1.54184","CuKα","","0.0466","0.041","","","0.1161","0.122","","","","","","1.064","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126673","8.4918","0.0005","10.0409","0.0005","16.7446","0.0007","90","","100.191","0.005","90","","1405.21","0.13","295.72","0.11","295.72","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","","0.71073","MoKα","","0.0839","0.0543","","","0.1212","0.1426","","","","","","1.085","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126674","8.271","0.0002","9.9844","0.0002","18.3806","0.0004","90","","102.74","0.002","90","","1480.52","0.06","293.1","0.2","293.1","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","","1.54184","CuKα","","0.0464","0.0433","","","0.1176","0.1215","","","","","","1.059","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126675","9.278","0.0004","23.2807","0.0007","7.4089","0.0003","90","","102.52","0.004","90","","1562.26","0.11","292.77","0.1","292.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","","1.54184","CuKα","","0.0527","0.0454","","","0.1261","0.1337","","","","","","1.049","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126676","9.4411","0.0006","9.816","0.0007","22.436","0.0014","97.004","0.002","91.791","0.002","113.348","0.003","1887.5","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H73 Mo2 -","- C37 H73 Mo2 -","- C74 H146 Mo4 -","2","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71075","MoKα","","0.0201","0.0184","","","0.0522","0.0527","","","","","","1.064","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126677","8.443","0.002","26.099","0.006","9.924","0.003","90","","113.425","0.005","90","","2006.6","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl4 Mo -","- C17 H29 Cl4 Mo -","- C68 H116 Cl16 Mo4 -","4","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71075","MoKα","","0.0441","0.0267","","","0.0544","0.0569","","","","","","1.01","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126678","9.704","0.0018","15.687","0.0016","17.654","0.002","90","","97.336","0.007","90","","2665.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 K O6.5 -","- C24 H43 K O6.5 -","- C96 H172 K4 O26 -","4","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71073","MoKα","","0.0811","0.0448","","","0.1189","0.1269","","","","","","0.833","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126679","10.038","0.002","13.927","0.003","18.546","0.004","99.992","0.004","105.254","0.004","94.41","0.004","2442.9","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H78 K Mo2 O8 -","- C47 H78 K Mo2 O8 -","- C94 H156 K2 Mo4 O16 -","2","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71075","MoKα","","0.0733","0.0572","","","0.1499","0.162","","","","","","1.089","","","","has coordinates,has disorder","254867","2020-10-21","18:00:00",""
"7126680","21.34","0.004","19.875","0.003","19.984","0.003","90","","119.218","0.003","90","","7397","2","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C40 H64 Mo2 -","- C40 H64 Mo2 -","- C320 H512 Mo16 -","8","2","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71073","MoKα","","0.0707","0.0504","","","0.1225","0.1321","","","","","","1.04","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126681","9.1221","0.0005","10.3996","0.0005","24.2182","0.0012","83.396","0.004","80.039","0.004","79.81","0.004","2218.7","0.2","173","0.14","173","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 O9 Si2 -","- C30 H26 O9 Si2 -","- C90 H78 O27 Si6 -","3","1.5","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","x-ray","0.71073","MoKα","","0.1515","0.0727","","","0.1551","0.1972","","","","","","1.013","","","","has coordinates","254881","2020-10-21","18:00:00",""
"7126682","17.2986","0.0005","30.7451","0.0006","27.021","0.0006","90","","90","","90","","14371","0.6","103","2","103","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C25.5 H35.5 N3.5 O10 Si Zr1.5 -","- C15 H11 O8.5 Si Zr1.5 -","- C240 H176 O136 Si16 Zr24 -","16","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","","0.71073","MoKα","","0.0963","0.0591","","","0.1665","0.1826","","","","","","1.014","","","","has coordinates","254881","2020-10-21","18:00:00",""
"7126683","17.2191","0.00016","30.6244","0.0002","27.1584","0.0003","90","","90","","90","","14321.3","0.2","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H32 Hf1.5 N3 O9.5 Si -","- C15 H11 Hf1.5 O8.5 Si -","- C240 H176 Hf24 O136 Si16 -","16","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","","1.54184","CuKα","","0.0502","0.0495","","","0.1438","0.1446","","","","","","1.083","","","","has coordinates,has disorder","254881","2020-10-21","18:00:00",""
"7126684","9.2626","0.0005","10.0278","0.0006","12.623","0.0007","77.431","0.005","89.378","0.004","73.685","0.005","1096.71","0.11","293.63","0.13","293.63","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N O5 S -","- C25 H19 N O5 S -","- C50 H38 N2 O10 S2 -","2","1","","Cheng, Bin; Zhang, Xinping; Li, Yuntong; Li, Hui; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and α-functionalized bromoalkanes via a stepwise [(5+1)-1] pathway.","Chemical communications (Cambridge, England)","2020","56","60","8396","8399","10.1039/d0cc03446k","","x-ray","1.54184","CuKα","","0.0661","0.0593","","","0.1556","0.1637","","","","","","1.066","","","","has coordinates","254892","2020-10-21","18:00:00",""
"7126685","17.579","0.007","14.548","0.006","17.555","0.009","90","","92.35","0.008","90","","4486","3","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H66 Co -","- C56 H66 Co -","- C224 H264 Co4 -","4","0.5","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","","0.71073","MoKα","","0.0876","0.0521","","","0.1308","0.1489","","","","","","0.998","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126686","12.2172","0.0002","30.7592","0.0005","16.4155","0.0003","90","","109.962","0.002","90","","5798.18","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 D6 Ga2 I4 -","- C62 H66 D6 Ga2 I4 -","- C248 H264 D24 Ga8 I16 -","4","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","","1.54184","CuKα","","0.0455","0.0352","","","0.0922","0.0972","","","","","","1.083","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126687","15.1817","0.0003","17.9327","0.0004","16.9613","0.0003","90","","91.9796","0.0018","90","","4614.94","0.16","120","2","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 Ga I -","- C56 H66 Ga I -","- C224 H264 Ga4 I4 -","4","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","x-ray","1.54184","CuKα","","0.0529","0.0484","","","0.1262","0.1315","","","","","","1.062","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126688","16.6877","0.0004","17.7466","0.0004","24.3929","0.0006","90","","90","","90","","7224","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Co Ga3 I5 -","- C28 H33 Co Ga3 I5 -","- C224 H264 Co8 Ga24 I40 -","8","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","x-ray","1.54184","CuKα","","0.2575","0.2497","","","0.5893","0.5981","","","","","","2.777","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7126689","20.1625","0.0009","13.8708","0.0006","17.0402","0.0008","90","","101.025","0.005","90","","4677.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Co Ga4 I8 O -","- C32 H41 Co Ga4 I8 O -","- C128 H164 Co4 Ga16 I32 O4 -","4","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","","1.54184","CuKα","","0.1301","0.0922","","","0.2288","0.2667","","","","","","1.02","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126690","10.9146","0.0016","12.9032","0.0019","14.947","0.002","91.818","0.001","106.55","0.001","94.174","0.001","2009.4","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H32 Cl2 Ir N3 O S2 -","- C52 H32 Cl2 Ir N3 O S2 -","- C104 H64 Cl4 Ir2 N6 O2 S4 -","2","1","","Lai, Po-Ni; Yoon, Sungwon; Teets, Thomas S.","Efficient near-infrared luminescence from bis-cyclometalated iridium(iii) complexes with rigid quinoline-derived ancillary ligands.","Chemical communications (Cambridge, England)","2020","56","62","8754","8757","10.1039/d0cc02745f","","","0.71073","MoKα","","0.0511","0.0377","","","0.086","0.092","","","","","","1.056","","","","has coordinates,has disorder","256005","2020-10-21","18:00:00",""
"7126691","11.6553","0.0005","17.7049","0.0007","21.3456","0.0009","90","","98.312","0.001","90","","4358.5","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Ir N3 O2 S2 -","- C52 H30 Ir N3 O2 S2 -","- C208 H120 Ir4 N12 O8 S8 -","4","1","","Lai, Po-Ni; Yoon, Sungwon; Teets, Thomas S.","Efficient near-infrared luminescence from bis-cyclometalated iridium(iii) complexes with rigid quinoline-derived ancillary ligands.","Chemical communications (Cambridge, England)","2020","56","62","8754","8757","10.1039/d0cc02745f","","","0.71073","MoKα","","0.0375","0.0294","","","0.0728","0.076","","","","","","1.027","","","","has coordinates","256005","2020-10-21","18:00:00",""
"7126692","23.678","0.0005","11.5222","0.0002","26.8116","0.0006","90","","113.661","0.001","90","","6699.9","0.2","170","2","170.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br F3 N3 -","- C18 H13 Br F3 N3 -","- C288 H208 Br16 F48 N48 -","16","4","","Li, Deng-Yuan; Chen, Jia-Yan; Feng, Da-Fu; Chen, Shuang; Xu, Xian-Kuan; Dang, Li; Liu, Pei-Nian","Construction of multiple bonds via a domino reaction of trifluoroacetimidoyl nitriles with in situ generated bis-nucleophiles.","Chemical communications (Cambridge, England)","2020","56","59","8222","8225","10.1039/d0cc02398a","","","1.34139","GaKα","","0.1058","0.0566","","","0.1043","0.1248","","","","","","1.01","","","","has coordinates","254910","2020-10-21","18:00:00",""
"7126693","18.477","0.003","17.976","0.003","17.533","0.003","90","","117.21","0.02","90","","5179","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H23 Li2 N5 O18 Zn2 -","- C40 H18 Li2 N5 O18 Zn2 -","- C160 H72 Li8 N20 O72 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Barsukova, Marina O.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exceptionally effective benzene/cyclohexane separation using a nitro-decorated metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","59","8241","8244","10.1039/d0cc03227a","","","0.79312","synchrotron","","0.0958","0.087","","","0.2617","0.2702","","","","","","1.04","","","","has coordinates,has disorder","254903","2020-10-21","18:00:00",""
"7126694","4.1678","0.0004","10.6544","0.0009","14.6694","0.0012","73.012","0.007","84.892","0.007","78.774","0.008","610.7","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 I N3 O -","- C12 H12 I N3 O -","- C24 H24 I2 N6 O2 -","2","1","","Leggott, Abbie; Clarke, Justin E.; Chow, Shiao; Warriner, Stuart L.; O'Neill, Alex J; Nelson, Adam","Activity-directed expansion of a series of antibacterial agents.","Chemical communications (Cambridge, England)","2020","56","58","8047","8050","10.1039/d0cc02361b","","x-ray","1.54184","CuKα","","0.0337","0.0329","","","0.0868","0.088","","","","","","1.093","","","","has coordinates","254869","2020-10-21","18:00:00",""
"7126695","23.6941","0.0005","10.0307","0.0003","15.1078","0.0004","90","","93.655","0.002","90","","3583.34","0.16","99.95","0.1","99.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H49 Cl N2 P2 -","- C42 H49 Cl N2 P2 -","- C168 H196 Cl4 N8 P8 -","4","0.5","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54184","CuKα","","0.0384","0.0344","","","0.0893","0.0927","","","","","","1.061","","","","has coordinates,has disorder","254866","2020-10-21","18:00:00",""
"7126696","10.2163","0.0004","32.6718","0.0011","10.7854","0.0005","90","","108.952","0.005","90","","3404.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cl3 In N2 P2 -","- C35 H40 Cl3 In N2 P2 -","- C140 H160 Cl12 In4 N8 P8 -","4","1","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","","1.54184","CuKα","","0.0605","0.0537","","","0.1546","0.1595","","","","","","1.113","","","","has coordinates,has disorder","254866","2020-10-21","18:00:00",""
"7126697","15.26","0.002","9.5382","0.0011","20.529","0.003","90","","94.766","0.013","90","","2977.7","0.7","99.8","0.2","99.8","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 N2 P2 -","- C35 H40 N2 P2 -","- C140 H160 N8 P8 -","4","0.5","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54178","CuKα","","0.0666","0.0618","","","0.1493","0.1517","","","","","","1.132","","","","has coordinates,has disorder","254866","2020-10-21","18:00:00",""
"7126698","10.22942","0.00016","18.88","0.0003","17.9216","0.0002","90","","104.045","0.0014","90","","3357.76","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl3 Ga N2 P2 -","- C35 H40 Cl3 Ga N2 P2 -","- C140 H160 Cl12 Ga4 N8 P8 -","4","1","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54184","CuKα","","0.0342","0.0325","","","0.0866","0.0879","","","","","","1.046","","","","has coordinates","254866","2020-10-21","18:00:00",""
"7126699","10.1005","0.0001","18.2003","0.0002","18.2051","0.0002","90","","96.883","0.001","90","","3322.56","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl2 N2 P2 Zn -","- C35 H40 Cl2 N2 P2 Zn -","- C140 H160 Cl8 N8 P8 Zn4 -","4","1","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","","1.54184","CuKα","","0.0332","0.0298","","","0.0788","0.0805","","","","","","1.09","","","","has coordinates","254866","2020-10-21","18:00:00",""
"7126700","14.0618","0.0002","16.9278","0.0003","19.7394","0.0003","88.863","0.001","89.772","0.001","77.86","0.001","4592.69","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H94 N4 O6 P4 Rh2 -","- C82 H94 N4 O6 P4 Rh2 -","- C164 H188 N8 O12 P8 Rh4 -","2","1","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54184","CuKα","","0.045","0.042","","","0.1172","0.1198","","","","","","1.054","","","","has coordinates","254866","2020-10-21","18:00:00",""
"7126701","9.2495","0.0003","10.7934","0.0004","35.831","0.0011","90","","90","","90","","3577.1","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 F12 N5 O2 Os P2 -","- C36 H29 F12 N5 O2 Os P2 -","- C144 H116 F48 N20 O8 Os4 P8 -","4","1","","Wang, Guanghui; Zhou, Zijun; Shen, Xiang; Ivlev, Sergei; Meggers, Eric","Asymmetric catalysis with a chiral-at-osmium complex.","Chemical communications (Cambridge, England)","2020","56","56","7714","7717","10.1039/d0cc03280h","","","0.71073","MoKα","","0.0491","0.0411","","","0.0674","0.0692","","","","","","1.108","","","","has coordinates,has disorder","254875","2020-10-21","18:00:00",""
"7126702","14.2056","0.0008","15.5349","0.0009","16.0807","0.0009","70.816","0.002","78.674","0.002","76.497","0.002","3231.2","0.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C29 H23 F12 N5 O Os P2 -","- C29 H23 F12 N5 O Os P2 -","- C116 H92 F48 N20 O4 Os4 P8 -","4","4","","Wang, Guanghui; Zhou, Zijun; Shen, Xiang; Ivlev, Sergei; Meggers, Eric","Asymmetric catalysis with a chiral-at-osmium complex.","Chemical communications (Cambridge, England)","2020","56","56","7714","7717","10.1039/d0cc03280h","","","0.71073","MoKα","","0.0677","0.0476","","","0.0831","0.0886","","","","","","1.029","","","","has coordinates","254875","2020-10-21","18:00:00",""
"7126703","11.2073","0.0007","9.594","0.0012","11.9682","0.0008","90","","98.963","0.004","90","","1271.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl Fe2 N3 O2 -","- C58 H54 Cl2 Fe4 N6 O4 -","- C116 H108 Cl4 Fe8 N12 O8 -","2","0.5","","Sarkar, Tukki; Bhattacharyya, Arnab; Banerjee, Samya; Hussain, Akhtar","LMCT transition-based red-light photochemotherapy using a tumour-selective ferrocenyl iron(iii) coumarin conjugate.","Chemical communications (Cambridge, England)","2020","56","57","7981","7984","10.1039/d0cc03240a","","","0.71073","MoKα","","0.0825","0.0423","","","0.1026","0.12","","","","","","1.012","","","","has coordinates","254887","2020-10-21","18:00:00",""
"7126704","24.6057","0.0016","25.5361","0.0014","29.3687","0.0017","90","","90","","90","","18453.3","1.9","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C183 H285 Br6 Cl3 O20 -","- C183 H285 Br6 Cl3 O20 -","- C732 H1140 Br24 Cl12 O80 -","4","1","","Nagata, Yuuya; Suzuki, Misaki; Shimada, Yasuo; Sengoku, Hiroki; Nishida, Shungo; Kakuta, Takahiro; Yamagishi, Tada-Aki; Suginome, Michinori; Ogoshi, Tomoki","Holding of planar chirality of pillar[5]arene by kinetic trapping using host-guest interactions with achiral guest solvents.","Chemical communications (Cambridge, England)","2020","56","60","8424","8427","10.1039/d0cc03413d","","","0.71075","MoKα","","0.4349","0.1261","","","0.2118","0.319","","","","","","0.924","","","","has coordinates,has disorder","254895","2020-10-21","18:00:00",""
"7126705","15.581","0.003","22.162","0.004","23.828","0.004","90","","90","","90","","8228","3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C86 H132 Cl2 O10 -","- C86 H132 Cl2 O10 -","- C344 H528 Cl8 O40 -","4","1","","Nagata, Yuuya; Suzuki, Misaki; Shimada, Yasuo; Sengoku, Hiroki; Nishida, Shungo; Kakuta, Takahiro; Yamagishi, Tada-Aki; Suginome, Michinori; Ogoshi, Tomoki","Holding of planar chirality of pillar[5]arene by kinetic trapping using host-guest interactions with achiral guest solvents.","Chemical communications (Cambridge, England)","2020","56","60","8424","8427","10.1039/d0cc03413d","","","0.71075","MoKα","","0.3772","0.1583","","","0.2655","0.3425","","","","","","1.15","","","","has coordinates,has disorder","254895","2020-10-21","18:00:00",""
"7126706","74.1412","0.0003","74.1412","0.0003","74.1412","0.0003","90","","90","","90","","407548","3","77","","77","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","T3-SnOS-MTN","","- H8 O8 S16 Sn10 -","- H8.94099 O8 S16 Sn10 -","- H1215.97 O1088 S2176 Sn1360 -","136","0.708333","","Luo, Ming-Bu; Huang, Shan-Lin; Lai, Heng-Dong; Zhang, Jian; Lin, Qipu","Tin-oxychalcogenide supertetrahedral clusters maintained in a MTN zeolite-analog arrangement by coulombic interactions.","Chemical communications (Cambridge, England)","2020","56","60","8388","8391","10.1039/d0cc02909b","","","1.3405","GaKα","","0.0687","0.0597","","","0.206","0.2187","","","","","","1.077","","","","has coordinates","254893","2020-10-21","18:00:00",""
"7126707","9.3092","0.0013","9.8441","0.0014","10.1956","0.0014","63.563","0.014","71.551","0.013","73.22","0.012","781.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N6 O8 -","- C12 H16 N6 O8 -","- C24 H32 N12 O16 -","2","1","","Zhou, Bo; Zhao, Qihang; Tang, Longchang; Yan, Dongpeng","Tunable room temperature phosphorescence and energy transfer in ratiometric co-crystals.","Chemical communications (Cambridge, England)","2020","56","56","7698","7701","10.1039/d0cc02730h","","x-ray","0.71073","MoKα","","0.1162","0.066","","","0.1267","0.1516","","","","","","1.055","","","","has coordinates","254874","2020-10-21","18:00:00",""
"7126708","9.4813","0.0008","11.8746","0.001","14.6779","0.0013","72.186","0.007","82.829","0.007","81.819","0.007","1551.5","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N12 O16 -","- C24 H32 N12 O16 -","- C48 H64 N24 O32 -","2","1","","Zhou, Bo; Zhao, Qihang; Tang, Longchang; Yan, Dongpeng","Tunable room temperature phosphorescence and energy transfer in ratiometric co-crystals.","Chemical communications (Cambridge, England)","2020","56","56","7698","7701","10.1039/d0cc02730h","","x-ray","0.71073","MoKα","","0.1084","0.0607","","","0.1229","0.1489","","","","","","1.023","","","","has coordinates","254874","2020-10-21","18:00:00",""
"7126709","8.8523","0.0015","9.551","0.002","16.927","0.004","81.918","0.004","78.36","0.004","64.955","0.006","1267.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Cl N O Si2 -","- C25 H34 Cl N O Si2 -","- C50 H68 Cl2 N2 O2 Si4 -","2","1","","Ji, Xiaoming; Wei, Feng; Wan, Bin; Cheng, Cang; Zhang, Yanghui","Palladium-catalyzed intermolecular C-H silylation initiated by aminopalladation.","Chemical communications (Cambridge, England)","2020","56","56","7801","7804","10.1039/d0cc00872a","","","1.54178","CuKα","","0.0422","0.0377","","","0.0975","0.1029","","","","","","1.024","","","","has coordinates","254876","2020-10-21","18:00:00",""
"7126710","5.865","0.002","14.967","0.005","14.978","0.005","72.081","0.01","82.356","0.012","84.576","0.012","1237.9","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","2","","An, Juzeng; Pedrazzani, Riccardo; Monari, Magda; Marin-Luna, Marta; Lopez, Carlos Silva; Bandini, Marco","Site-selective synthesis of 1,3-dioxin-3-ones via a gold(i) catalyzed cascade reaction.","Chemical communications (Cambridge, England)","2020","56","56","7734","7737","10.1039/d0cc02703k","","","1.54178","CuKα","","0.1277","0.1123","","","0.2647","0.2837","","","","","","1.24","","","","has coordinates","254873","2020-10-21","18:00:00",""
"7126711","19.276","0.007","15.481","0.006","20.6","0.008","90","","101.414","0.011","90","","6026","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3a","","- C31.5 H43 Co O -","- C31.5 H43 Co O -","- C252 H344 Co8 O8 -","8","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.1766","0.1046","","","0.2671","0.2958","","","","","","0.976","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126712","12.0917","0.0007","13.2206","0.0007","18.3083","0.001","83.843","0.003","74.551","0.003","73.23","0.003","2699.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3","","- C63 H86 Co2 O2 -","- C63 H86 Co2 O2 -","- C126 H172 Co4 O4 -","2","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.0507","0.0335","","","0.0717","0.078","","","","","","1.023","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126713","14.6058","0.0007","14.6784","0.0007","30.7441","0.0013","90","","90","","90","","6591.2","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","6","","- C42 H48 Co N -","- C42 H48 Co N -","- C336 H384 Co8 N8 -","8","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.0978","0.0474","","","0.0984","0.1189","","","","","","0.962","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126714","12.0255","0.0006","13.8796","0.0007","21.0959","0.001","98.389","0.003","99.02","0.003","113.189","0.003","3111.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5","","- C72 H72 Co2 N8 -","- C72 H72 Co2 N8 -","- C144 H144 Co4 N16 -","2","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.1138","0.0505","","","0.0924","0.1109","","","","","","1","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126715","10.9214","0.0004","10.9343","0.0003","20.6594","0.0006","98.174","0.002","90.822","0.002","102.662","0.002","2380","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 N4 O25 -","- C40 H60 N4 O25 -","- C80 H120 N8 O50 -","2","1","","Kravets, Mykola; Sobczak, Grzegorz; Rad, Nazar; Misztalewska-Turkowicz, Iwona; Danylyuk, Oksana; Sashuk, Volodymyr","Visual discrimination of aromatic acid substitution patterns by supramolecular nanocooperativity.","Chemical communications (Cambridge, England)","2020","56","61","8595","8598","10.1039/d0cc03633a","","","1.54184","CuKα","","0.0469","0.044","","","0.1179","0.1201","","","","","","1.034","","","","has coordinates,has disorder","254926","2020-10-21","18:00:00",""
"7126716","7.6587","0.0006","11.0602","0.0008","12.3929","0.0008","87.763","0.005","74.272","0.006","87.728","0.006","1009.23","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C48 H40 N4 O8 -","2","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0909","0.0523","","","0.1004","0.1194","","","","","","1.0487","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126717","26.6432","0.001","6.8628","0.0005","7.9989","0.0003","90","","90","","90","","1462.57","0.13","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H16 B N2 O2.25 -","- C14 H16 B N2 O2.25 -","- C56 H64 B4 N8 O9 -","4","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0968","0.0749","","","0.1924","0.2123","","","","","","1.052","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126718","9.3959","0.0012","15.9579","0.0018","19.8503","0.0014","104.367","0.008","101.254","0.008","97.571","0.01","2776.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C118.5 H84 F48 Mg N8 O3.5 -","- C96 H34 F47.9994 Mg N8 O -","- C96 H34 F47.9994 Mg N8 O -","1","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","1.54184","CuKα","","0.1428","0.0852","","","0.226","0.2732","","","","","","0.962","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126719","8.953","0.0012","11.442","0.0014","15.907","0.002","105.674","0.004","90.147","0.004","102.422","0.004","1529","0.3","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H44 N2 -","- C36 H44 N2 -","- C72 H88 N4 -","2","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.1265","0.0622","","","0.1185","0.1418","","","","","","1.008","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126720","19.5182","0.0008","19.5876","0.0009","22.5521","0.0009","99.467","0.003","111.596","0.002","95.906","0.002","7781","0.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C288 H354 N16 O Zn2 -","- C288 H354 N16 O Zn2 -","- C288 H354 N16 O Zn2 -","1","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","","1.54178","CuKα","","0.2863","0.1402","","","0.3666","0.4498","","","","","","0.993","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126721","13.6361","0.0009","11.8505","0.0008","13.0118","0.0008","90","","92.2","0.002","90","","2101.1","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 B2 N2 O4 -","- C20 H26 B2 N2 O4 -","- C80 H104 B8 N8 O16 -","4","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0667","0.0488","","","0.1127","0.1237","","","","","","1.0539","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126722","26.32","0.0012","8.4133","0.0004","22.4036","0.001","90","","95.7836","0.0014","90","","4935.8","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 F12 N2 -","- C24 H8 F12 N2 -","- C192 H64 F96 N16 -","8","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0626","0.0474","","","0.1128","0.1225","","","","","","1.033","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126723","9.8387","0.0006","15.9659","0.0011","19.707","0.0013","104.067","0.0018","102.217","0.0017","94.6532","0.0019","2906","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H65 F48 N14.6 O0.5 Zn -","- C129 H65 F48 N14.6 O0.5 Zn -","- C129 H65 F48 N14.6 O0.5 Zn -","1","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.1163","0.0718","","","0.1728","0.2016","","","","","","1.018","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126724","9.6454","0.0004","10.4111","0.0007","11.3573","0.0005","75.236","0.005","81.627","0.004","67.452","0.005","1017.07","0.1","123","2","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Song, Haibin; Wang, Qingmin","Visible-light-induced dearomative oxamination of indole derivatives and dearomative amidation of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","60","8436","8439","10.1039/d0cc03506h","","x-ray","0.71073","MoKα","","0.0461","0.0414","","","0.108","0.1135","","","","","","0.997","","","","has coordinates","254896","2020-10-21","18:00:00",""
"7126725","12.121","0.004","12.121","0.004","23.73","0.006","90","","90","","90","","3486.4","1.9","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C76 H44 Cu4 N4 O17 -","- C76 H44 Cu4 N4 O17 -","- C152 H88 Cu8 N8 O34 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.1854","0.1521","","","0.4101","0.4514","","","","","","1.792","","","","has coordinates,has disorder","255955","2020-10-21","18:00:00",""
"7126726","12.989","0.0011","12.989","0.0011","23.881","0.002","90","","90","","90","","4029.1","0.6","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C84 H56 Cr4 O19 -","- C84 H56 Cr4 O19 -","- C168 H112 Cr8 O38 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.1742","0.1447","","","0.414","0.4604","","","","","","2.033","","","","has coordinates","255955","2020-10-21","18:00:00",""
"7126727","12.859","0.0004","12.859","0.0004","23.9559","0.0008","90","","90","","90","","3961.2","0.2","200","2","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C90 H70 Cu4 N2 O19 -","- C90 H70 Cu4 N2 O19 -","- C180 H140 Cu8 N4 O38 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.0863","0.0739","","","0.2047","0.2346","","","","","","1.083","","","","has coordinates,has disorder","255955","2020-10-21","18:00:00",""
"7126728","12.8297","0.0007","26.2957","0.0015","27.2919","0.0013","90","","101.794","0.002","90","","9013","0.8","175","2","175","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C170 H112 Cl Mo8 O35 -","- C170 H112 Cl Mo8 O35 -","- C340 H224 Cl2 Mo16 O70 -","2","0.25","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54184","CuKα","","0.0712","0.0523","","","0.1285","0.1398","","","","","","1.054","","","","has coordinates","255955","2020-10-21","18:00:00",""
"7126729","15.0044","0.0008","8.2203","0.0003","19.4734","0.001","90","","108.91","0.005","90","","2272.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 F3 N O2 -","- C24 H16 F3 N O2 -","- C96 H64 F12 N4 O8 -","4","1","","Yuan, Hairui; Du, Yuanbo; Liu, Fengting; Guo, Lirong; Sun, Qianyu; Feng, Lei; Gao, Hongyin","Tandem approach to NOBIN analogues from arylhydroxylamines and diaryliodonium salts via [3,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2020","56","59","8226","8229","10.1039/d0cc02919j","","x-ray","1.54184","CuKα","","0.0843","0.0666","","","0.1903","0.2101","","","","","","1.055","","","","has coordinates","254908","2020-10-21","18:00:00",""
"7126730","8.9805","0.0001","11.7542","0.0002","18.4054","0.0003","90","","90","","90","","1942.85","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br2 N O2 -","- C23 H15 Br2 N O2 -","- C92 H60 Br8 N4 O8 -","4","1","","Yuan, Hairui; Du, Yuanbo; Liu, Fengting; Guo, Lirong; Sun, Qianyu; Feng, Lei; Gao, Hongyin","Tandem approach to NOBIN analogues from arylhydroxylamines and diaryliodonium salts via [3,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2020","56","59","8226","8229","10.1039/d0cc02919j","","x-ray","1.54184","CuKα","","0.0379","0.0313","","","0.0735","0.0832","","","","","","1.062","","","","has coordinates","254908","2020-10-21","18:00:00",""
"7126731","34.285","0.007","5.934","0.0012","39.22","0.018","90","","104.56","0.03","90","","7723","4","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C216 H131.2 Ag24 O53.6 -","- C216 H120 Ag24 O53.6128 -","- C216 H120 Ag24 O53.6128 -","1","0.125","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.7","synchrotron","","0.1264","0.0768","","","0.2134","0.2533","","","","","","0.905","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126732","33.95","0.007","6.002","0.0012","39.546","0.018","90","","105.22","0.03","90","","7776","4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C279.89 H171.11 Ag24 N12.78 O48 -","- C279.888 H171.11 Ag24 N12.7776 O48 -","- C279.888 H171.11 Ag24 N12.7776 O48 -","1","0.125","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.65","synchrotron","","0.0545","0.0442","","","0.1321","0.1386","","","","","","1.07","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126733","34.592","0.007","6.257","0.0013","35.505","0.018","90","","107.21","0.03","90","","7341","4","296","2","296","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C252.21 H144.14 Ag24 N6.04 O48 -","- C252.209 H144.139 Ag24 N6.0348 O48 -","- C252.209 H144.139 Ag24 N6.0348 O48 -","1","0.25","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.7","synchrotron","","0.0739","0.0519","","","0.142","0.1557","","","","","","0.982","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126734","34.512","0.007","5.9589","0.0012","38.939","0.019","90","","104.48","0.03","90","","7754","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C251.75 H143.83 Ag24 N17.87 O48 -","- C251.746 H143.83 Ag24 N17.8728 O48 -","- C251.746 H143.83 Ag24 N17.8728 O48 -","1","0.25","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.71073","MoKα","","0.267","0.1703","","","0.3946","0.4501","","","","","","1.246","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126735","15.4937","0.0009","9.734","0.0006","12.9942","0.0013","90","","119.954","0.002","90","","1698","0.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H40 Fe N2 O P2 -","- C42 H40 Fe N2 O P2 -","- C84 H80 Fe2 N4 O2 P4 -","2","0.5","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0337","0.0269","","","0.0503","0.0525","","","","","","1.044","","","","has coordinates","254929","2020-10-21","18:00:00",""
"7126736","14.1841","0.0008","14.9374","0.0009","23.6074","0.0014","104.204","0.002","92.996","0.002","105.812","0.002","4627.2","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H76 B4 Fe2 N4 P4 -","- C76 H76 B4 Fe2 N4 P4 -","- C152 H152 B8 Fe4 N8 P8 -","2","1","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0755","0.0654","","","0.1865","0.1956","","","","","","1.08","","","","has coordinates","254929","2020-10-21","18:00:00",""
"7126737","11.7019","0.0008","14.3131","0.001","19.1169","0.0014","83.392","0.002","73.967","0.002","72.76","0.002","2937.2","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H58 B2 Fe N2 O4 P2 -","- C50 H58 B2 Fe N2 O4 P2 -","- C100 H116 B4 Fe2 N4 O8 P4 -","2","1","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0781","0.0589","","","0.1716","0.1836","","","","","","1.042","","","","has coordinates","254929","2020-10-21","18:00:00",""
"7126738","17.3592","0.0013","16.4666","0.0012","14.4482","0.0011","90","","106.046","0.003","90","","3969.1","0.5","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C47 H47 Fe N2 P3 -","- C47 H47 Fe N2 P3 -","- C188 H188 Fe4 N8 P12 -","4","2","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0497","0.0448","","","0.1123","0.1152","","","","","","1.084","","","","has coordinates,has disorder","254929","2020-10-21","18:00:00",""
"7126739","13.0892","0.0004","13.0889","0.0004","13.2528","0.0004","90","","90","","90","","2270.51","0.12","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- Be4 Cs4 Li O24 P7 -","- Be4 Cs4 Li O24 P7 -","- Be16 Cs16 Li4 O96 P28 -","4","1","","Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming","M<sub>4</sub>LiBe<sub>4</sub>P<sub>7</sub>O<sub>24</sub> and M<sub>4</sub>Li(Li<sub>3</sub>P)P<sub>7</sub>O<sub>24</sub> (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.","Chemical communications (Cambridge, England)","2020","56","61","8639","8642","10.1039/d0cc03159c","","","0.71073","MoKα","","0.0314","0.027","","","0.052","0.0542","","","","","","0.933","","","","has coordinates","254927","2020-10-21","18:00:00",""
"7126740","12.8805","0.0004","12.9118","0.0004","12.9447","0.0004","90","","90","","90","","2152.84","0.12","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- Be4 Li O24 P7 Rb4 -","- Be4 Li O24 P7 Rb4 -","- Be16 Li4 O96 P28 Rb16 -","4","1","","Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming","M<sub>4</sub>LiBe<sub>4</sub>P<sub>7</sub>O<sub>24</sub> and M<sub>4</sub>Li(Li<sub>3</sub>P)P<sub>7</sub>O<sub>24</sub> (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.","Chemical communications (Cambridge, England)","2020","56","61","8639","8642","10.1039/d0cc03159c","","","0.71073","MoKα","","0.0362","0.0266","","","0.05","0.0524","","","","","","1.049","","","","has coordinates","254927","2020-10-21","18:00:00",""
"7126741","10.4171","0.0006","10.7634","0.0005","11.4213","0.0007","100.44","0.004","108.085","0.005","94.085","0.004","1185.99","0.12","120","0.13","120","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Ag F6 N4 P -","- C21 H28 Ag F6 N4 P -","- C42 H56 Ag2 F12 N8 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","0.71073","MoKα","","0.0612","0.0431","","","0.0899","0.0996","","","","","","1.039","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126742","8.6651","0.0013","10.6439","0.0013","11.578","0.0016","90.059","0.007","109.119","0.006","113.062","0.007","918","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Ag F6 N4 P -","- C14 H20 Ag F6 N4 P -","- C28 H40 Ag2 F12 N8 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.094","0.0628","","","0.1217","0.1387","","","","","","1.052","","","","has coordinates","254897","2020-10-21","18:00:00",""
"7126743","8.4968","0.0008","9.1809","0.0011","10.9655","0.0014","72.296","0.005","71.948","0.007","73.418","0.007","757.33","0.16","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Ag F6 N2 P -","- C12 H14 Ag F6 N2 P -","- C24 H28 Ag2 F12 N4 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.0968","0.0627","","","0.1463","0.1631","","","","","","1.035","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126744","7.8394","0.0005","14.2529","0.0008","14.6397","0.0008","90","","100.629","0.003","90","","1607.69","0.16","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Ag F6 N3 P -","- C12 H15 Ag F6 N3 P -","- C48 H60 Ag4 F24 N12 P4 -","4","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.1163","0.0912","","","0.1889","0.2015","","","","","","1.138","","","","has coordinates","254897","2020-10-21","18:00:00",""
"7126745","8.0602","0.0002","19.5517","0.0003","10.8483","0.0002","90","","90.69","0.001","90","","1709.47","0.06","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag F6 N2 P -","- C14 H18 Ag F6 N2 P -","- C56 H72 Ag4 F24 N8 P4 -","4","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.0331","0.0281","","","0.0636","0.066","","","","","","1.031","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126746","22.793","0.003","10.3913","0.0009","8.4476","0.0005","90","","91.168","0.008","90","","2000.4","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C12.5 H16 Cl F6 I N3 P -","- C12.5 H16 Cl F6 I N3 P -","- C50 H64 Cl4 F24 I4 N12 P4 -","4","0.5","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","1.54184","CuKα","","0.1115","0.1024","","","0.2805","0.2952","","","","","","1.253","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126747","7.7214","0.0006","10.584","0.0008","14.3078","0.0015","109.04","0.008","90.185","0.007","90.561","0.007","1105.23","0.17","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag Cl2 F6 N4 P -","- C16 H24 Ag Cl2 F6 N4 P -","- C32 H48 Ag2 Cl4 F12 N8 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","0.71073","MoKα","","0.0879","0.0729","","","0.1921","0.2082","","","","","","1.035","","","","has coordinates","254897","2020-10-21","18:00:00",""
"7126748","9.9904","0.0003","10.3032","0.0002","11.832","0.0004","90","","114.588","0.004","90","","1107.47","0.06","120","0.1","120","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H22 Cl2 F6 I N4 P -","- C15 H22 Cl2 F6 I N4 P -","- C30 H44 Cl4 F12 I2 N8 P2 -","2","0.5","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","0.71073","MoKα","","0.0393","0.0312","","","0.0637","0.0702","","","","","","1.043","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126749","31.0847","0.0014","31.0847","0.0014","7.6891","0.0005","90","","90","","90","","7429.7","0.7","292.59","0.1","292.59","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H10 Br F5 O S -","- C20 H10 Br F5 O S -","- C320 H160 Br16 F80 O16 S16 -","16","1","","Chu, Xue-Qiang; Xie, Ting; Wang, Ya-Wen; Li, Xiang-Rui; Rao, Weidong; Xu, Haiyan; Shen, Zhi-Liang","Synthesis of di(hetero)aryl sulfides by defluorinative sulfenylation of polyfluoroalkyl ketones with sodium sulfinates or arylsulfonyl chlorides.","Chemical communications (Cambridge, England)","2020","56","61","8699","8702","10.1039/d0cc03303k","","","1.54184","CuKα","","0.1168","0.0973","","","0.2749","0.3106","","","","","","1.071","","","","has coordinates","254921","2020-10-21","18:00:00",""
"7126750","9.8802","0.0004","10.6122","0.0004","13.9723","0.0005","90","","90","","90","","1465","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F3 O3 S -","- C14 H13 F3 O3 S -","- C56 H52 F12 O12 S4 -","4","1","","Li, Maizhan; Zhou, Wei","Highly enantioselective [3+2] cycloadditions of terminal allenoates with β-trifluoromethyl α,β-enones.","Chemical communications (Cambridge, England)","2020","56","62","8842","8845","10.1039/d0cc02876b","","","0.71073","MoKα","","0.0465","0.0432","","","0.1219","0.1257","","","","","","1.074","","","","has coordinates","255997","2020-10-21","18:00:00",""
"7126751","10.379","0.003","9.789","0.002","14.974","0.004","90","","105.172","0.004","90","","1468.3","0.7","203","","203","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 Si2 -","- C34 H34 N4 Si2 -","- C68 H68 N8 Si4 -","2","0.5","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.71075","MoKα","","0.0632","0.051","","","0.1245","0.1322","","","","","","1.058","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126752","11.583","0.003","14.712","0.004","23.855","0.007","90","","98.977","0.004","90","","4015.3","1.9","198","","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 N6 Ni Si2 -","- C43 H50 N6 Ni Si2 -","- C172 H200 N24 Ni4 Si8 -","4","1","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.71075","MoKα","","0.1274","0.0755","","","0.16","0.1858","","","","","","1.052","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126753","20.04","0.03","23.534","0.016","12.734","0.017","90","","126.46","0.03","90","","4830","10","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 N6 Pd2 Si2 -","- C44 H52 N6 Pd2 Si2 -","- C176 H208 N24 Pd8 Si8 -","4","0.5","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.4117","synchrotron","","0.0253","0.0211","","","0.0529","0.0544","","","","","","1.039","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126754","17.514","0.003","11.9262","0.0017","23.97","0.004","90","","90","","90","","5006.7","1.4","203","","203","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H66 N8 Ni Si2 -","- C52 H66 N8 Ni Si2 -","- C208 H264 N32 Ni4 Si8 -","4","0.5","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.71075","MoKα","","0.108","0.0629","","","0.1611","0.1904","","","","","","0.999","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126755","11.189","0.004","11.495","0.005","11.892","0.005","104.709","0.007","98.483","0.007","101.948","0.007","1414.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Cl6 Cu N10 O14 -","- C58 H42 Cl6 Cu N10 O14 -","- C58 H42 Cl6 Cu N10 O14 -","1","0.5","","Fuku, Kentaro; Miyata, Momoka; Takaishi, Shinya; Yoshida, Takefumi; Yamashita, Masahiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Ohtsu, Hiroyoshi; Kawano, Masaki; Iguchi, Hiroaki","Emergence of electrical conductivity in a flexible coordination polymer by using chemical reduction.","Chemical communications (Cambridge, England)","2020","56","61","8619","8622","10.1039/d0cc03062g","","","0.71073","MoKα","","0.101","0.0686","","","0.1942","0.2148","","","","","","1.051","","","","has coordinates,has disorder","254922","2020-10-21","18:00:00",""
"7126756","17.643","0.0005","8.5349","0.0003","15.3612","0.0005","90","","95.447","0.001","90","","2302.66","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 B N2 O -","- C30 H25 B N2 O -","- C120 H100 B4 N8 O4 -","4","1","","Zu, Weisai; Day, Craig; Wei, Lanfeng; Jia, Xin; Xu, Liang","Dual aminoquinolate diarylboron and nickel catalysed metallaphotoredox platform for carbon-oxygen bond construction.","Chemical communications (Cambridge, England)","2020","56","59","8273","8276","10.1039/d0cc03230a","","","0.71073","MoKα","","0.0554","0.0427","","","0.0934","0.1016","","","","","","1.058","","","","has coordinates","254905","2020-10-21","18:00:00",""
"7126757","14.9127","0.0005","8.7466","0.0003","14.9471","0.0005","90","","96.386","0.002","90","","1937.53","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1698 Fe(SN-Ph)Br2","","","- C17 H15 Br2 Fe N2 P S -","- C17 H15 Br2 Fe N2 P S -","- C68 H60 Br8 Fe4 N8 P4 S4 -","4","1","","Xu, Man-Man; Jia, Tong-Tong; Li, Bingjie; Ma, Wang; Chen, Xiaoyuan; Zhao, Xueli; Zang, Shuang-Quan","Tuning the properties of atomically precise gold nanoclusters for biolabeling and drug delivery.","Chemical communications (Cambridge, England)","2020","56","62","8766","8769","10.1039/d0cc03498c","","","0.71073","MoKα","","0.0192","0.0163","","","0.04","0.0409","","","","","","1.053","","","","has coordinates","256001","2020-10-21","18:00:00",""
"7126758","34","0.004","21.258","0.003","37.58","0.004","90","","104.305","0.003","90","","26320","6","190","1","190","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cluster-2","","- C178 H162 N8 Nd14 O82 -","- C178 H162 N8 Nd14 O82 -","- C712 H648 N32 Nd56 O328 -","4","0.5","","Shi, Dongliang; Yang, Xiaoping; Ma, Yanan; Niu, Mengyu; Jones, Richard A.","Construction of 14-metal lanthanide nanorings with NIR luminescence response to ions.","Chemical communications (Cambridge, England)","2020","56","61","8651","8654","10.1039/d0cc04242k","","","0.71073","MoKα","","0.0791","0.062","","","0.1716","0.1805","","","","","","1.057","","","","has coordinates","254928","2020-10-21","18:00:00",""
"7126759","33.9","0.006","21.086","0.003","37.72","0.006","90","","104.641","0.003","90","","26087","7","190","1","190","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C178 H162 Gd14 N8 O82 -","- C178 H162 Gd14 N8 O82 -","- C712 H648 Gd56 N32 O328 -","4","0.5","","Shi, Dongliang; Yang, Xiaoping; Ma, Yanan; Niu, Mengyu; Jones, Richard A.","Construction of 14-metal lanthanide nanorings with NIR luminescence response to ions.","Chemical communications (Cambridge, England)","2020","56","61","8651","8654","10.1039/d0cc04242k","","","0.71073","MoKα","","0.1311","0.0902","","","0.1866","0.2264","","","","","","1.086","","","","has coordinates","254928","2020-10-21","18:00:00",""
"7126760","10.7471","0.0001","10.0653","0.0001","50.8287","0.0005","90","","94.389","0.001","90","","5482.16","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","TPAAZ","","- C36 H19 N7 -","- C36 H19 N7 -","- C288 H152 N56 -","8","2","","Liang, Qingxin; Xu, Jingyi; Xue, Jie; Qiao, Juan","Near-infrared-II thermally activated delayed fluorescence organic light-emitting diodes.","Chemical communications (Cambridge, England)","2020","56","63","8988","8991","10.1039/d0cc02695f","","x-ray","1.54184","CuKα","","0.0522","0.0439","","","0.1059","0.1134","","","","","","1.047","","","","has coordinates","255950","2020-10-21","18:00:00",""
"7126761","12.8198","0.0001","12.8198","0.0001","27.9907","0.0005","90","","90","","120","","3983.89","0.08","85","2","85","2","","","","","","","","3","P 31 2 1","P 31 2""","152","(S,S,S)-SPIROL","(1S,3S,3'S)-3,3'-diethyl-3H,3'H-1,1'-spirobi[isobenzofuran]-7,7'-diol","","- C19 H20 O4 -","- C19 H20 O4 -","- C171 H180 O36 -","9","1.5","","Sun, Siyuan; Nagorny, Pavel","Exploration of chiral diastereomeric spiroketal (SPIROL)-based phosphinite ligands in asymmetric hydrogenation of heterocycles.","Chemical communications (Cambridge, England)","2020","56","60","8432","8435","10.1039/d0cc03088k","","","1.54184","CuKα","","0.0474","0.047","","","0.1248","0.1253","","","","","","1.062","","","","has coordinates","254899","2020-10-21","18:00:00",""
"7126762","15.9994","0.0014","13.4294","0.0012","15.3641","0.0013","90","","108.019","0.004","90","","3139.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 N O Zn2 -","- C33 H47 N O Zn2 -","- C132 H188 N4 O4 Zn8 -","4","1","","Li, Bin; Wölper, Christoph; Huse, Kevin; Schulz, Stephan","Intermediate snapshot on the insertion reaction of isocyanates into the Zn-Cp* bond of dizincocene Cp*<sub>2</sub>Zn<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","61","8643","8646","10.1039/d0cc03831h","","","0.71073","MoKα","","0.043","0.0352","","","0.0956","0.1","","","","","","1.054","","","","has coordinates","254923","2020-10-21","18:00:00",""
"7126763","9.0241","0.001","12.0224","0.0013","12.0743","0.0013","90","","110.467","0.005","90","","1227.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N O Zn2 -","- C25 H39 N O Zn2 -","- C50 H78 N2 O2 Zn4 -","2","0.5","","Li, Bin; Wölper, Christoph; Huse, Kevin; Schulz, Stephan","Intermediate snapshot on the insertion reaction of isocyanates into the Zn-Cp* bond of dizincocene Cp*<sub>2</sub>Zn<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","61","8643","8646","10.1039/d0cc03831h","","","0.71073","MoKα","","0.0374","0.0241","","","0.0611","0.0695","","","","","","1.082","","","","has coordinates","254923","2020-10-21","18:00:00",""
"7126764","25.661","0.002","13.0847","0.0013","12.5254","0.0012","90","","90","","90","","4205.6","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38.5 H33 Cl5 Fe2 N4 -","- C38.5 H33 Cl5 Fe2 N4 -","- C154 H132 Cl20 Fe8 N16 -","4","1","","Wang, Liang; Wang, Xiaowu; Hou, Hongbin; Zhu, Guangqian; Han, Zhenyu; Yang, Weiying; Chen, Xiao; Wang, Qinggang","An unsymmetrical binuclear iminopyridine-iron complex and its catalytic isoprene polymerization.","Chemical communications (Cambridge, England)","2020","56","62","8846","8849","10.1039/d0cc04122j","","","0.71073","MoKα","","0.1486","0.0868","","","0.198","0.2194","","","","","","1.099","","","","has coordinates,has disorder","256000","2020-10-21","18:00:00",""
"7126765","23.531","0.002","13.955","0.0011","15.0761","0.0013","90","","129.84","0.004","90","","3801.3","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl4 Fe2 N4 -","- C40 H36 Cl4 Fe2 N4 -","- C160 H144 Cl16 Fe8 N16 -","4","0.5","","Wang, Liang; Wang, Xiaowu; Hou, Hongbin; Zhu, Guangqian; Han, Zhenyu; Yang, Weiying; Chen, Xiao; Wang, Qinggang","An unsymmetrical binuclear iminopyridine-iron complex and its catalytic isoprene polymerization.","Chemical communications (Cambridge, England)","2020","56","62","8846","8849","10.1039/d0cc04122j","","","0.71073","MoKα","","0.1831","0.0903","","","0.1997","0.2307","","","","","","1.032","","","","has coordinates","256000","2020-10-21","18:00:00",""
"7126766","5.8696","0.0004","10.0626","0.0008","20.142","0.0016","90","","90","","90","","1189.66","0.16","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","1.54178","CuKα","","0.0417","0.0389","","","0.0918","0.0942","","","","","","1.114","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126767","5.339","0.004","15.845","0.01","23.929","0.014","90","","90","","90","","2024","2","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O2 -","- C21 H17 Cl O2 -","- C84 H68 Cl4 O8 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","0.71073","MoKα","","0.1358","0.0596","","","0.1183","0.1483","","","","","","0.942","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126768","5.6683","0.0008","12.265","0.0019","32.881","0.005","90","","90","","90","","2285.9","0.6","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","0.71073","MoKα","","0.1022","0.056","","","0.1153","0.131","","","","","","0.962","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126769","6.062","0.005","7.902","0.007","10.845","0.009","105.988","0.013","93.472","0.015","92.468","0.013","497.5","0.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H5 Br F2 O Se -","- C8 H5 Br F2 O Se -","- C16 H10 Br2 F4 O2 Se2 -","2","1","","Guo, Rui-Li; Zhu, Xue-Qing; Zhang, Xing-Long; Wang, Yong-Qiang","Synthesis of difluoromethylselenoesters from aldehydes via a radical process.","Chemical communications (Cambridge, England)","2020","56","63","8976","8979","10.1039/d0cc02912b","","","0.71073","MoKα","","0.088","0.0623","","","0.158","0.1755","","","","","","1.016","","","","has coordinates,has disorder","255949","2020-10-21","18:00:00",""
"7126770","8.167","0.003","9.361","0.004","12.114","0.005","97.388","0.006","97.162","0.007","106.374","0.006","868.5","0.6","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C4.5 H3.25 F0.5 O0.75 S0.25 Se0.25 -","- C4.5 H3.25 F0.5 O0.75 S0.25 Se0.25 -","- C36 H26 F4 O6 S2 Se2 -","8","4","","Guo, Rui-Li; Zhu, Xue-Qing; Zhang, Xing-Long; Wang, Yong-Qiang","Synthesis of difluoromethylselenoesters from aldehydes via a radical process.","Chemical communications (Cambridge, England)","2020","56","63","8976","8979","10.1039/d0cc02912b","","","0.71073","MoKα","","0.0604","0.0506","","","0.1465","0.1552","","","","","","1.05","","","","has coordinates","255949","2020-10-21","18:00:00",""
"7126771","12.5375","0.0003","21.6425","0.0006","18.0088","0.0005","90","","93.428","0.002","90","","4877.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 B2 F8 N4 O4 Zn -","- C42 H60 B2 F8 N4 O4 Zn -","- C168 H240 B8 F32 N16 O16 Zn4 -","4","1","","Marinova, Maya; Bonnefont, Antoine; Achard, Thierry; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane","Chiral stimuli-responsive metallo-supramolecular assembly induced by Cu<sup>II</sup>/Cu<sup>I</sup> redox change.","Chemical communications (Cambridge, England)","2020","56","61","8703","8706","10.1039/d0cc01716g","","","1.54178","CuKα","","0.1363","0.0883","","","0.2152","0.2464","","","","","","1.031","","","","has coordinates,has disorder","254925","2020-10-21","18:00:00",""
"7126772","11.9804","0.0002","14.2208","0.0003","14.3883","0.0003","82.847","0.001","81.601","0.001","83.038","0.001","2392.89","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H62 B2 Cl2 Cu F8 N4 O4 -","- C43 H62 B2 Cl2 Cu F8 N4 O4 -","- C86 H124 B4 Cl4 Cu2 F16 N8 O8 -","2","1","","Marinova, Maya; Bonnefont, Antoine; Achard, Thierry; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane","Chiral stimuli-responsive metallo-supramolecular assembly induced by Cu<sup>II</sup>/Cu<sup>I</sup> redox change.","Chemical communications (Cambridge, England)","2020","56","61","8703","8706","10.1039/d0cc01716g","","","0.71073","MoKα","","0.0789","0.0576","","","0.1511","0.1689","","","","","","1.074","","","","has coordinates","254925","2020-10-21","18:00:00",""
"7126773","11.9749","0.0004","15.7608","0.0005","23.8262","0.0007","90","","90","","90","","4496.8","0.2","153","","153.02","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H28 Cl N2 O Rh -","- C25 H28 Cl N2 O Rh -","- C200 H224 Cl8 N16 O8 Rh8 -","8","1","","Wang, Jinlei; Zheng, Guangfan; Li, Xingwei","Rhodium(iii)-catalyzed diamidation of olefins via amidorhodation and further amidation.","Chemical communications (Cambridge, England)","2020","56","56","7809","7812","10.1039/d0cc00952k","","","1.54178","CuKα","","0.0241","0.0237","","","0.0577","0.058","","","","","","1.1","","","","has coordinates,has disorder","254878","2020-10-21","18:00:00",""
"7126774","9.0785","0.0003","10.6049","0.0004","13.1636","0.0005","94.492","0.002","96.629","0.001","110.761","0.001","1167.39","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H31 P -","- C28 H31 P -","- C56 H62 P2 -","2","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0515","0.044","","","0.1059","0.1103","","","","","","1.047","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126775","11.3195","0.0004","12.0466","0.0003","19.8048","0.0008","78.274","0.001","83.658","0.001","79.969","0.003","2595.93","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 B F10 N P -","- C49 H41 B F10 N P -","- C98 H82 B2 F20 N2 P2 -","2","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.1011","0.0756","","","0.1613","0.1829","","","","","","1.065","","","","has coordinates,has disorder","256008","2020-10-21","18:00:00",""
"7126776","8.6994","0.0002","23.0965","0.0006","20.3461","0.0006","90","","94.248","0.001","90","","4076.82","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 B F10 P -","- C45 H46 B F10 P -","- C180 H184 B4 F40 P4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0721","0.0552","","","0.1211","0.1299","","","","","","1.072","","","","has coordinates,has disorder","256008","2020-10-21","18:00:00",""
"7126777","8.1976","0.0004","18.0312","0.0007","15.7056","0.0007","90","","104.521","0.002","90","","2247.33","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 P -","- C28 H31 P -","- C112 H124 P4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0511","0.043","","","0.1032","0.1087","","","","","","1.013","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126778","12.0862","0.0003","17.6699","0.0004","21.1798","0.0005","90","","99.967","0.001","90","","4454.93","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 B F10 O P -","- C55 H44 B F10 O P -","- C220 H176 B4 F40 O4 P4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","1.54178","CuKα","","0.0505","0.0395","","","0.0975","0.1021","","","","","","1.065","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126779","12.0403","0.0003","13.4516","0.0003","13.5382","0.0003","111.455","0.001","95.241","0.001","97.459","0.002","2000.43","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 B F10 P -","- C48 H38 B F10 P -","- C96 H76 B2 F20 P2 -","2","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0887","0.0734","","","0.1814","0.1987","","","","","","1.088","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126780","8.585","0.0011","15.909","0.0018","37.26","0.004","97.656","0.003","91.686","0.001","95.702","0.002","5013.9","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H48 F12 Mn N8 O4 P2 -","- C50 H48 F12 Mn N8 O4 P2 -","- C200 H192 F48 Mn4 N32 O16 P8 -","4","2","","Yang, Xinda; Zhang, Duoteng; Li, Jie; Ji, Wenhui; Yang, Naidi; Gu, Shunxin; Wu, Qiong; Jiang, Qin; Shi, Pengfei; Li, Lin","A mitochondrion-targeting Mn(ii)-terpyridine complex for two-photon photodynamic therapy.","Chemical communications (Cambridge, England)","2020","56","63","9032","9035","10.1039/d0cc02051f","","","0.71073","MoKα","","0.3198","0.1639","","","0.3622","0.4189","","","","","","1.099","","","","has coordinates,has disorder","255953","2020-10-21","18:00:00",""
"7126781","16.3679","0.0001","16.3679","0.0001","16.3679","0.0001","90","","90","","90","","4385.09","0.05","173","0.1","173","0.1","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C24 H60 O18 V6 -","- C24 H60 O18 V6 -","- C96 H240 O72 V24 -","4","0.166667","","Meyer, Rachel L.; Love, Robert; Brennessel, William W.; Matson, Ellen M.","Mechanistic insights into polyoxometalate self-assembly in organic solvent: conversion of a cyclic polyoxovanadate-ethoxide to its Lindqvist congener.","Chemical communications (Cambridge, England)","2020","56","61","8607","8610","10.1039/d0cc03464a","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0797","0.0807","","","","","","1.071","","","","has coordinates","254930","2020-10-21","18:00:00",""
"7126782","21.5402","0.0002","22.7876","0.0002","28.6846","0.0002","90","","97.979","0.001","90","","13943.5","0.2","199.97","0.13","199.97","0.13","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C125 H130 O40 S10 -","- C125 H130 O40 S10 -","- C500 H520 O160 S40 -","4","0.5","","Ruengsuk, Araya; Khamphaijun, Korawit; Pananusorn, Puttipong; Docker, Andrew; Tantirungrotechai, Jonggol; Sukwattanasinitt, Mongkol; Harding, David J.; Bunchuay, Thanthapatra","Pertosylated pillar[5]arene: self-template assisted synthesis and supramolecular polymer formation.","Chemical communications (Cambridge, England)","2020","56","62","8739","8742","10.1039/d0cc04005c","","","1.54184","CuKα","","0.0789","0.0744","","","0.2371","0.2434","","","","","","1.057","","","","has coordinates,has disorder","256007","2020-10-21","18:00:00",""
"7126783","14.98554","0.00016","18.2946","0.0002","28.2056","0.0002","103.655","0.0009","90.0967","0.0008","113.613","0.0011","6844.65","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C135 H146 N2 O41 S10 -","- C131 H138 N2 O40 S10 -","- C262 H276 N4 O80 S20 -","2","1","","Ruengsuk, Araya; Khamphaijun, Korawit; Pananusorn, Puttipong; Docker, Andrew; Tantirungrotechai, Jonggol; Sukwattanasinitt, Mongkol; Harding, David J.; Bunchuay, Thanthapatra","Pertosylated pillar[5]arene: self-template assisted synthesis and supramolecular polymer formation.","Chemical communications (Cambridge, England)","2020","56","62","8739","8742","10.1039/d0cc04005c","","x-ray","1.54184","CuKα","","0.0754","0.07","","","0.2062","0.2118","","","","","","1.011","","","","has coordinates,has disorder","256007","2020-10-21","18:00:00",""
"7126784","11.0462","0.0017","14.645","0.002","13.553","0.002","90","","107.712","0.002","90","","2088.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","","Babu, Kaki Raveendra; Li, Yang; Xu, Wenbo; Tang, Yuhai; Zhang, Wenquan; Xu, Silong","Multicomponent benzannulation of allylic P-ylides with isocyanates or aldehydes for construction of anilines and biaryls.","Chemical communications (Cambridge, England)","2020","56","62","8865","8868","10.1039/d0cc03461d","","","0.71073","MoKα","","0.0547","0.0409","","","0.1034","0.113","","","","","","1.024","","","","has coordinates","256002","2020-10-21","18:00:00",""
"7126785","13.3704","0.0004","15.8172","0.0005","18.5339","0.0006","90","","102.526","0.001","90","","3826.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl4 Co3 N4 -","- C38 H42 Cl4 Co3 N4 -","- C152 H168 Cl16 Co12 N16 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.","Chemical communications (Cambridge, England)","2020","56","64","9122","9125","10.1039/d0cc03713c","","x-ray","1.54178","CuKα","","0.0588","0.0505","","","0.1133","0.1207","","","","","","1.051","","","","has coordinates","255974","2020-10-21","18:00:00",""
"7126786","13.302","0.006","15.821","0.007","18.6","0.008","90","","102.662","0.006","90","","3819","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl4 Co N4 Zn2 -","- C38 H42 Cl4 Co N4 Zn2 -","- C152 H168 Cl16 Co4 N16 Zn8 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.","Chemical communications (Cambridge, England)","2020","56","64","9122","9125","10.1039/d0cc03713c","","x-ray","0.71073","MoKα","","0.0841","0.0582","","","0.1442","0.1676","","","","","","1.065","","","","has coordinates","255974","2020-10-21","18:00:00",""
"7126787","13.44","0.003","15.842","0.003","18.607","0.004","90","","102.501","0.01","90","","3867.8","1.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl4 Co Fe2 N4 -","- C38 H42 Cl4 Co Fe2 N4 -","- C152 H168 Cl16 Co4 Fe8 N16 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.","Chemical communications (Cambridge, England)","2020","56","64","9122","9125","10.1039/d0cc03713c","","x-ray","0.71073","MoKα","","0.0309","0.0271","","","0.0666","0.0692","","","","","","1.041","","","","has coordinates","255974","2020-10-21","18:00:00",""
"7126788","10.454","0.0004","11.2457","0.0005","22.6586","0.0009","77.86","0.002","79.348","0.002","82.174","0.002","2546.2","0.18","297","2","297.09","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H68 N12 O3 -","- C50 H68 N12 O3 -","- C100 H136 N24 O6 -","2","1","","He, Ying-Chun; Yan, Yan-Mei; Tong, Hong-Bo; Ren, Zhen-Xing; Wang, Jun-Hong; Zhang, Yong-Bin; Chao, Jian-Bin; Wang, Meng-Liang","Benzenebistriazole-strapped calix[4]pyrrole: a neutral anion receptor with CH and NH donor groups that exhibits high sulfate binding affinity and selectivity in aqueous solutions.","Chemical communications (Cambridge, England)","2020","56","65","9364","9367","10.1039/d0cc03655b","","","0.71073","MoKα","","0.073","0.0579","","","0.1363","0.1524","","","","","","1.045","","","","has coordinates","256022","2020-10-21","18:00:00",""
"7126789","14.1432","0.0007","19.0048","0.0009","21.5747","0.0011","90","","99.75","0.002","90","","5715.3","0.5","190","2","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H80 N12 O5 S -","- C53 H80 N12 O5 S -","- C212 H320 N48 O20 S4 -","4","1","","He, Ying-Chun; Yan, Yan-Mei; Tong, Hong-Bo; Ren, Zhen-Xing; Wang, Jun-Hong; Zhang, Yong-Bin; Chao, Jian-Bin; Wang, Meng-Liang","Benzenebistriazole-strapped calix[4]pyrrole: a neutral anion receptor with CH and NH donor groups that exhibits high sulfate binding affinity and selectivity in aqueous solutions.","Chemical communications (Cambridge, England)","2020","56","65","9364","9367","10.1039/d0cc03655b","","","0.71073","MoKα","","0.113","0.0835","","","0.2444","0.2695","","","","","","1.085","","","","has coordinates,has disorder","256022","2020-10-21","18:00:00",""
"7126790","19.637","0.004","27.707","0.006","19.921","0.004","90","","90","","90","","10839","4","100","","100","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C104.5 H76.5 B4 F16 Fe2 N16 O6.5 S6 -","- C104.5 H76.5 B4 F16 Fe2 N16 O6.5 S6 -","- C418 H306 B16 F64 Fe8 N64 O26 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.0688","0.0582","","","0.177","0.1904","","","","","","1.036","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126791","19.69","0.004","27.779","0.006","19.967","0.004","90","","90","","90","","10921","4","150","","150","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C102.22 H75.65 B4 F16 Fe2 N15 O6.25 S6 -","- C102.264 H73.676 B4 F16 Fe2 N15 O6.25 S6 -","- C409.056 H294.704 B16 F64 Fe8 N60 O25 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.0693","0.0571","","","0.1733","0.1901","","","","","","1.048","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126792","20.127","0.004","27.951","0.006","19.854","0.004","90","","90","","90","","11169","4","250","","250","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C101 H72.5 B4 F15.8 Fe2 N14.5 O6 S6 -","- C101 H72.5 B4 F15.8 Fe2 N14.5 O6 S6 -","- C404 H290 B16 F63.2 Fe8 N58 O24 S24 -","4","0.5","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.1136","0.096","","","0.2987","0.3219","","","","","","1.256","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126793","19.772","0.004","27.872","0.006","20.025","0.004","90","","90","","90","","11035","4","200","","200","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C101.17 H72.75 B4 F16 Fe2 N14.58 O6 S6 -","- C101.167 H71.75 B4 F16 Fe2 N14.5833 O6 S6 -","- C404.666 H287 B16 F64 Fe8 N58.3332 O24 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.1037","0.0888","","","0.2465","0.2745","","","","","","1.083","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126794","13.3593","0.0015","16.3964","0.0017","17.537","0.002","90","","108.015","0.005","90","","3653.1","0.7","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 B Cu N4 P2 -","- C42 H42 B Cu N4 P2 -","- C168 H168 B4 Cu4 N16 P8 -","4","0.5","","Lee, Kyounghoon; Lai, Po-Ni; Parveen, Riffat; Donahue, Courtney M.; Wymore, Mikayla M.; Massman, Blake A.; Vlaisavljevich, Bess; Teets, Thomas S.; Daly, Scott R.","Modifying the luminescent properties of a Cu(i) diphosphine complex using ligand-centered reactions in single crystals.","Chemical communications (Cambridge, England)","2020","56","64","9110","9113","10.1039/d0cc03427d","","","0.71073","MoKα","","0.0479","0.0346","","","0.0826","0.0873","","","","","","1.059","","","","has coordinates","255972","2020-10-21","18:00:00",""
"7126795","12.4036","0.0012","19.0304","0.0019","12.5089","0.0013","90","","105.131","0.005","90","","2850.3","0.5","190","2","190.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 B Cl Cu N3 P2 -","- C30 H32 B Cl Cu N3 P2 -","- C120 H128 B4 Cl4 Cu4 N12 P8 -","4","1","","Lee, Kyounghoon; Lai, Po-Ni; Parveen, Riffat; Donahue, Courtney M.; Wymore, Mikayla M.; Massman, Blake A.; Vlaisavljevich, Bess; Teets, Thomas S.; Daly, Scott R.","Modifying the luminescent properties of a Cu(i) diphosphine complex using ligand-centered reactions in single crystals.","Chemical communications (Cambridge, England)","2020","56","64","9110","9113","10.1039/d0cc03427d","","","0.71073","MoKα","","0.0444","0.0309","","","0.1089","0.1261","","","","","","0.983","","","","has coordinates","255972","2020-10-21","18:00:00",""
"7126796","11.194","0.0011","21.08","0.002","13.3883","0.0013","90","","107.235","0.005","90","","3017.4","0.5","150","2","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 B Cl Cu N3 O P2 -","- C31 H36 B Cl Cu N3 O P2 -","- C124 H144 B4 Cl4 Cu4 N12 O4 P8 -","4","1","","Lee, Kyounghoon; Lai, Po-Ni; Parveen, Riffat; Donahue, Courtney M.; Wymore, Mikayla M.; Massman, Blake A.; Vlaisavljevich, Bess; Teets, Thomas S.; Daly, Scott R.","Modifying the luminescent properties of a Cu(i) diphosphine complex using ligand-centered reactions in single crystals.","Chemical communications (Cambridge, England)","2020","56","64","9110","9113","10.1039/d0cc03427d","","","0.71073","MoKα","","0.1001","0.0479","","","0.0895","0.106","","","","","","1.013","","","","has coordinates,has disorder","255972","2020-10-21","18:00:00",""
"7126797","25.6587","0.0008","25.6587","0.0008","10.1334","0.0005","90","","90","","120","","5777.7","0.4","100","2","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C93 H78 N9 O19 Zn4 -","- C93 H78 N9 O19 Zn4 -","- C186 H156 N18 O38 Zn8 -","2","0.333333","","Tang, Haitong; Yang, Keke; Wang, Kun-Yu; Meng, Qi; Wu, Fan; Fang, Yu; Wu, Xiang; Li, Yougui; Zhang, WenCheng; Luo, Yunfei; Zhu, Chengfeng; Zhou, Hong-Cai","Engineering a homochiral metal-organic framework based on an amino acid for enantioselective separation.","Chemical communications (Cambridge, England)","2020","56","63","9016","9019","10.1039/d0cc00897d","","","0.65247","Synchrotron","","0.0739","0.0663","","","0.1837","0.1905","","","","","","1.066","","","","has coordinates,has disorder","255954","2020-10-21","18:00:00",""
"7126798","3.8712","0.0016","6.84","0.003","23.77","0.009","90","","90","","90","","629.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-1H-imidazole-4,5-dicarbaldehyde","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0479","0.0416","","","0.1037","0.1071","","","","","","1.114","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126799","6.0018","0.0005","8.6564","0.0007","14.5956","0.0013","90","","90","","90","","758.3","0.11","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0395","0.0355","","","0.0951","0.0981","","","","","","1.064","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126800","12.1299","0.0018","6.2796","0.001","16.088","0.003","90","","94.965","0.006","90","","1220.8","0.4","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 B F4 N2 Se -","- C10 H11 B F4 N2 Se -","- C40 H44 B4 F16 N8 Se4 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0603","0.0506","","","0.1353","0.1399","","","","","","1.113","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126801","5.8033","0.0008","10.5327","0.0015","16.799","0.003","90","","90","","90","","1026.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 Se -","- C10 H12 N2 Se -","- C40 H48 N8 Se4 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0571","0.0407","","","0.1036","0.1114","","","","","","1.063","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126802","6.8205","0.0004","12.3993","0.0007","21.2683","0.0012","90","","90.48","0.003","90","","1798.58","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-dimethylcyclohepta[d]imidazole-1,3-diium-trifluoromethanesulfonate","","- C12 H12 F6 N2 O6 S2 -","- C12 H12 F6 N2 O6 S2 -","- C48 H48 F24 N8 O24 S8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","1.54178","CuKα","","0.0775","0.0751","","","0.2063","0.2092","","","","","","1.039","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126803","8.0887","0.0004","20.767","0.001","11.8752","0.0006","90","","106.634","0.002","90","","1911.3","0.16","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B Cl F4 N2 Rh -","- C18 H23 B Cl F4 N2 Rh -","- C72 H92 B4 Cl4 F16 N8 Rh4 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0276","0.023","","","0.055","0.0575","","","","","","1.074","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126804","10.4247","0.0003","14.2467","0.0008","15.6532","0.0006","85.418","0.004","85.632","0.003","89.424","0.003","2310.6","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Bi2 Cl10 N4 -","- C36 H52 Bi2 Cl10 N4 -","- C72 H104 Bi4 Cl20 N8 -","2","1","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0676","0.0369","","","0.0608","0.0714","","","","","","0.999","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126805","11.8794","0.0004","12.036","0.0005","20.2002","0.0007","92.755","0.003","105.01","0.003","104.72","0.003","2678.01","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 Bi2 Br10 N4 -","- C40 H60 Bi2 Br10 N4 -","- C80 H120 Bi4 Br20 N8 -","2","1","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0667","0.0396","","","0.0518","0.0568","","","","","","0.927","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126806","11.2548","0.0005","11.3269","0.0007","11.4527","0.0006","77.607","0.005","69.581","0.005","68.028","0.005","1262.94","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H59 Bi2 Cl10 N4 -","- C40 H59 Bi2 Cl10 N4 -","- C40 H59 Bi2 Cl10 N4 -","1","0.5","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0331","0.0271","","","0.0438","0.0461","","","","","","1.001","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126807","10.4555","0.0003","11.4437","0.0005","12.2399","0.0005","75.666","0.003","67.787","0.003","65.258","0.003","1224.38","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Bi2 Br10 N4 -","- C36 H52 Bi2 Br10 N4 -","- C36 H52 Bi2 Br10 N4 -","1","0.5","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0455","0.0404","","","0.0935","0.0973","","","","","","1.024","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126808","46.5535","0.0003","46.5535","0.0003","18.2299","0.0002","90","","90","","120","","34215.2","0.5","100","0.2","100","0.2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H214 Ca10 N10 Si4 -","- C102 H214 Ca10 N10 Si4 -","- C918 H1926 Ca90 N90 Si36 -","9","0.5","","Martin, Johannes; Eyselein, Jonathan; Langer, Jens; Elsen, Holger; Harder, Sjoerd","Large decanuclear calcium and strontium hydride clusters.","Chemical communications (Cambridge, England)","2020","56","64","9178","9181","10.1039/d0cc04330c","","x-ray","1.54184","CuKα","","0.0491","0.0442","","","0.1152","0.1209","","","","","","1.056","","","","has coordinates,has disorder","255967","2020-10-21","18:00:00",""
"7126809","15.0995","0.0003","18.8526","0.0003","28.8886","0.0005","100.413","0.0014","91.1677","0.0013","110.944","0.0015","7521.3","0.2","240","0.1","240","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C123 H238 N10 Si4 Sr10 -","- C116 H230 N10 Si4 Sr10 -","- C232 H460 N20 Si8 Sr20 -","2","1","","Martin, Johannes; Eyselein, Jonathan; Langer, Jens; Elsen, Holger; Harder, Sjoerd","Large decanuclear calcium and strontium hydride clusters.","Chemical communications (Cambridge, England)","2020","56","64","9178","9181","10.1039/d0cc04330c","","x-ray","1.54184","CuKα","","0.0692","0.0591","","","0.1555","0.1639","","","","","","1.035","","","","has coordinates,has disorder","255967","2020-10-21","18:00:00",""
"7126810","10.0045","0.0017","14.86","0.003","16.494","0.003","76.859","0.015","76.555","0.014","72.955","0.013","2246.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl O S -","- C162 H38 Cl2 O2 -","- C162 H38 Cl2 O2 -","1","0.5","","Li, Fei; Shang, Yanbo; Niu, Chuang; Li, Chao; Huang, Xinmin; Xu, Guoyong; Xuan, Jun; Zhou, Hongping; Yang, Shangfeng","Potassium salt promoted regioselective three-component coupling synthesis of 1,4-asymmetrical [60]fullerene bisadducts with superior electron transport properties.","Chemical communications (Cambridge, England)","2020","56","66","9513","9516","10.1039/d0cc03857a","","","1.54186","CuKα","","0.1175","0.0805","","","0.2039","0.2378","","","","","","1.019","","","","has coordinates","255991","2020-10-21","18:00:00",""
"7126811","11.5628","0.0002","11.2503","0.0002","22.9994","0.0005","90","","93.55","0.002","90","","2986.14","0.1","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H41 F6 Ir N3 O P3 -","- C22 H41 F6 Ir N3 O P3 -","- C88 H164 F24 Ir4 N12 O4 P12 -","4","0.5","","Hu, Gongfang; Jiang, Jianbing Jimmy; Kelly, H. Ray; Matula, Adam J.; Wu, Yueshen; Romano, Neyen; Mercado, Brandon Q.; Wang, Hailiang; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Surprisingly big linker-dependence of activity and selectivity in CO<sub>2</sub> reduction by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2020","56","64","9126","9129","10.1039/d0cc03207g","","","0.71073","MoKα","","0.0492","0.0488","","","0.1212","0.1214","","","","","","1.082","","","","has coordinates","255969","2020-10-21","18:00:00",""
"7126812","8.4834","0.0002","27.8076","0.0007","12.4613","0.0002","90","","91.593","0.002","90","","2938.52","0.11","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 F6 Ir N O3 P3 -","- C22 H39 F6 Ir N O3 P3 -","- C88 H156 F24 Ir4 N4 O12 P12 -","4","1","","Hu, Gongfang; Jiang, Jianbing Jimmy; Kelly, H. Ray; Matula, Adam J.; Wu, Yueshen; Romano, Neyen; Mercado, Brandon Q.; Wang, Hailiang; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Surprisingly big linker-dependence of activity and selectivity in CO<sub>2</sub> reduction by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2020","56","64","9126","9129","10.1039/d0cc03207g","","","0.71073","MoKα","","0.0292","0.0268","","","0.0654","0.0666","","","","","","1.09","","","","has coordinates","255969","2020-10-21","18:00:00",""
"7126813","16.342","0.002","23.291","0.003","24.187","0.004","113.031","0.009","90.664","0.014","100.204","0.01","8305","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H214 N2 O28 Si16 Yb2 -","- C118 H214 N2 O28 Si16 Yb2 -","- C236 H428 N4 O56 Si32 Yb4 -","2","1","","Willauer, Aurélien R; Dabrowska, Anna M.; Scopelliti, Rosario; Mazzanti, Marinella","Structure and small molecule activation reactivity of a metallasilsesquioxane of divalent ytterbium.","Chemical communications (Cambridge, England)","2020","56","63","8936","8939","10.1039/d0cc04197a","","","0.71073","MoKα","","0.1028","0.0643","","","0.1533","0.1771","","","","","","1.042","","","","has coordinates,has disorder","255951","2020-10-21","18:00:00",""
"7126814","16.788","0.003","30.084","0.005","25.587","0.003","90","","90.57","0.01","90","","12922","3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H188 O26 Si16 Yb2 -","- C98 H188 O26 Si16 Yb2 -","- C392 H752 O104 Si64 Yb8 -","4","1","","Willauer, Aurélien R; Dabrowska, Anna M.; Scopelliti, Rosario; Mazzanti, Marinella","Structure and small molecule activation reactivity of a metallasilsesquioxane of divalent ytterbium.","Chemical communications (Cambridge, England)","2020","56","63","8936","8939","10.1039/d0cc04197a","","","0.71073","MoKα","","0.196","0.1206","","","0.2536","0.2935","","","","","","1.116","","","","has coordinates,has disorder","255951","2020-10-21","18:00:00",""
"7126815","14.8226","0.0012","9.0342","0.0007","23.887","0.002","90","","90","","90","","3198.7","0.4","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","1","","Li, Jian; Yang, Fang; Hu, Weiwei; Ren, Bo; Chen, Zi-Sheng; Ji, Kegong","Gold(i)-catalyzed tandem cyclization of cyclopropylidene-tethered propargylic alcohols: an approach to functionalized naphtho[2,3-c]pyrans.","Chemical communications (Cambridge, England)","2020","56","64","9154","9157","10.1039/d0cc03285a","","x-ray","0.71073","MoKα","","0.0683","0.0457","","","0.0904","0.1023","","","","","","1.07","","","","has coordinates","255975","2020-10-21","18:00:00",""
"7126816","21.265","0.002","21.265","0.002","69.25","0.008","90","","90","","120","","27119","5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H162 Cu12 N12 O48 -","- C204 H162 Cu12 N12 O48 -","- C612 H486 Cu36 N36 O144 -","3","0.166667","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1543","0.088","","","0.2481","0.2803","","","","","","1.151","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126817","26.357","0.006","26.357","0.006","56.276","0.013","90","","90","","120","","33857","13","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C828 H612 Mo36 N36 O180 -","- C828 H612 Mo36 N36 O180 -","- C828 H612 Mo36 N36 O180 -","1","0.0555556","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1041","0.0949","","","0.306","0.318","","","","","","1.356","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126818","59.221","0.004","23.4873","0.0015","41.898","0.002","90","","125.318","0.003","90","","47552","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C242 H146 Mo12 N16 O54 -","- C242 H146 Mo12 N16 O54 -","- C968 H584 Mo48 N64 O216 -","4","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1508","0.0929","","","0.2457","0.3044","","","","","","1","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126819","42.1022","0.0012","27.7671","0.0008","37.031","0.001","90","","104.565","0.0014","90","","41900","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C240 H120 Br12 Cr12 N12 O60 -","- C240 H120 Br12 Cr12 N12 O60 -","- C960 H480 Br48 Cr48 N48 O240 -","4","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1831","0.1121","","","0.3113","0.3726","","","","","","1.249","","","","has coordinates,has disorder","256025","2020-10-21","18:00:00",""
"7126820","35.9602","0.0019","35.9602","0.0019","36.207","0.002","90","","90","","120","","40548","4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C384 H216 Cu12 N24 O60 -","- C384 H216 Cu12 N24 O60 -","- C1152 H648 Cu36 N72 O180 -","3","0.166667","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.2874","0.175","","","0.4446","0.5072","","","","","","1.697","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126821","20.2176","0.0008","22.8067","0.0008","40.8077","0.0014","90","","100.344","0.002","90","","18510.5","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C240 H132 Cu12 N12 O60 -","- C240 H132 Cu12 N12 O60 -","- C480 H264 Cu24 N24 O120 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1897","0.1281","","","0.3585","0.4134","","","","","","1.428","","","","has coordinates,has disorder","256025","2020-10-21","18:00:00",""
"7126822","19.686","0.003","27.191","0.003","39.897","0.005","90","","93.427","0.003","90","","21318","5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C312 H180 Mo12 N12 O48 -","- C288 H160 Mo12 N12 O48 -","- C576 H320 Mo24 N24 O96 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1969","0.1175","","","0.28","0.3528","","","","","","0.965","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126823","26.9417","0.0014","26.9492","0.0014","35.287","0.002","90","","90.249","0.003","90","","25620","2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C260 H140 Br12 Cu12 N18 O54 -","- C260 H140 Br12 Cu12 N18 O54 -","- C520 H280 Br24 Cu24 N36 O108 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1901","0.1652","","","0.4135","0.4347","","","","","","1.658","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126824","7.3787","0.0009","15.3471","0.0019","14.9299","0.0018","90","","96.703","0.004","90","","1679.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N10 O14 Zn3 -","- C28 H32 N10 O14 Zn3 -","- C56 H64 N20 O28 Zn6 -","2","0.5","","Liu, Jiao; Zhao, Ying; Dang, Li-Long; Yang, Guoping; Ma, Lu-Fang; Li, Dong-Sheng; Wang, Yaoyu","Highly stable 3D porous HMOF with enhanced catalysis and fine color regulation by the combination of d- and p-ions when compared with those of its monometallic MOFs.","Chemical communications (Cambridge, England)","2020","56","62","8758","8761","10.1039/d0cc03111a","","","0.71073","MoKα","","0.0313","0.0233","","","0.0698","0.083","","","","","","1.038","","","","has coordinates","255999","2020-10-21","18:00:00",""
"7126825","7.0192","0.001","12.1615","0.0018","14.3322","0.0019","66.712","0.004","85.198","0.004","89.169","0.005","1119.6","0.3","150","2","149.98","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 N8 O10 Pb2 -","- C18 H12 N8 O10 Pb2 -","- C36 H24 N16 O20 Pb4 -","2","1","","Liu, Jiao; Zhao, Ying; Dang, Li-Long; Yang, Guoping; Ma, Lu-Fang; Li, Dong-Sheng; Wang, Yaoyu","Highly stable 3D porous HMOF with enhanced catalysis and fine color regulation by the combination of d- and p-ions when compared with those of its monometallic MOFs.","Chemical communications (Cambridge, England)","2020","56","62","8758","8761","10.1039/d0cc03111a","","","0.71073","MoKα","","0.0896","0.0564","","","0.143","0.1657","","","","","","1.045","","","","has coordinates","255999","2020-10-21","18:00:00",""
"7126826","20.796","0.004","22.171","0.004","6.8392","0.0012","90","","105.035","0.005","90","","3045.4","1","158","2","158.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 N4 O5 Pb Zn0.5 -","- C9 H5 N4 O5 Pb Zn0.5 -","- C72 H40 N32 O40 Pb8 Zn4 -","8","1","","Liu, Jiao; Zhao, Ying; Dang, Li-Long; Yang, Guoping; Ma, Lu-Fang; Li, Dong-Sheng; Wang, Yaoyu","Highly stable 3D porous HMOF with enhanced catalysis and fine color regulation by the combination of d- and p-ions when compared with those of its monometallic MOFs.","Chemical communications (Cambridge, England)","2020","56","62","8758","8761","10.1039/d0cc03111a","","","0.71073","MoKα","","0.0639","0.0566","","","0.1424","0.147","","","","","","1.083","","","","has coordinates","255999","2020-10-21","18:00:00",""
"7126827","7.8806","0.0003","8.6623","0.0003","19.524","0.0007","90","","95.543","0.001","90","","1326.56","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DCDNF","","","- C15 H4 N4 O5 -","- C15 H4 N4 O5 -","- C60 H16 N16 O20 -","4","1","","Niazi, Muhammad Rizwan; Hamzehpoor, Ehsan; Ghamari, Pegah; Perepichka, Igor F.; Perepichka, Dmitrii F.","Nitroaromatics as n-type organic semiconductors for field effect transistors.","Chemical communications (Cambridge, England)","2020","56","47","6432","6435","10.1039/d0cc01236j","","x-ray","1.54178","CuKα","","0.0334","0.0331","","","0.0879","0.0881","","","","","","1.041","","","","has coordinates","253761","2020-10-21","18:00:00",""
"7126828","11.3658","0.0011","12.2954","0.0009","12.4661","0.0014","90","","102.113","0.005","90","","1703.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F O S2 -","- C22 H13 F O S2 -","- C88 H52 F4 O4 S8 -","4","1","","Sundaravelu, Nallappan; Sekar, Govindasamy","Cu-Catalyzed one-pot synthesis of thiochromeno-quinolinone and thiochromeno-thioflavone via oxidative double hetero Michael addition using in situ generated nucleophiles.","Chemical communications (Cambridge, England)","2020","56","62","8826","8829","10.1039/d0cc03210g","","","0.71073","MoKα","","0.1012","0.0425","","","0.0781","0.0995","","","","","","0.999","","","","has coordinates","255998","2020-10-21","18:00:00",""
"7126829","11.1152","0.0003","12.7185","0.0004","12.9078","0.0005","90","","103.703","0.0014","90","","1772.82","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O S2 -","- C23 H16 O S2 -","- C92 H64 O4 S8 -","4","1","","Sundaravelu, Nallappan; Sekar, Govindasamy","Cu-Catalyzed one-pot synthesis of thiochromeno-quinolinone and thiochromeno-thioflavone via oxidative double hetero Michael addition using in situ generated nucleophiles.","Chemical communications (Cambridge, England)","2020","56","62","8826","8829","10.1039/d0cc03210g","","","0.71073","MoKα","","0.0465","0.0341","","","0.0757","0.0843","","","","","","0.988","","","","has coordinates","255998","2020-10-21","18:00:00",""
"7126830","13.359","0.0011","13.2038","0.0011","17.1923","0.0014","90","","108.975","0.001","90","","2867.8","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 Au2 N21 O4 P4 Ru2 -","- C43 H66 Au2 N21 O4 P4 Ru2 -","- C86 H132 Au4 N42 O8 P8 Ru4 -","2","0.5","","Scalambra, Franco; Sierra-Martin, Benjamin; Serrano-Ruiz, Manuel; Fernandez-Barbero, Antonio; Romerosa, Antonio","First exfoliated Ru-Ru-Au organometallic polymer with layered structure.","Chemical communications (Cambridge, England)","2020","56","66","9441","9444","10.1039/d0cc04325g","","","0.71073","MoKα","","0.0226","0.0209","","","0.0482","0.0491","","","","","","1.039","","","","has coordinates,has disorder","255989","2020-10-21","18:00:00",""
"7126831","9.236","0.002","14.416","0.003","25.771","0.006","90","","95.167","0.007","90","","3417.4","1.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 N5 O3 -","- C37 H41 N5 O3 -","- C148 H164 N20 O12 -","4","1","","Behera, Kanhu Charan; Bag, Bamaprasad","Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.","Chemical communications (Cambridge, England)","2020","56","65","9308","9311","10.1039/d0cc03985c","","","0.71073","MoKα","","0.0639","0.057","","","0.1529","0.1591","","","","","","1.1554","","","","has coordinates","256023","2020-10-21","18:00:00",""
"7126832","16.2392","0.0019","12.0245","0.0016","17.25","0.002","90","","110.696","0.003","90","","3151","0.7","102","2","102","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H35 N3 O5 -","- C35 H35 N3 O5 -","- C140 H140 N12 O20 -","4","1","","Behera, Kanhu Charan; Bag, Bamaprasad","Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.","Chemical communications (Cambridge, England)","2020","56","65","9308","9311","10.1039/d0cc03985c","","","0.71073","MoKα","","0.0297","0.0278","","","0.0639","0.0652","","","","","","1.076","","","","has coordinates","256023","2020-10-21","18:00:00",""
"7126833","9.309","0.002","14.055","0.003","25.6","0.006","90","","95.731","0.005","90","","3332.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H85 N10 O6 -","- C74 H85 N10 O6 -","- C148 H170 N20 O12 -","2","0.5","","Behera, Kanhu Charan; Bag, Bamaprasad","Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.","Chemical communications (Cambridge, England)","2020","56","65","9308","9311","10.1039/d0cc03985c","","","0.71073","MoKα","","0.0758","0.0579","","","0.1623","0.1826","","","","","","1.027","","","","has coordinates","256023","2020-10-21","18:00:00",""
"7126834","12.2588","0.001","7.5269","0.0006","13.4609","0.0011","90","","93.275","0.002","90","","1240.02","0.17","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N S -","- C16 H15 N S -","- C64 H60 N4 S4 -","4","1","","Kirkeby, Emily K.; Roberts, Andrew G.","Design, synthesis and characterization of structurally dynamic cyclic N,S-acetals.","Chemical communications (Cambridge, England)","2020","56","64","9118","9121","10.1039/d0cc03503c","","","0.71073","MoKα","","0.0359","0.0299","","","0.0824","0.0863","","","","","","1.047","","","","has coordinates","255971","2020-10-21","18:00:00",""
"7126835","18.2786","0.0014","5.5078","0.0004","13.668","0.0011","90","","95.902","0.002","90","","1368.73","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C68 H68 N4 O4 S4 -","4","1","","Kirkeby, Emily K.; Roberts, Andrew G.","Design, synthesis and characterization of structurally dynamic cyclic N,S-acetals.","Chemical communications (Cambridge, England)","2020","56","64","9118","9121","10.1039/d0cc03503c","","","0.71073","MoKα","","0.0706","0.0443","","","0.0985","0.1088","","","","","","1.026","","","","has coordinates","255971","2020-10-21","18:00:00",""
"7126836","7.2999","0.0003","8.7882","0.0003","12.8272","0.0005","70.781","0.001","74.659","0.001","80.397","0.001","746.48","0.05","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C34 H32 N4 O6 S2 -","2","1","","Kirkeby, Emily K.; Roberts, Andrew G.","Design, synthesis and characterization of structurally dynamic cyclic N,S-acetals.","Chemical communications (Cambridge, England)","2020","56","64","9118","9121","10.1039/d0cc03503c","","","0.71073","MoKα","","0.0514","0.0358","","","0.0924","0.1004","","","","","","1.069","","","","has coordinates","255971","2020-10-21","18:00:00",""
"7126837","7.7313","0.0004","8.231","0.0004","13.2902","0.0007","81.614","0.002","79.942","0.002","89.931","0.002","823.58","0.07","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","","Tathe, Akash G.; Chintawar, Chetan C.; Bhoyare, Vivek W.; Patil, Nitin T.","Ligand-enabled gold-catalyzed 1,2-heteroarylation of alkenes.","Chemical communications (Cambridge, England)","2020","56","65","9304","9307","10.1039/d0cc03707a","","","0.71073","MoKα","","0.0743","0.0506","","","0.1202","0.1324","","","","","","1.036","","","","has coordinates","256021","2020-10-21","18:00:00",""
"7126838","15.4081","0.0006","18.0628","0.0008","8.5341","0.0004","90","","97.705","0.004","90","","2353.71","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.36 H8.72 Cl0.73 N O2 -","- C14.364 H8 Cl0.728 N O2 -","- C114.912 H64 Cl5.824 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0539","0.0479","","","0.1332","0.1376","","","","","","1.079","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126839","15.938","0.0008","15.938","0.0008","15.9529","0.0007","90","","90","","90","","4052.4","0.3","123","","150","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0429","0.0363","","","0.0941","0.0981","","","","","","1.065","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126840","15.512","0.003","17.987","0.004","8.5142","0.0017","90","","97.05","0.03","90","","2357.6","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.25 H9.25 N O2 -","- C15.25 H8 N O2 -","- C122 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0749","0.0705","","","0.2061","0.2109","","","","","","1.12","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126841","15.9394","0.0007","15.9394","0.0007","15.9489","0.0007","90","","90","","90","","4052","0.3","150","2","150","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0439","0.0385","","","0.0972","0.101","","","","","","1.035","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126842","15.442","0.003","18.01","0.004","8.5151","0.0017","90","","97.36","0.03","90","","2348.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.46 H8.9 Cl0.46 N O2 -","- C14.464 H8 Cl0.464 N O2 -","- C115.712 H64 Cl3.712 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0664","0.0617","","","0.1915","0.1964","","","","","","1.092","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126843","15.564","0.003","18.062","0.004","8.5078","0.0017","90","","96.99","0.03","90","","2373.9","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14.93 H9.9 N O2 -","- C14.8 H8 N O2 -","- C118.4 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0769","0.0734","","","0.2079","0.212","","","","","","1.038","","","","has coordinates,has disorder","256033","2020-10-21","18:00:00",""
"7126844","15.4912","0.0005","18.1068","0.0005","8.5193","0.0003","90","","97.128","0.003","90","","2371.16","0.13","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.25 H10.62 N O2 -","- C16.25 H8 N O2 -","- C130 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0481","0.0418","","","0.1124","0.1167","","","","","","1.069","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126845","11.0304","0.0007","11.821","0.0005","9.3939","0.0005","90","","115.468","0.002","90","","1105.85","0.1","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 N O3 -","- C14 H10 N O3 -","- C56 H40 N4 O12 -","4","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.71073","MoKα","","0.053","0.0401","","","0.1001","0.1144","","","","","","1.107","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126846","15.926","0.002","15.926","0.002","15.916","0.003","90","","90","","90","","4036.9","1","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.43158","synchrotron","","0.0386","0.0378","","","0.0983","0.0991","","","","","","1.081","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126847","15.45","0.003","17.951","0.004","8.5315","0.0017","90","","97.51","0.03","90","","2345.9","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.75 H12.1 N O2 -","- C15.7499 H8 N O2 -","- C125.999 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.43158","synchrotron","","0.0883","0.0779","","","0.2447","0.256","","","","","","1.117","","","","has coordinates,has disorder","256033","2020-10-21","18:00:00",""
"7126848","15.487","0.003","17.983","0.004","8.5171","0.0017","90","","97.19","0.03","90","","2353.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H11 N O2 -","- C15.25 H8 N O2 -","- C122 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0554","0.0521","","","0.1576","0.1602","","","","","","1.073","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126849","15.5901","0.0003","18.1053","0.0004","8.5158","0.0002","90","","97.025","0.002","90","","2385.65","0.09","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14.86 H8 N O2.21 -","- C14.8603 H8 N O2.211 -","- C118.882 H64 N8 O17.688 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0595","0.0551","","","0.1661","0.1702","","","","","","1.122","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126850","15.496","0.0003","17.8919","0.0003","8.5454","0.0002","90","","97.664","0.002","90","","2348.07","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H11.3 N O2 -","- C15.5 H8 N O2 -","- C124 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0458","0.0426","","","0.118","0.12","","","","","","1.076","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126851","15.926","0.002","15.926","0.002","15.926","0.003","90","","90","","90","","4039.4","1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0475","0.0452","","","0.1234","0.1255","","","","","","1.088","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126852","12.4892","0.0011","7.3635","0.0006","18.9497","0.0017","90","","90","","90","","1742.7","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Wen, Chunxia; Zhong, Ronglin; Qin, Zengxin; Zhao, Mengfei; Li, Jizhen","Regioselective remote C5 cyanoalkoxylation and cyanoalkylation of 8-aminoquinolines with azobisisobutyronitrile.","Chemical communications (Cambridge, England)","2020","56","66","9529","9532","10.1039/d0cc00014k","","","0.71073","MoKα","","0.0526","0.0403","","","0.0896","0.0957","","","","","","1.049","","","","has coordinates","255988","2020-10-21","18:00:00",""
"7126853","7.1213","0.0002","9.6599","0.0003","24.5371","0.0008","90","","90","","90","","1687.93","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F6 N2 O S -","- C17 H12 F6 N2 O S -","- C68 H48 F24 N8 O4 S4 -","4","1","","Kosobokov, Mikhail D.; Zubkov, Mikhail O.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Dilman, Alexander D.","Fluoroalkyl sulfides as photoredox-active coupling reagents for alkene difunctionalization.","Chemical communications (Cambridge, England)","2020","56","66","9453","9456","10.1039/d0cc04617e","","","0.71073","MoKα","","0.0433","0.0338","","","0.0733","0.0784","","","","","","1.059","","","","has coordinates","255996","2020-10-21","18:00:00",""
"7126854","8.2319","0.0004","10.9599","0.0005","14.1131","0.0008","101.732","0.002","100.174","0.002","97.026","0.002","1210.44","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Cl2 O4 Pd Se2 -","- C56 H52 Cl2 O4 Pd Se2 -","- C56 H52 Cl2 O4 Pd Se2 -","1","0.5","","Meena, Neha; Sharma, Shobha; Bhatt, Ramprasad; Shinde, Vikki N.; Sunda, Anurag Prakash; Bhuvanesh, Nattamai; Kumar, Anil; Joshi, Hemant","A selenium-coordinated palladium(ii) trans-dichloride molecular rotor as a catalyst for site-selective annulation of 2-arylimidazo[1,2-a]pyridines.","Chemical communications (Cambridge, England)","2020","56","70","10223","10226","10.1039/d0cc03599h","","","0.71073","MoKα","","0.0352","0.0253","","","0.0491","0.0547","","","","","","1.06","","","","has coordinates","255947","2020-10-21","18:00:00",""
"7126855","11.805","0.0006","7.031","0.0003","24.4855","0.0011","90","","103.258","0.002","90","","1978.15","0.16","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 F N2 -","- C28 H19 F N2 -","- C112 H76 F4 N8 -","4","1","","Meena, Neha; Sharma, Shobha; Bhatt, Ramprasad; Shinde, Vikki N.; Sunda, Anurag Prakash; Bhuvanesh, Nattamai; Kumar, Anil; Joshi, Hemant","A selenium-coordinated palladium(ii) trans-dichloride molecular rotor as a catalyst for site-selective annulation of 2-arylimidazo[1,2-a]pyridines.","Chemical communications (Cambridge, England)","2020","56","70","10223","10226","10.1039/d0cc03599h","","","0.71073","MoKα","","0.0799","0.0451","","","0.093","0.1128","","","","","","1.053","","","","has coordinates","255947","2020-10-21","18:00:00",""
"7126856","46.8847","0.0019","4.9361","0.0002","11.2909","0.0005","90","","99.121","0.007","90","","2579.99","0.19","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C92 H80 N8 O4 S32 -","- C92 H80 N8 O4 S32 -","- C92 H80 N8 O4 S32 -","1","0.25","","Short, Jonathan I.; Blundell, Toby J.; Krivickas, Sara J.; Yang, Songjie; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee","Chiral molecular conductor with an insulator-metal transition close to room temperature.","Chemical communications (Cambridge, England)","2020","56","66","9497","9500","10.1039/d0cc04094k","","","0.71075","MoKα","","0.0515","0.0442","","","0.1289","0.1323","","","","","","1.143","","","","has coordinates,has disorder","255993","2020-10-21","18:00:00",""
"7126857","23.723","0.002","4.857","0.0005","11.6968","0.001","89.841","0.006","81.637","0.006","87.168","0.006","1331.8","0.2","300","","300","","","","","","","","","5","P 1","P 1","1","","","","- C46 H40 N4 O2 S16 -","- C46 H40 N4 O2 S16 -","- C46 H40 N4 O2 S16 -","1","1","","Short, Jonathan I.; Blundell, Toby J.; Krivickas, Sara J.; Yang, Songjie; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee","Chiral molecular conductor with an insulator-metal transition close to room temperature.","Chemical communications (Cambridge, England)","2020","56","66","9497","9500","10.1039/d0cc04094k","","","0.71075","MoKα","","0.1474","0.0997","","","0.2713","0.3145","","","","","","1.038","","","","has coordinates,has disorder","255993","2020-10-21","18:00:00",""
"7126858","8.056","0.003","10.787","0.003","6.0093","0.0018","90","","90","","90","","522.2","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.71073","MoKα","","0.0467","0.0303","","","0.0618","0.0658","","","","","","1.129","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126859","8.0286","0.0008","10.776","0.01","5.88","0.0005","90","","90","","90","","508.7","0.5","293","2","293","2","","","900000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.0715","0.0645","","","","0.2066","","","","","","1.107","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126860","7.9702","0.0008","10.714","0.009","5.6247","0.0004","90","","90","","90","","480.3","0.4","293","2","293","2","","","2750000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.0719","0.0672","","","","0.2069","","","","","","1.167","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126861","7.9478","0.0016","10.61","0.02","5.5058","0.0012","90","","90","","90","","464.3","0.9","293","2","293","2","","","4200000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.058","0.0443","","","","0.1222","","","","","","1.103","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126862","11.309","0.0004","11.309","0.0004","11.3065","0.0004","90","","90","","120","","1252.3","0.08","100","2","100.01","","","","","","","","","5","P 32","P 32","145","","","","- C16 H20 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C48 H63 Cl3 N6 O15 -","3","1","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","","1.54178","CuKα","","0.035","0.0347","","","0.0894","0.0898","","","","","","1.064","","","","has coordinates,has disorder","255973","2020-10-21","18:00:00",""
"7126863","7.2666","0.0005","14.444","0.0009","19.5127","0.0013","90","","90","","90","","2048","0.2","100","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl N2 O6 -","- C19 H29 Cl N2 O6 -","- C76 H116 Cl4 N8 O24 -","4","1","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","x-ray","1.54178","CuKα","","0.0215","0.0214","","","0.0566","0.0567","","","","","","1.046","","","","has coordinates","255973","2020-10-21","18:00:00",""
"7126864","12.6724","0.0019","19.811","0.003","20.784","0.003","90","","90","","90","","5217.9","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H36 Cl8 Mn N5 -","- C58 H36 Cl8 Mn N5 -","- C232 H144 Cl32 Mn4 N20 -","4","0.5","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","x-ray","0.71073","MoKα","","0.1039","0.1003","","","0.2313","0.2327","","","","","","1.362","","","","has coordinates,has disorder","255973","2020-10-21","18:00:00",""
"7126865","13.7045","0.0003","4.1406","0.0001","20.539","0.0004","90","","95.208","0.002","90","","1160.67","0.04","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C52 H40 Br4 N12 -","4","1","","Zhang, Chunyan; Zhao, Haowen; Li, Zehua; Liang, Zuyu; Qi, Shuo; Cai, Mingyu; Zhang, Sheng; Jia, Xiaofei; Zhang, Guoying; Hu, Mao-Lin","Rapid access to 3-aminoindazoles from nitriles with hydrazines: a strategy to overcome the basicity barrier imparted by hydrazines.","Chemical communications (Cambridge, England)","2020","56","66","9521","9524","10.1039/d0cc03789c","","x-ray","1.54184","CuKα","","0.0415","0.04","","","0.1084","0.1103","","","","","","1.05","","","","has coordinates","255994","2020-10-21","18:00:00",""
"7126866","14.261","0.0002","5.3923","0.0001","16.6024","0.0003","90","","112.37","0.002","90","","1180.64","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Ma, Ben; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Copper-catalysed ortho-selective C-H bond functionalization of phenols and naphthols with α-aryl-α-diazoesters.","Chemical communications (Cambridge, England)","2020","56","66","9485","9488","10.1039/d0cc04495d","","x-ray","1.54184","CuKα","","0.0363","0.0341","","","0.0895","0.0914","","","","","","1.02","","","","has coordinates","255982","2020-10-21","18:00:00",""
"7126867","36.191","0.009","23.761","0.006","15.011","0.004","90","","90","","90","","12908","6","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C73 H133 F8 N O29 Tb6 -","- C73 H133 F8 N O29 Tb6 -","- C292 H532 F32 N4 O116 Tb24 -","4","0.5","","Ling, Bo-Kai; Li, Junhao; Zhai, Yuan-Qi; Hsu, Hung-Kai; Chan, Yi-Tsu; Chen, Wei-Peng; Han, Tian; Zheng, Yan-Zhen","Terbium-fluorido cluster: an energy cage for photoluminescence.","Chemical communications (Cambridge, England)","2020","56","64","9130","9133","10.1039/d0cc02898c","","x-ray","0.71073","MoKα","","0.1386","0.098","","","0.2307","0.2646","","","","","","1.092","","","","has coordinates,has disorder","255966","2020-10-21","18:00:00",""
"7126868","13.0789","0.0003","23.272","0.0006","22.9115","0.0006","90","","98.181","0.0005","90","","6902.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H170 Ag7 Cu7 O24 P12 S24 -","- C72 H170 Ag7 Cu7 O24 P12 S24 -","- C144 H340 Ag14 Cu14 O48 P24 S48 -","2","0.5","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Hydride-encapsulated bimetallic clusters supported by 1,1-dithiolates.","Chemical communications (Cambridge, England)","2020","56","65","9300","9303","10.1039/d0cc03848b","","","0.71073","MoKα","","0.0325","0.0255","","","0.064","0.0679","","","","","","1.019","","","","has coordinates,has disorder","256026","2020-10-21","18:00:00",""
"7126869","13.1365","0.0003","23.3343","0.0005","22.8775","0.0005","90","","98.1499","0.0005","90","","6941.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H85 Ag3 Cu4 O12 P6 S12 -","- C36 H85 Ag3 Cu4 O12 P6 S12 -","- C144 H340 Ag12 Cu16 O48 P24 S48 -","4","1","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Hydride-encapsulated bimetallic clusters supported by 1,1-dithiolates.","Chemical communications (Cambridge, England)","2020","56","65","9300","9303","10.1039/d0cc03848b","","","0.71073","MoKα","","0.0404","0.0342","","","0.0931","0.0974","","","","","","1.024","","","","has coordinates","256026","2020-10-21","18:00:00",""
"7126870","17.659","0.011","11.39","0.008","12.836","0.008","90","","115.338","0.016","90","","2333","3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Co(Me3-TPADP)(N3)(OOC(CH3)3)](ClO4)","","","- C18 H33 Cl Co N7 O6 -","- C18 H33 Cl Co N7 O6 -","- C72 H132 Cl4 Co4 N28 O24 -","4","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.0449","0.0353","","","0.0993","0.109","","","","","","0.844","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126871","9.177","0.007","17.401","0.012","33.72","0.03","90","","90","","90","","5385","7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(Me3-TPDAP)(SCN)(OOtBu)](ClO4)","","","- C21 H36 Cl Co N6 O6 S -","- C21 H36 Cl Co N6 O6 S -","- C168 H288 Cl8 Co8 N48 O48 S8 -","8","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.1337","0.0771","","","0.1278","0.146","","","","","","1.133","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126872","12.353","0.004","23.359","0.005","16.581","0.005","90","","92.432","0.014","90","","4780","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(Me3-TPADP)(OOtBu)2](ClO4)2","","","- C50 H72 B Co N4 O5 -","- C50 H72 B Co N4 O5 -","- C200 H288 B4 Co4 N16 O20 -","4","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.0673","0.0432","","","0.1225","0.1387","","","","","","0.99","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126873","7.3092","0.0002","18.6978","0.0006","20.9767","0.0005","114.686","0.003","94.742","0.002","99.943","0.003","2527.02","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bridged-tetra-aryl-p-quinodimethane (BTAQ) radical cation","1?+?DDQ?‒","","- C59 H54 Cl4 N4 O7 -","- C59 H54 Cl4 N4 O7 -","- C118 H108 Cl8 N8 O14 -","2","1","","Harada, Mei; Tanioka, Masaru; Muranaka, Atsuya; Aoyama, Tetsuya; Kamino, Shinichiro; Uchiyama, Masanobu","A remarkably air-stable quinodimethane radical cation.","Chemical communications (Cambridge, England)","2020","56","66","9565","9568","10.1039/d0cc04025h","","x-ray","1.54184","CuKα","","0.104","0.0758","","","0.1832","0.1997","","","","","","1.097","","","","has coordinates,has disorder","255985","2020-10-21","18:00:00",""
"7126875","7.3935","0.0006","25.0493","0.0016","8.8978","0.0006","90","","111.188","0.008","90","","1536.5","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.0617","0.0492","","","0.122","0.1307","","","","","","1.09","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126876","4.9097","0.0006","20.9012","0.0019","16.8201","0.0014","90","","96.123","0.009","90","","1716.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","2","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.0641","0.0576","","","0.1515","0.1584","","","","","","1.076","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126877","6.8575","0.0003","17.6675","0.0007","29.0079","0.0011","90","","90","","90","","3514.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.054","0.0456","","","0.111","0.1178","","","","","","1.084","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126878","7.7307","0.0003","5.8517","0.0002","20.5811","0.0014","90","","92.53","0.007","90","","930.13","0.08","233","2","233","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-1-methoxy-4-(5-(2-(4-methoxyphenoxy)propan-2-yl)cyclopent-1-en-1-yl)benzene","","- C22 H26 O3 -","- C22 H26 O3 -","- C44 H52 O6 -","2","1","","Han, Xu; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud","Enantioselective gold(i)-catalyzed cyclization/intermolecular nucleophilic additions of 1,5-enyne derivatives.","Chemical communications (Cambridge, England)","2020","56","66","9457","9460","10.1039/d0cc00914h","","","1.54187","CuKα","","0.0382","0.0329","","","0.083","0.0912","","","","","","1.127","","","","has coordinates","255981","2020-10-21","18:00:00",""
"7126879","11.6796","0.0002","19.9722","0.0003","13.188","0.0002","90","","104.793","0.001","90","","2974.36","0.08","223.4","0.8","223.4","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl3 N O4 P4 Ru -","- C66 H56 Cl3 N O4 P4 Ru -","- C132 H112 Cl6 N2 O8 P8 Ru2 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0316","0.0305","","","0.0779","0.0788","","","","","","1.049","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126880","11.624","0.0002","19.9252","0.0002","13.1753","0.0002","90","","104.818","0.001","90","","2950.05","0.08","173","0.14","173","0.14","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl3 N O4 Os P4 -","- C66 H56 Cl3 N O4 Os P4 -","- C132 H112 Cl6 N2 O8 Os2 P8 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0257","0.0255","","","0.0661","0.0663","","","","","","1.044","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126881","13.891","0.0004","16.245","0.0004","6.9806","0.0002","90","","90","","90","","1575.24","0.07","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 F3 N O3 S -","- C16 H12 F3 N O3 S -","- C64 H48 F12 N4 O12 S4 -","4","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0371","0.0362","","","0.0943","0.0955","","","","","","1.041","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126882","13.0222","0.0004","14.4045","0.0005","19.6691","0.0006","79.101","0.001","71.46","0.001","85.621","0.001","3434.4","0.19","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C67 H56 Br Cl3 F3 N O3 Os P4 S -","- C67 H56 Br Cl3 F3 N O3 Os P4 S -","- C134 H112 Br2 Cl6 F6 N2 O6 Os2 P8 S2 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","0.71073","MoKα","","0.0485","0.0399","","","0.0982","0.1036","","","","","","1.03","","","","has coordinates,has disorder","255956","2020-10-21","18:00:00",""
"7126883","22.978","0.0008","16.4419","0.0006","36.9317","0.0013","90","","104","0.001","90","","13538.4","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 F6 N O8.5 P4 Ru S2 -","- C70 H66 F6 N O8.5 P4 Ru S2 -","- C560 H528 F48 N8 O68 P32 Ru8 S16 -","8","2","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54178","CuKα","","0.0976","0.0939","","","0.2618","0.2635","","","","","","1.089","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126884","23.062","0.0005","16.4101","0.0004","36.9903","0.0009","90","","104.016","0.001","90","","13582.2","0.6","213","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H62 F6 N O7.5 Os P4 S2 -","- C69 H62 F6 N O7.5 Os P4 S2 -","- C552 H496 F48 N8 O60 Os8 P32 S16 -","8","2","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54178","CuKα","","0.0924","0.0801","","","0.2347","0.2526","","","","","","1.156","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126885","9.9119","0.0001","14.4815","0.0002","21.9881","0.0003","90","","97.114","0.001","90","","3131.86","0.07","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Cl N5 O5 Ru -","- C35 H28 Cl N5 O5 Ru -","- C140 H112 Cl4 N20 O20 Ru4 -","4","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0395","0.0378","","","0.0983","0.0999","","","","","","1.0532","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126886","16.093","0.004","20.363","0.005","23.088","0.006","90","","90","","90","","7566","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(tBu2NNN)RuCl2(PPh3)","(tBu2NNN)RuCl2(PPh3)","","- C35 H42 Cl6 N3 P Ru -","- C35 H42 Cl6 N3 P Ru -","- C280 H336 Cl48 N24 P8 Ru8 -","8","1","","Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai","Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.","Chemical communications (Cambridge, England)","2020","56","68","9886","9889","10.1039/d0cc02884c","","","0.71073","MoKα","","0.2603","0.1091","","","0.2416","0.3385","","","","","","1.013","","","","has coordinates,has disorder","256018","2020-10-21","18:00:00",""
"7126887","9.9974","0.0005","38.806","0.004","13.9459","0.0007","90","","92.722","0.005","90","","5404.3","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(Bim2NNN)RuCl(PPh3)2]PF6","[(Bim2NNN)RuCl(PPh3)2]PF6","","- C55 H43 Cl F6 N5 P3 Ru -","- C55 H43 Cl F6 N5 P3 Ru -","- C220 H172 Cl4 F24 N20 P12 Ru4 -","4","1","","Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai","Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.","Chemical communications (Cambridge, England)","2020","56","68","9886","9889","10.1039/d0cc02884c","","","0.71073","MoKα","","0.1516","0.1203","","","0.2244","0.2418","","","","","","1.148","","","","has coordinates,has disorder","256018","2020-10-21","18:00:00",""
"7126888","7.4286","0.0004","7.2641","0.0003","17.1612","0.0008","90","","96.473","0.002","90","","920.15","0.08","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O2 S -","- C20 H16 Br N O2 S -","- C40 H32 Br2 N2 O4 S2 -","2","1","","Blay, Gonzalo; Castilla, Alvaro; Sanz, David; Sanz-Marco, Amparo; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective zinc-mediated conjugate alkynylation of saccharin-derived 1-aza-butadienes.","Chemical communications (Cambridge, England)","2020","56","66","9461","9464","10.1039/d0cc04221h","","","0.71073","MoKα","","0.0791","0.0451","","","0.1152","0.1343","","","","","","0.989","","","","has coordinates","255984","2020-10-21","18:00:00",""
"7126889","13.442","0.0011","9.42","0.0007","13.5862","0.0009","90","","108.526","0.008","90","","1631.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F2 N2 O2 Sn -","- C18 H12 F2 N2 O2 Sn -","- C72 H48 F8 N8 O8 Sn4 -","4","0.5","","Ki, Wooseok; Ngo, Kathleen; Ghosh, Phalguni; Averkiev, Boris; Reeves, Gordan T.; Ailes, Isaiah; Pemberton, Barry C.; Zhu, Kun; Li, Jing","Blue-shifted aggregation-induced enhancement of a Sn(iv) fluoride complex: the role of fluorine in luminescence enhancement.","Chemical communications (Cambridge, England)","2020","56","67","9648","9650","10.1039/d0cc03635h","","","0.71073","MoKα","","0.0384","0.0295","","","0.0667","0.0708","","","","","","1.001","","","","has coordinates","256030","2020-10-21","18:00:00",""
"7126890","20.5654","0.0006","12.3627","0.0003","20.3762","0.0006","90","","108.773","0.003","90","","4904.9","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H64 Co2 F6 N7 O6 P2 S2 -","- C41 H64 Co2 F6 N7 O6 P2 S2 -","- C164 H256 Co8 F24 N28 O24 P8 S8 -","4","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","x-ray","0.71073","MoKα","","0.0418","0.0378","","","0.1004","0.1024","","","","","","1.056","","","","has coordinates","256028","2020-10-21","18:00:00",""
"7126891","22.62","0.004","21.11","0.004","12.65","0.002","90","","115.833","0.005","90","","5436.8","1.7","100","","100","","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C97 H150 Co4 F8 N14 O6 P4 S2 -","- C97 H153 Co4 F8 N14 O6 P4 S2 -","- C194 H306 Co8 F16 N28 O12 P8 S4 -","2","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0387","0.0354","","","0.0892","0.0912","","","","","","1.023","","","","has coordinates,has disorder","256028","2020-10-21","18:00:00",""
"7126892","11.1401","0.0012","18.761","0.002","26.561","0.003","90","","90.032","0.006","90","","5551.2","1","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H75 Co2 F4 N6 O3 P S -","- C48 H75 Co2 F4 N6 O3 P S -","- C192 H300 Co8 F16 N24 O12 P4 S4 -","4","1","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0578","0.0496","","","0.1284","0.1335","","","","","","1.029","","","","has coordinates","256028","2020-10-21","18:00:00",""
"7126893","10.4664","0.0006","35.353","0.002","39.212","0.002","90","","90","","90","","14509.2","1.4","100","","100","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C136 H134 B2 Co4 F48 N14 P2 -","- C136 H134 B2 Co4 F48 N14 P2 -","- C544 H536 B8 Co16 F192 N56 P8 -","4","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0988","0.0692","","","0.1677","0.1885","","","","","","1.048","","","","has coordinates,has disorder","256028","2020-10-21","18:00:00",""
"7126894","7.2502","0.0002","16.1726","0.0004","13.4121","0.0003","90","","90","","90","","1572.63","0.07","303","2","303.28","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Pu Si6 -","- Cs2 O15 Pu Si6 -","- Cs8 O60 Pu4 Si24 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad","Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>.","Chemical communications (Cambridge, England)","2020","56","66","9501","9504","10.1039/d0cc02674c","","","0.71073","MoKα","","0.0289","0.0287","","","0.065","0.0651","","","","","","1.16","","","","has coordinates","255987","2020-10-21","18:00:00",""
"7126895","7.2565","0.0002","16.2451","0.0004","13.4354","0.0003","90","","90","","90","","1583.8","0.07","302","2","302.05","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ce Cs2 O15 Si6 -","- Ce Cs2 O15 Si6 -","- Ce4 Cs8 O60 Si24 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad","Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>.","Chemical communications (Cambridge, England)","2020","56","66","9501","9504","10.1039/d0cc02674c","","","0.71073","MoKα","","0.026","0.0258","","","0.0585","0.0586","","","","","","1.088","","","","has coordinates","255987","2020-10-21","18:00:00",""
"7126896","11.6345","0.0002","12.0011","0.0003","23.8695","0.0005","90","","90","","90","","3332.82","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","griseofulvin","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0289","0.0281","","","0.072","0.0726","","","","","","1.044","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126897","13.1669","0.0001","15.4955","0.0001","18.8598","0.0001","90","","90","","90","","3847.92","0.04","297.99","0.15","297.99","0.15","","","","","","","","5","P b c a","-P 2ac 2ab","61","Lorlatinib","","","- C21 H19 F N6 O2 -","- C21 H19 F N6 O2 -","- C168 H152 F8 N48 O16 -","8","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.05","0.0422","","","0.1231","0.1302","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126898","8.811","0.0001","9.661","0.0002","12.4893","0.0002","93.66","0.001","97.586","0.001","101.871","0.001","1026.74","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Gefitinib","","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0362","0.034","","","0.0908","0.0925","","","","","","1.089","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126899","15.2412","0.0004","10.1051","0.0003","14.0138","0.0004","90","","100.491","0.003","90","","2122.24","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","Crizotinib","","","- C21 H22 Cl2 F N5 O -","- C21 H22 Cl2 F N5 O -","- C84 H88 Cl8 F4 N20 O4 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0696","0.0617","","","0.1681","0.1754","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126900","8.8259","0.0001","15.2013","0.0002","12.9474","0.0001","90","","93.777","0.001","90","","1733.32","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitrendipine","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0819","0.0766","","","0.2034","0.2078","","","","","","1.054","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126901","11.812","0.0002","12.3827","0.0002","14.7603","0.0002","80.868","0.002","81.207","0.002","65.701","0.002","1933.49","0.06","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","Axitinib","","","- C44 H36 N8 O2 S2 -","- C44 H36 N8 O2 S2 -","- C88 H72 N16 O4 S4 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0604","0.0549","","","0.142","0.146","","","","","","1.108","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126902","8.6846","0.0001","10.3809","0.0002","10.5107","0.0002","113.566","0.002","97.751","0.001","96.767","0.001","845.09","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","Clotrimazole","","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C44 H34 Cl2 N4 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0434","0.0407","","","0.1025","0.1037","","","","","","1.112","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126903","10.6219","0.0004","10.4085","0.0004","14.78","0.0005","90","","94.879","0.003","90","","1628.13","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nifedipine","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0519","0.0471","","","0.1229","0.1269","","","","","","1.029","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126904","25.3104","0.0004","27.6509","0.0004","19.1485","0.0002","90","","96.126","0.001","90","","13324.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ciclopirox","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C576 H816 N48 O96 -","48","12","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","","1.54184","CuKα","","0.0978","0.0772","","","0.2011","0.2196","","","","","","1.019","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126905","12.9345","0.0002","6.0221","0.0001","34.8527","0.0008","90","","90","","90","","2714.78","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluconazole","","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0536","0.0485","","","0.1241","0.1275","","","","","","1.05","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126906","8.3221","0.0001","13.3053","0.0002","22.7527","0.0003","90","","90","","90","","2519.36","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Repaglinide","","","- C27 H36 N2 O4 -","- C27 H36 N2 O4 -","- C108 H144 N8 O16 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0404","0.037","","","0.0921","0.0938","","","","","","1.049","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126907","13.7626","0.0001","10.7276","0.0001","14.7835","0.0001","90","","104.3","0.001","90","","2115","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nimodipine","","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C84 H104 N8 O28 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0456","0.0447","","","0.1136","0.1143","","","","","","1.046","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126908","10.1427","0.0001","10.6044","0.0001","14.5141","0.0001","90","","90","","90","","1561.1","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Vildagliptin","","","- C17 H26 N3 O2 -","- C17 H25 N3 O2 -","- C68 H100 N12 O8 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.041","0.0384","","","0.0994","0.1027","","","","","","1.086","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126909","7.9234","0.0002","13.8743","0.0002","7.9286","0.0002","90","","114.547","0.002","90","","792.83","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin","","","- C4 H11 Cl N5 -","- C4 H11 Cl N5 -","- C16 H44 Cl4 N20 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0421","0.0394","","","0.1119","0.1132","","","","","","1.032","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126910","5.064","0.0001","10.0139","0.0001","16.4073","0.0001","89.882","0.001","85.865","0.001","80.538","0.001","818.524","0.019","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","Celecoxib","","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0374","0.0351","","","0.0885","0.0899","","","","","","1.067","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126911","11.2582","0.0003","6.5471","0.0001","11.26","0.0003","90","","95.949","0.002","90","","825.49","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0701","0.068","","","0.1821","0.1847","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126912","9.2173","0.0001","9.606","0.0002","10.8436","0.0002","69.959","0.002","87.197","0.001","69.501","0.002","842.09","0.03","99.97","0.11","99.97","0.11","","","","","","","","5","P -1","-P 1","2","Indomethacin","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C38 H32 Cl2 N2 O8 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0364","0.033","","","0.0823","0.0876","","","","","","1.111","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126913","7.0895","0.0001","9.2112","0.0001","11.5966","0.0001","90","","97.89","0.001","90","","750.122","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Paracetamol","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0433","0.0424","","","0.1125","0.1137","","","","","","1.125","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126914","10.6352","0.0001","14.3296","0.0001","10.8995","0.0001","90","","106.623","0.001","90","","1591.64","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gliclazide","","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0531","0.0514","","","0.1398","0.1415","","","","","","1.098","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126915","12.0936","0.0002","12.0624","0.0002","13.4258","0.0002","90","","116.167","0.002","90","","1757.8","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine","","","- C18 H19 Cl2 N O4 -","- C18 H19 Cl2 N O4 -","- C72 H76 Cl8 N4 O16 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0798","0.0782","","","0.1983","0.1997","","","","","","1.041","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126916","11.9152","0.0007","7.6328","0.0005","16.9893","0.0011","90","","93.025","0.006","90","","1542.96","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl2 N O2 S -","- C14 H17 Cl2 N O2 S -","- C56 H68 Cl8 N4 O8 S4 -","4","2","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","0.71073","MoKα","","0.0778","0.0615","","","0.1388","0.1485","","","","","","1.034","","","","has coordinates,has disorder","256013","2020-10-21","18:00:00",""
"7126917","8.2726","0.0002","8.1657","0.0002","20.9582","0.0009","90","","94.621","0.003","90","","1411.16","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H29 Br N2 O6 S -","- C29 H29 Br N2 O6 S -","- C58 H58 Br2 N4 O12 S2 -","2","1","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","0.71073","MoKα","","0.0485","0.0362","","","0.0655","0.0701","","","","","","1.04","","","","has coordinates","256013","2020-10-21","18:00:00",""
"7126918","11.8791","0.0003","12.8935","0.0003","14.4464","0.0003","90","","90","","90","","2212.66","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N4 O4 S -","- C22 H21 Cl N4 O4 S -","- C88 H84 Cl4 N16 O16 S4 -","4","1","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","1.54184","CuKα","","0.0399","0.0337","","","0.0761","0.0826","","","","","","1.072","","","","has coordinates","256013","2020-10-21","18:00:00",""
"7126919","13.9352","0.0004","23.768","0.0005","13.9594","0.0004","90","","113.163","0.003","90","","4250.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H44 Cl N7 O8 S -","- C44 H44 Cl N7 O8 S -","- C176 H176 Cl4 N28 O32 S4 -","4","2","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","1.54184","CuKα","","0.0647","0.045","","","0.0951","0.107","","","","","","1.018","","","","has coordinates,has disorder","256013","2020-10-21","18:00:00",""
"7126920","25.4396","0.0004","10.82292","0.00016","18.9442","0.0003","90","","111.485","0.0019","90","","4853.47","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O10 P2 W2 -","- C18 H14 O10 P2 W2 -","- C144 H112 O80 P16 W16 -","8","2","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","x-ray","1.54184","CuKα","","0.0525","0.0412","","","0.0989","0.1085","","","","","","1.042","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126921","15.924","0.005","15.924","0.005","9.853","0.003","90","","90","","90","","2498.5","1.3","300","2","300.13","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H8 O5 P W -","- C10 H8 O5 P W -","- C80 H64 O40 P8 W8 -","8","1","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","","0.71073","MoKα","","0.0898","0.0582","","","0.1022","0.1107","","","","","","1.121","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126922","10.8615","0.0002","14.1665","0.0002","17.7114","0.0003","90","","90.165","0.002","90","","2725.23","0.08","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O10 P2 W2 -","- C22 H20 O10 P2 W2 -","- C88 H80 O40 P8 W8 -","4","1","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","x-ray","1.54178","CuKα","","0.0585","0.0551","","","0.1493","0.1567","","","","","","1.048","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126923","12.1297","0.0004","17.3992","0.0006","18.9772","0.0007","87.053","0.003","85.059","0.003","74.342","0.003","3840.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Mo2 O8 P4 -","- C32 H40 Mo2 O8 P4 -","- C128 H160 Mo8 O32 P16 -","4","2","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","x-ray","1.54184","CuKα","","0.0575","0.0431","","","0.1147","0.1295","","","","","","1.027","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126924","10.694","0.002","14.115","0.003","14.216","0.003","108.316","0.0014","109.057","0.0011","101.581","0.003","1812.1","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 F3 I2 N4 -","- C35 H41 F3 I2 N4 -","- C70 H82 F6 I4 N8 -","2","1","","Torita, Koki; Haraguchi, Ryosuke; Morita, Yoshitsugu; Kemmochi, Satoshi; Komatsu, Teruyuki; Fukuzawa, Shin-Ichi","Lewis acid-base synergistic catalysis of cationic halogen-bonding-donors with nucleophilic counter anions.","Chemical communications (Cambridge, England)","2020","56","67","9715","9718","10.1039/d0cc04013d","","","0.71075","MoKα","","0.0401","0.0311","","","0.0868","0.0894","","","","","","1.036","","","","has coordinates","256027","2020-10-21","18:00:00",""
"7126925","12.9903","0.0004","14.2793","0.0005","15.5742","0.0006","74.072","0.003","66.275","0.003","86.862","0.003","2538.12","0.17","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H42 Cl6 Cu2 F6 N6 O8 S3 -","- C38 H42 Cl6 Cu2 F6 N6 O8 S3 -","- C76 H84 Cl12 Cu4 F12 N12 O16 S6 -","2","1","","Mangue, Jordan; Gondre, Clément; Pécaut, Jacques; Duboc, Carole; Ménage, Stéphane; Torelli, Stéphane","Controlled O<sub>2</sub> reduction at a mixed-valent (II,I) Cu<sub>2</sub>S core.","Chemical communications (Cambridge, England)","2020","56","67","9636","9639","10.1039/d0cc03987j","","","0.71073","MoKα","","0.0691","0.0426","","","0.1041","0.1091","","","","","","0.911","","","","has coordinates,has disorder","256031","2020-10-21","18:00:00",""
"7126926","8.123","0.002","14.145","0.002","18.726","0.002","90","","100.18","0.02","90","","2117.7","0.7","293","1","293","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromocarbonyl{hydrotris(3,5-dimethylpyrazol-1-yl)borato)tungsten(III)","","- C16 H22 B Br2 N6 O W -","- C16 H22 B Br2 N6 O W -","- C64 H88 B4 Br8 N24 O4 W4 -","4","1","","Thomas, Simon; Gable, Robert W.; Young, Charles G.","Synthesis and characterisation of fifteen-electron dihalo(carbonyl)tungsten(iii) complexes, Tp*WX<sub>2</sub>(CO) (X = Br, I).","Chemical communications (Cambridge, England)","2020","56","71","10349","10352","10.1039/d0cc04607h","","","0.71073","MoKα","","0.0884","0.0671","","","0.1699","0.1826","","","","","","1.106","","","","has coordinates,has disorder","255979","2020-10-21","18:00:00",""
"7126927","8.1399","0.0011","14.223","0.002","19.364","0.004","90","","99.627","0.014","90","","2210.3","0.6","293","1","293","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","carbonyl{hydrotris(3,5-dimethylpyrazol-1-yl)borato)diiodotungsten(III)","","- C16 H22 B I2 N6 O W -","- C16 H22 B I2 N6 O W -","- C64 H88 B4 I8 N24 O4 W4 -","4","1","","Thomas, Simon; Gable, Robert W.; Young, Charles G.","Synthesis and characterisation of fifteen-electron dihalo(carbonyl)tungsten(iii) complexes, Tp*WX<sub>2</sub>(CO) (X = Br, I).","Chemical communications (Cambridge, England)","2020","56","71","10349","10352","10.1039/d0cc04607h","","","0.71073","MoKα","","0.0903","0.0755","","","0.1799","0.1873","","","","","","1.187","","","","has coordinates,has disorder","255979","2020-10-21","18:00:00",""
"7126928","8.4803","0.0003","12.4172","0.0009","9.5901","0.0006","90","","90","","90","","1009.85","0.1","333","2","333","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C12 H24 Co N10 Na O -","- C12 H24 Co N10 Na O -","- C24 H48 Co2 N20 Na2 O2 -","2","0.25","","Xu, Wei-Jian; Zeng, Ying; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","A large room-temperature entropy change in a new hybrid ferroelastic with an unconventional bond-switching mechanism.","Chemical communications (Cambridge, England)","2020","56","69","10054","10057","10.1039/d0cc04092d","","","0.71073","MoKα","","0.0627","0.0494","","","0.1268","0.1346","","","","","","1.027","","","","has coordinates,has disorder","255958","2020-10-21","18:00:00",""
"7126929","8.3357","0.0002","12.4689","0.0003","18.5938","0.0004","90","","90.564","0.002","90","","1932.49","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Co N10 Na O -","- C12 H24 Co N10 Na O -","- C48 H96 Co4 N40 Na4 O4 -","4","1","","Xu, Wei-Jian; Zeng, Ying; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","A large room-temperature entropy change in a new hybrid ferroelastic with an unconventional bond-switching mechanism.","Chemical communications (Cambridge, England)","2020","56","69","10054","10057","10.1039/d0cc04092d","","","0.71073","MoKα","","0.0331","0.0276","","","0.07","0.0751","","","","","","1.075","","","","has coordinates","255958","2020-10-21","18:00:00",""
"7126930","13.6054","0.0009","13.9682","0.0009","15.6806","0.001","66.457","0.002","65.954","0.002","81.255","0.002","2494.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 F6 N6 O2 P Ru -","- C49 H39 F6 N6 O2 P Ru -","- C98 H78 F12 N12 O4 P2 Ru2 -","2","1","","Ballester, Francisco J.; Ortega, Enrique; Bautista, Delia; Santana, M. Dolores; Ruiz, José","Ru(ii) photosensitizers competent for hypoxic cancers via green light activation.","Chemical communications (Cambridge, England)","2020","56","71","10301","10304","10.1039/d0cc02417a","","","0.71073","MoKα","","0.0757","0.0515","","","0.1042","0.1134","","","","","","1.085","","","","has coordinates,has disorder","255977","2020-10-21","18:00:00",""
"7126931","10.111","0.002","11.154","0.002","15.896","0.004","90","","104.51","0.009","90","","1735.5","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cu N2 O4 -","- C18 H12 Cu N2 O4 -","- C72 H48 Cu4 N8 O16 -","4","1","","Kamakura, Yoshinobu; Hikawa, Arata; Yoshikawa, Hirofumi; Kosaka, Wataru; Miyasaka, Hitoshi; Tanaka, Daisuke","Coordination distortion induced water adsorption in hydrophobic flexible metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","64","9106","9109","10.1039/d0cc03772a","","","0.71075","MoKα","","0.1937","0.0918","","","0.1978","0.2758","","","","","","1.043","","","","has coordinates","255968","2020-10-21","18:00:00",""
"7126932","10.334","0.004","10.31","0.004","17.381","0.006","90","","104.83","0.006","90","","1790.1","1.2","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 S -","- C21 H16 N2 O2 S -","- C84 H64 N8 O8 S4 -","4","1","","Ansari, Mohd Yeshab; Swarnkar, Sumedha; Kumar, Atul","Stereoselective aminosulfonylation of alkynes: an approach to access (Z)-β-amino vinylsulfones.","Chemical communications (Cambridge, England)","2020","56","66","9561","9564","10.1039/d0cc03726e","","","0.71075","MoKα","","0.0811","0.0648","","","0.1447","0.1501","","","","","","0.866","","","","has coordinates","255983","2020-10-21","18:00:00",""
"7126933","6.5229","0.0016","20.072","0.005","10.299","0.003","90","","104.225","0.003","90","","1307.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Kurogi-Cr","[CrCl(dme)](CHSiMe3)(Cl)2","","- C15 H37 Cl4 Cr2 O4 Si -","- C12 H30 Cl4 Cr2 O4 Si -","- C24 H60 Cl8 Cr4 O8 Si2 -","2","1","","Murai, Masahito; Taniguchi, Ryuji; Kurogi, Takashi; Shunsuke, Moritani; Takai, Kazuhiko","Cyclization of 5-alkynones with chromium alkylidene equivalents generated in situ from gem-dichromiomethanes.","Chemical communications (Cambridge, England)","2020","56","67","9711","9714","10.1039/d0cc03986a","","","0.71075","MoKα","","0.0348","0.0298","","","0.0608","0.0626","","","","","","1.006","","","","has coordinates","256032","2020-10-21","18:00:00",""
"7126934","9.9121","0.0004","10.6798","0.0004","12.7892","0.0004","78.919","0.003","72.796","0.003","85.035","0.003","1268.53","0.08","124","2","124","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9.5 Br3 Dy O10 S3 -","- C15 H9.5 Br3 Dy O10 S3 -","- C30 H19 Br6 Dy2 O20 S6 -","2","1","","Benmansour, Samia; Hernández-Paredes, Antonio; Mondal, Arpan; López Martínez, Gustavo; Canet-Ferrer, Josep; Konar, Sanjit; Gómez-García, Carlos J","Slow relaxation of the magnetization, reversible solvent exchange and luminescence in 2D anilato-based frameworks.","Chemical communications (Cambridge, England)","2020","56","68","9862","9865","10.1039/d0cc03964k","","","0.71073","MoKα","","0.0332","0.03","","","0.073","0.0747","","","","","","1.053","","","","has coordinates","256011","2020-10-21","18:00:00",""
"7126935","10.0215","0.0005","13.4454","0.0006","19.4727","0.0009","90","","95.859","0.004","90","","2610.1","0.2","119.7","0.9","119.7","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br3 Dy N3 O9 -","- C18 H21 Br3 Dy N3 O9 -","- C72 H84 Br12 Dy4 N12 O36 -","4","1","","Benmansour, Samia; Hernández-Paredes, Antonio; Mondal, Arpan; López Martínez, Gustavo; Canet-Ferrer, Josep; Konar, Sanjit; Gómez-García, Carlos J","Slow relaxation of the magnetization, reversible solvent exchange and luminescence in 2D anilato-based frameworks.","Chemical communications (Cambridge, England)","2020","56","68","9862","9865","10.1039/d0cc03964k","","x-ray","0.71073","MoKα","","0.0876","0.0662","","","0.1603","0.1727","","","","","","1.123","","","","has coordinates","256011","2020-10-21","18:00:00",""
"7126936","9.0568","0.0004","10.2351","0.0004","10.916","0.0005","65.763","0.004","70.612","0.004","80.712","0.004","870","0.07","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","GL103","","- C9 H10 Br3 O12 Yb -","- C9 H10 Br3 O12 Yb -","- C18 H20 Br6 O24 Yb2 -","2","1","","Benmansour, Samia; Hernández-Paredes, Antonio; Mondal, Arpan; López Martínez, Gustavo; Canet-Ferrer, Josep; Konar, Sanjit; Gómez-García, Carlos J","Slow relaxation of the magnetization, reversible solvent exchange and luminescence in 2D anilato-based frameworks.","Chemical communications (Cambridge, England)","2020","56","68","9862","9865","10.1039/d0cc03964k","","","0.71073","MoKα","","0.0237","0.0224","","","0.0595","0.0608","","","","","","1.043","","","","has coordinates","256011","2020-10-21","18:00:00",""
"7126937","8.2617","0.0003","14.3435","0.0006","10.6028","0.0004","90","","98.182","0.001","90","","1243.66","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H12 F10 S2 Sn -","- C26 H12 F10 S2 Sn -","- C52 H24 F20 S4 Sn2 -","2","1","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0181","0.0171","","","0.0399","0.0402","","","","","","1.053","","","","has coordinates,has disorder","256015","2020-10-21","18:00:00",""
"7126938","11.5212","0.0004","12.1354","0.0005","9.7135","0.0003","90","","104.176","0.001","90","","1316.73","0.08","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H20 F6 S2 Sn -","- C28 H20 F6 S2 Sn -","- C56 H40 F12 S4 Sn2 -","2","0.5","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0305","0.0244","","","0.0496","0.0517","","","","","","1.083","","","","has coordinates,has disorder","256015","2020-10-21","18:00:00",""
"7126939","18.204","0.003","9.6686","0.0013","22.537","0.003","90","","112.803","0.013","90","","3656.7","1","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C38 H44 Br2 N2 S2 Sn -","- C38 H44 Br2 N2 S2 Sn -","- C152 H176 Br8 N8 S8 Sn4 -","4","0.5","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0432","0.0267","","","0.0457","0.0505","","","","","","1.067","","","","has coordinates","256015","2020-10-21","18:00:00",""
"7126940","9.5906","0.0005","19.6935","0.001","16.2093","0.0009","90","","95.607","0.002","90","","3046.8","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 F12 S2 Sn -","- C30 H18 F12 S2 Sn -","- C120 H72 F48 S8 Sn4 -","4","1","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0451","0.0349","","","0.0835","0.0905","","","","","","1.042","","","","has coordinates,has disorder","256015","2020-10-21","18:00:00",""
"7126941","9.8916","0.0008","10.1278","0.0008","14.6801","0.001","90","","98.829","0.003","90","","1453.23","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N3 O6 -","- C29 H37 N3 O6 -","- C58 H74 N6 O12 -","2","1","","Sadamitsu, Yuta; Saito, Kodai; Yamada, Tohru","Stereoselective amination via vinyl-silver intermediates derived from silver-catalyzed carboxylative cyclization of propargylamine.","Chemical communications (Cambridge, England)","2020","56","66","9517","9520","10.1039/d0cc02273j","","","0.71073","MoKα","","0.0396","0.0359","","","0.0875","0.0896","","","","","","1.347","","","","has coordinates","255990","2020-10-21","18:00:00",""
"7126942","9.6147","0.0002","12.4662","0.0003","12.8127","0.0003","92.315","0.001","106.443","0.001","104.289","0.001","1417.26","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H39 N3 O7 -","- C26 H39 N3 O7 -","- C52 H78 N6 O14 -","2","1","","Sadamitsu, Yuta; Saito, Kodai; Yamada, Tohru","Stereoselective amination via vinyl-silver intermediates derived from silver-catalyzed carboxylative cyclization of propargylamine.","Chemical communications (Cambridge, England)","2020","56","66","9517","9520","10.1039/d0cc02273j","","","0.71073","MoKα","","0.119","0.0758","","","0.2259","0.262","","","","","","1.449","","","","has coordinates","255990","2020-10-21","18:00:00",""
"7126943","10.6478","0.0012","3.6669","0.0005","18.5931","0.0018","90","","90.737","0.004","90","","725.9","0.15","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C3 H21 B2 N3 O12 -","- C3 H21 B2 N3 O12 -","- C6 H42 B4 N6 O24 -","2","1","","Deng, Yalan; Wang, Lei; Ge, Yuwei; Huang, Ling; Gao, Daojiang; Bi, Jian; Zou, Guohong","(NH<sub>4</sub>)<sub>3</sub>[B(OH)<sub>3</sub>]<sub>2</sub>(COOH)<sub>3</sub>: a graphite-like UV nonlinear optical material with a large birefringence <i>via</i> structural optimization.","Chemical communications (Cambridge, England)","2020","56","69","9982","9985","10.1039/d0cc01881c","","","0.71073","MoKα","","0.0424","0.0342","","","0.075","0.0793","","","","","","1.094","","","","has coordinates","255960","2020-10-21","18:00:00",""
"7126944","11.8308","0.0005","4.88","0.0002","12.3237","0.0006","90","","111.046","0.002","90","","664.04","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 Br O3 -","- C13 H15 Br O3 -","- C26 H30 Br2 O6 -","2","1","","Zhang, Yu-Long; Zhao, Zhen-Ni; Li, Wang-Lai; Li, Jing-Jie; Kalita, Subarna Jyoti; Schneider, Uwe; Huang, Yi-Yong","Catalytic asymmetric aldehyde prenylation and application in the total synthesis of (-)-rosiridol and (-)-bifurcadiol.","Chemical communications (Cambridge, England)","2020","56","69","10030","10033","10.1039/d0cc00367k","","","1.54178","CuKα","","0.071","0.0687","","","0.1703","0.1724","","","","","","1.059","","","","has coordinates","255965","2020-10-21","18:00:00",""
"7126945","6.5658","0.0002","10.3732","0.0003","13.065","0.0004","77.632","0.002","86.382","0.002","89.238","0.002","867.45","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl N5 O6 Pt -","- C15 H12 Cl N5 O6 Pt -","- C30 H24 Cl2 N10 O12 Pt2 -","2","1","","Norton, Amie E.; Abdolmaleki, Mahmood Karimi; Liang, Jiamin; Sharma, Malvika; Golsby, Robert; Zoller, Ann; Krause, Jeanette A.; Connick, William B.; Chatterjee, Sayandev","Phase transformation induced mechanochromism in a platinum salt: a tale of two polymorphs.","Chemical communications (Cambridge, England)","2020","56","70","10175","10178","10.1039/d0cc03436c","","","1.54178","CuKα","","0.0353","0.0333","","","0.0871","0.0887","","","","","","1.035","","","","has coordinates","255940","2020-10-21","18:00:00",""
"7126946","9.0638","0.0001","9.7744","0.0001","10.3917","0.0001","68.652","0.001","84.693","0.001","89.76","0.001","853.359","0.016","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl N5 O6 Pt -","- C15 H12 Cl N5 O6 Pt -","- C30 H24 Cl2 N10 O12 Pt2 -","2","1","","Norton, Amie E.; Abdolmaleki, Mahmood Karimi; Liang, Jiamin; Sharma, Malvika; Golsby, Robert; Zoller, Ann; Krause, Jeanette A.; Connick, William B.; Chatterjee, Sayandev","Phase transformation induced mechanochromism in a platinum salt: a tale of two polymorphs.","Chemical communications (Cambridge, England)","2020","56","70","10175","10178","10.1039/d0cc03436c","","","1.54178","CuKα","","0.0349","0.032","","","0.0795","0.0811","","","","","","1.05","","","","has coordinates","255940","2020-10-21","18:00:00",""
"7126947","11.5092","0.0014","10.5574","0.0012","35.527","0.004","90","","90","","90","","4316.8","0.9","120","2","120","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C31 H23 Cl2 F12 Fe N7 P2 -","- C31 H23 Cl2 F12 Fe N7 P2 -","- C124 H92 Cl8 F48 Fe4 N28 P8 -","4","0.5","","Fujisaki, Hiroto; Ishizuka, Tomoya; Shimoyama, Yoshihiro; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Selective catalytic 2e<sup>-</sup>-oxidation of organic substrates by an Fe<sup>II</sup> complex having an N-heterocyclic carbene ligand in water.","Chemical communications (Cambridge, England)","2020","56","68","9783","9786","10.1039/d0cc03289a","","","0.71073","MoKα","","0.0886","0.0687","","","0.1305","0.1375","","","","","","1.126","","","","has coordinates","256020","2020-10-21","18:00:00",""
"7126948","12.005","0.006","14.781","0.007","23.238","0.011","85.501","0.006","87.116","0.006","73.751","0.006","3945","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Cl4 Fe N6 O14 -","- C33 H36 Cl4 Fe N6 O14 -","- C132 H144 Cl16 Fe4 N24 O56 -","4","2","","Fujisaki, Hiroto; Ishizuka, Tomoya; Shimoyama, Yoshihiro; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Selective catalytic 2e<sup>-</sup>-oxidation of organic substrates by an Fe<sup>II</sup> complex having an N-heterocyclic carbene ligand in water.","Chemical communications (Cambridge, England)","2020","56","68","9783","9786","10.1039/d0cc03289a","","","0.71073","MoKα","","0.1695","0.0984","","","0.2155","0.2559","","","","","","1.021","","","","has coordinates,has disorder","256020","2020-10-21","18:00:00",""
"7126949","28.067","0.006","20.574","0.004","18.052","0.004","90","","97.215","0.007","90","","10342","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C93.64 H148.93 K2 N2 Ni3 O8 P2 Si4 -","- C95.732 H156 K2 N2 Ni3 O8 P2 Si4 -","- C382.928 H624 K8 N8 Ni12 O32 P8 Si16 -","4","0.5","","Shoshani, Manar M.; Agapie, Theodor","Ligand architecture for triangular metal complexes: a high oxidation state Ni<sub>3</sub> cluster with proximal metal arrangement.","Chemical communications (Cambridge, England)","2020","56","76","11279","11282","10.1039/d0cc03816d","","","0.71073","MoKα","","0.085","0.0562","","","0.1475","0.1755","","","","","","1.101","","","","has coordinates,has disorder","257249","2020-10-21","18:00:00",""
"7126950","25.101","0.009","30.772","0.012","18.538","0.007","90","","100.85","0.03","90","","14063","9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112.83 H176.5 Fe N2 Ni3 O7.47 P2 Si2.94 -","- C112.814 H176.442 Fe N2 Ni3 O7.469 P2 Si2.938 -","- C451.256 H705.768 Fe4 N8 Ni12 O29.876 P8 Si11.752 -","4","1","","Shoshani, Manar M.; Agapie, Theodor","Ligand architecture for triangular metal complexes: a high oxidation state Ni<sub>3</sub> cluster with proximal metal arrangement.","Chemical communications (Cambridge, England)","2020","56","76","11279","11282","10.1039/d0cc03816d","","","0.71073","MoKα","","0.1714","0.1338","","","0.2779","0.2968","","","","","","1.015","","","","has coordinates,has disorder","257249","2020-10-21","18:00:00",""
"7126951","11.712","0.002","11.717","0.002","17.423","0.003","90","","90","","90","","2390.9","0.7","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H25 N O8 -","- C25 H25 N O8 -","- C100 H100 N4 O32 -","4","1","","Yu, Yang; Wang, Xin-Yu; Peng, Ju-Yin; Liu, Tao; Zhao, Yu-Long","Copper-catalyzed cascade cyclization reaction of 3-aminocyclobutenones with electron-deficient internal alkynes: synthesis of fully substituted indoles.","Chemical communications (Cambridge, England)","2020","56","68","9815","9818","10.1039/d0cc00512f","","","1.54178","CuKα","","0.0399","0.0329","","","0.0733","0.077","","","","","","1.067","","","","has coordinates","256012","2020-10-21","18:00:00",""
"7126952","11.548","0.0004","22.1219","0.0007","22.729","0.0008","90","","90","","90","","5806.4","0.3","183","2","183.29","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 B2 F8 N4 Ni O10 -","- C50 H82 B2 F8 N4 Ni O10 -","- C200 H328 B8 F32 N16 Ni4 O40 -","4","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","1.54178","CuKα","","0.06","0.0549","","","0.1541","0.1605","","","","","","1.05","","","","has coordinates,has disorder","255957","2020-10-21","18:00:00",""
"7126953","67.83","0.1","8.284","0.008","8.771","0.013","90","","90.65","0.05","90","","4928","11","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H54 N6 O6 S2 -","- C52 H54 N6 O6 S2 -","- C208 H216 N24 O24 S8 -","4","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","0.71073","MoKα","","0.0587","0.0437","","","0.0983","0.1072","","","","","","1.038","","","","has coordinates","255957","2020-10-21","18:00:00",""
"7126954","12.795","0.0004","7.636","0.0002","13.0428","0.0004","90","","114.686","0.001","90","","1157.86","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N3 O2 S -","- C26 H27 N3 O2 S -","- C52 H54 N6 O4 S2 -","2","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","1.54178","CuKα","","0.0266","0.026","","","0.0687","0.0693","","","","","","1.045","","","","has coordinates","255957","2020-10-21","18:00:00",""
"7126955","6.8735","0.0001","8.7567","0.0001","31.8081","0.0004","90","","90","","90","","1914.5","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Hu, Jiadong; Gao, Yu-Qi; Xu, Dongyang; Chen, Le; Wen, Wen; Hou, Yi; Chen, Lu; Xie, Weiqing","Highly enantioselective addition of aliphatic aldehydes to 2-hydroxychalcone enabled by cooperative organocatalysts.","Chemical communications (Cambridge, England)","2020","56","69","10018","10021","10.1039/d0cc04424e","","","1.54178","CuKα","","0.0401","0.0363","","","0.0935","0.0965","","","","","","1.023","","","","has coordinates","255961","2020-10-21","18:00:00",""
"7126956","23.5752","0.0015","33.8217","0.0017","22.6177","0.0014","90","","101.29","0.002","90","","17685.3","1.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C179 H209 Cl3 N12 O52 -","- C179 H209 Cl3 N12 O52 -","- C716 H836 Cl12 N48 O208 -","4","1","","Wan, Kang; Gao, Shi-Chang; Fang, Xu; Xu, Meng-Yu; Yang, Yong; Xue, Min","Oxacalix[4]arene-bridged pillar[5]arene dimers: syntheses, planar chirality and construction of chiral rotaxanes.","Chemical communications (Cambridge, England)","2020","56","70","10155","10158","10.1039/d0cc04375c","","","0.71073","MoKα","","0.1179","0.0756","","","0.2027","0.2322","","","","","","1.035","","","","has coordinates","255939","2020-10-21","18:00:00",""
"7126957","14.4932","0.0011","21.9303","0.0016","24.2711","0.0018","85.199","0.002","74.81","0.002","83.34","0.002","7383.1","1","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C132 H158 Cl6 N4 O28 -","- C132 H158 Cl6 N4 O28 -","- C264 H316 Cl12 N8 O56 -","2","1","","Wan, Kang; Gao, Shi-Chang; Fang, Xu; Xu, Meng-Yu; Yang, Yong; Xue, Min","Oxacalix[4]arene-bridged pillar[5]arene dimers: syntheses, planar chirality and construction of chiral rotaxanes.","Chemical communications (Cambridge, England)","2020","56","70","10155","10158","10.1039/d0cc04375c","","","0.71073","MoKα","","0.1366","0.0898","","","0.2653","0.301","","","","","","1.054","","","","has coordinates","255939","2020-10-21","18:00:00",""
"7126958","10.1378","0.0003","10.9386","0.0003","23.3534","0.0006","87.576","0.002","85.907","0.002","86.452","0.002","2576.31","0.12","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 N4 O15 S2 -","- C54 H66 N4 O15 S2 -","- C108 H132 N8 O30 S4 -","2","1","","Li, Haidong; Duwald, Romain; Pascal, Simon; Voci, Silvia; Besnard, Céline; Bosson, Johann; Bouffier, Laurent; Lacour, Jérôme; Sojic, Neso","Near-infrared electrochemiluminescence in water through regioselective sulfonation of diaza [4] and [6]helicene dyes.","Chemical communications (Cambridge, England)","2020","56","68","9771","9774","10.1039/d0cc04156d","","x-ray","1.54184","CuKα","","0.0793","0.0664","","","0.186","0.1976","","","","","","1.043","","","","has coordinates,has disorder","256017","2020-10-21","18:00:00",""
"7126959","8.8126","0.0005","11.9355","0.0008","12.5355","0.0008","68.761","0.002","74.151","0.002","75.96","0.002","1166.97","0.13","100.09","","100.09","","","","","","","","","7","P -1","-P 1","2","","[C10Br10][As2F11]2","","- C10 As4 Br10 Cl4 F26 O8 S4 -","- C10 As4 Br10 Cl4 F26 O8 S4 -","- C10 As4 Br10 Cl4 F26 O8 S4 -","1","0.5","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","x-ray","0.71073","MoKα","","0.0319","0.0283","","","0.0601","0.0617","","","","","","0.987","","","","has coordinates,has disorder","256016","2020-10-21","18:00:00",""
"7126960","8.2289","0.0004","10.3003","0.0005","12.507","0.0006","97.189","0.002","107.491","0.002","111.379","0.002","908.04","0.08","100","","100","","","","","","","","","2","P -1","-P 1","2","","Hexachlorocyclopentadien","","- C5 Cl6 -","- C5 Cl6 -","- C20 Cl24 -","4","2","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","x-ray","0.71073","MoKα","","0.0244","0.0206","","","0.0515","0.0541","","","","","","1.056","","","","has coordinates","256016","2020-10-21","18:00:00",""
"7126961","8.5108","0.0005","7.1691","0.0004","21.9711","0.0011","90","","90","","90","","1340.56","0.13","103.68","","103.68","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hexabromocyclopentadien","","- C7 H3 Br6 N -","- C7 H3 Br6 N -","- C28 H12 Br24 N4 -","4","0.5","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","","0.71073","MoKα","","0.0491","0.0474","","","0.138","0.1392","","","","","","1.08","","","","has coordinates,has disorder","256016","2020-10-21","18:00:00",""
"7126962","9.8021","0.0004","19.9917","0.0008","12.0793","0.0005","90","","97.406","0.001","90","","2347.32","0.17","102.37","","102.37","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[C10Cl10][Sb3F16]2","","- C10 Cl12 F34 O4 S2 Sb6 -","- C10 Cl12 F34 O4 S2 Sb6 -","- C20 Cl24 F68 O8 S4 Sb12 -","2","0.5","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","x-ray","0.71073","MoKα","","0.0204","0.0195","","","0.0448","0.0451","","","","","","1.25","","","","has coordinates,has disorder","256016","2020-10-21","18:00:00",""
"7126963","16.4452","0.0003","18.9661","0.0003","19.6218","0.0003","90","","90","","90","","6120.07","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H57 N5 O21 Zn4 -","- C54 H57 N5 O21 Zn4 -","- C216 H228 N20 O84 Zn16 -","4","1","","Dodson, Ryan A.; Kalenak, Andre P.; Du Bois, Derek R.; Gill-Ljunghammer, Sasha L; Matzger, Adam J.","N,N-Diethyl-3-methylbenzamide (DEET) acts as a metal-organic framework synthesis solvent with phase-directing capabilities.","Chemical communications (Cambridge, England)","2020","56","69","9966","9969","10.1039/d0cc02741c","","","1.54184","CuKα","","0.0438","0.0408","","","0.1085","0.1109","","","","","","1.047","","","","has coordinates,has disorder","255962","2020-10-21","18:00:00",""
"7126964","11.1889","0.0012","15.6583","0.0016","11.3387","0.0012","90","","103.564","0.002","90","","1931.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F3 O7 S -","- C19 H19 F3 O7 S -","- C76 H76 F12 O28 S4 -","4","1","","Zhang, Da-Wei; Fan, Hui-Lan; Zhang, Wenzhao; Li, Cheng-Ji; Luo, Sanzhong; Qin, Hong-Bo","Collective enantioselective total synthesis of (+)-sinensilactam A, (+)-lingzhilactone B and (-)-lingzhiol: divergent reactivity of styrene.","Chemical communications (Cambridge, England)","2020","56","69","10066","10069","10.1039/d0cc04064a","","","0.71073","MoKα","","0.0498","0.0385","","","0.105","0.1123","","","","","","1.073","","","","has coordinates","255963","2020-10-21","18:00:00",""
"7126965","18.9306","0.0014","11.0428","0.0008","21.1989","0.0016","90","","114.695","0.001","90","","4026.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C176 H200 N8 O64 -","8","2","","Zhang, Da-Wei; Fan, Hui-Lan; Zhang, Wenzhao; Li, Cheng-Ji; Luo, Sanzhong; Qin, Hong-Bo","Collective enantioselective total synthesis of (+)-sinensilactam A, (+)-lingzhilactone B and (-)-lingzhiol: divergent reactivity of styrene.","Chemical communications (Cambridge, England)","2020","56","69","10066","10069","10.1039/d0cc04064a","","","0.71073","MoKα","","0.0842","0.0488","","","0.1096","0.1259","","","","","","1.006","","","","has coordinates","255963","2020-10-21","18:00:00",""
"7126966","10.6093","0.0009","11.4966","0.001","12.6556","0.0007","63.223","0.005","69.002","0.004","62.815","0.005","1203.04","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O -","- C29 H24 N4 O -","- C58 H48 N8 O2 -","2","1","","Maeda, Takeshi; Liess, Andreas; Kudzus, Astrid; Krause, Ana-Maria; Stolte, Matthias; Amitani, Hitoshi; Yagi, Shigeyuki; Fujiwara, Hideki; Würthner, Frank","Hydrogen bond-rigidified planar squaraine dye and its electronic and organic semiconductor properties.","Chemical communications (Cambridge, England)","2020","56","68","9890","9893","10.1039/d0cc04306k","","","1.54178","CuKα","","0.0465","0.041","","","0.1069","0.112","","","","","","1.022","","","","has coordinates","256014","2020-10-21","18:00:00",""
"7126967","10.041","0.0016","11.3867","0.0019","11.654","0.003","85.675","0.009","81.578","0.008","68.373","0.006","1225","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 F2 N4 O -","- C29 H22 F2 N4 O -","- C58 H44 F4 N8 O2 -","2","1","","Maeda, Takeshi; Liess, Andreas; Kudzus, Astrid; Krause, Ana-Maria; Stolte, Matthias; Amitani, Hitoshi; Yagi, Shigeyuki; Fujiwara, Hideki; Würthner, Frank","Hydrogen bond-rigidified planar squaraine dye and its electronic and organic semiconductor properties.","Chemical communications (Cambridge, England)","2020","56","68","9890","9893","10.1039/d0cc04306k","","","0.71075","MoKα","","","0.0444","","","","0.0543","","","","","","1.073","","","","has coordinates","256014","2020-10-21","18:00:00",""
"7126968","11.1507","0.0008","11.5156","0.0006","11.6809","0.0008","74.098","0.005","80.106","0.006","83.183","0.005","1416.99","0.16","100","1","100","1","","","","","","","synthesis as described","4","P -1","-P 1","2","2,2?,7,7?-tetrabromo-9,9?-spriosilabifluorene","2,2?,7,7?-tetrabromo-9,9?-spriosilabifluorene","","- C31 H20 Br4 Si -","- C31 H20 Br4 Si -","- C62 H40 Br8 Si2 -","2","1","","Nesmelov, Andrei; Lee, David; Bejger, Christopher; Kocherga, Margaret; Lyles, Zachary; Greenier, Madeline K.; Vitallo, Ashley Ariel; Kaouk, Ghallia; Jones, Daniel S.; Schmedake, Thomas A.","Accessing new microporous polyspirobifluorenes via a C/Si switch.","Chemical communications (Cambridge, England)","2020","56","68","9846","9849","10.1039/d0cc02767g","","x-ray","1.54184","CuKα","","0.0354","0.0326","","","0.0853","0.0877","","","","","","1.069","","","","has coordinates","256009","2020-10-21","18:00:00",""
"7126969","10.3068","0.0002","14.7409","0.0002","28.6394","0.0004","90","","90","","90","","4351.23","0.12","106","8","106","8","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene","3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene","","- C24 H12 Br4 Si -","- C24 H12 Br4 Si -","- C192 H96 Br32 Si8 -","8","1","","Nesmelov, Andrei; Lee, David; Bejger, Christopher; Kocherga, Margaret; Lyles, Zachary; Greenier, Madeline K.; Vitallo, Ashley Ariel; Kaouk, Ghallia; Jones, Daniel S.; Schmedake, Thomas A.","Accessing new microporous polyspirobifluorenes via a C/Si switch.","Chemical communications (Cambridge, England)","2020","56","68","9846","9849","10.1039/d0cc02767g","","x-ray","1.54182","CuKα","","0.0183","0.0177","","","0.0443","0.0446","","","","","","1.158","","","","has coordinates","256009","2020-10-21","18:00:00",""
"7126970","9.1674","0.0007","10.6202","0.0009","22.2091","0.0016","90","","90","","90","","2162.3","0.3","294.41","0.1","294.41","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H34 B2 Cl2 N4 -","- C17 H34 B2 Cl2 N4 -","- C68 H136 B8 Cl8 N16 -","4","1","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.0618","0.0431","","","0.0806","0.0924","","","","","","1.016","","","","has coordinates","256010","2020-10-21","18:00:00",""
"7126971","10.335","0.003","22.822","0.007","13.912","0.004","90","","102.15","0.03","90","","3207.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 B2 Cl2 N2 -","- C33 H48 B2 Cl2 N2 -","- C132 H192 B8 Cl8 N8 -","4","1","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.3834","0.0942","","","0.1076","0.1901","","","","","","0.897","","","","has coordinates,has disorder","256010","2020-10-21","18:00:00",""
"7126972","17.638","0.0016","17.638","0.0016","24.541","0.003","90","","90","","90","","7634.7","1.4","295","","295","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H56 B2 Cl2 N6 -","- C30 H56 B2 Cl2 N6 -","- C240 H448 B16 Cl16 N48 -","8","0.5","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.1142","0.0476","","","0.0887","0.1059","","","","","","0.934","","","","has coordinates,has disorder","256010","2020-10-21","18:00:00",""
"7126973","27.4699","0.0011","9.5594","0.0004","18.4011","0.0007","90","","129.344","0.002","90","","3736.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Ca F6 N8 O8 -","- C40 H30 Ca F6 N8 O8 -","- C160 H120 Ca4 F24 N32 O32 -","4","0.5","","Trautnitz, Markus F. K.; Haas, Tobias; Schubert, Hartmut; Seitz, Michael","Unexpected discovery of calcium cryptates with exceptional stability.","Chemical communications (Cambridge, England)","2020","56","68","9874","9877","10.1039/d0cc04050a","","","0.71073","MoKα","","0.1415","0.1028","","","0.256","0.2847","","","","","","0.97","","","","has coordinates","256019","2020-10-21","18:00:00",""
"7126974","27.2841","0.0009","9.7632","0.0003","17.9917","0.0005","90","","127.373","0.001","90","","3808.7","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Ca F6 N8 O10 S2 -","- C38 H30 Ca F6 N8 O10 S2 -","- C152 H120 Ca4 F24 N32 O40 S8 -","4","0.5","","Trautnitz, Markus F. K.; Haas, Tobias; Schubert, Hartmut; Seitz, Michael","Unexpected discovery of calcium cryptates with exceptional stability.","Chemical communications (Cambridge, England)","2020","56","68","9874","9877","10.1039/d0cc04050a","","","0.71073","MoKα","","0.0492","0.0438","","","0.1175","0.1211","","","","","","1.054","","","","has coordinates","256019","2020-10-21","18:00:00",""
"7126975","20.246","0.0009","15.263","0.0007","21.6226","0.001","90","","114.172","0.002","90","","6095.9","0.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H84 O10 S6 -","- C63 H84 O10 S6 -","- C252 H336 O40 S24 -","4","0.5","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.1489","0.1043","","","0.3368","0.3753","","","","","","1.354","","","","has coordinates,has disorder","255944","2020-10-21","18:00:00",""
"7126976","11.9926","0.0006","27.2154","0.0012","20.3121","0.0011","90","","93.071","0.003","90","","6620","0.6","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H74 Cl6 Hg O10 S6 -","- C59 H74 Cl6 Hg O10 S6 -","- C236 H296 Cl24 Hg4 O40 S24 -","4","1","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.0941","0.0583","","","0.1282","0.1453","","","","","","1.025","","","","has coordinates,has disorder","255944","2020-10-21","18:00:00",""
"7126977","15.5878","0.0002","20.0801","0.0003","24.7383","0.0004","90","","94.682","0.001","90","","7717.4","0.2","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C118 H147 Br12 Cl Hg6 N2 O20 S12 -","- C118 H147 Br12 Hg6 N2 O20 S12 -","- C236 H294 Br24 Hg12 N4 O40 S24 -","2","1","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.0673","0.0438","","","0.0718","0.0763","","","","","","1.014","","","","has coordinates","255944","2020-10-21","18:00:00",""
"7126978","20.1865","0.0004","15.1666","0.0003","22.7025","0.0004","90","","120.148","0.001","90","","6010.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H70 Hg I2 O10 S6 -","- C57 H70 Hg I2 O10 S6 -","- C228 H280 Hg4 I8 O40 S24 -","4","1","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.1095","0.0557","","","0.1518","0.1827","","","","","","1.065","","","","has coordinates,has disorder","255944","2020-10-21","18:00:00",""
"7126979","10.1079","0.0009","10.1079","0.0009","21.838","0.003","90","","90","","120","","1932.3","0.4","299","2","299","","","","","","","","","7","P 65","P 65","170","","","","- C8 H10 Br N O4 Pb S -","- C8 H10 Br N O4 Pb S -","- C48 H60 Br6 N6 O24 Pb6 S6 -","6","1","","Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan","Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","69","10078","10081","10.1039/d0cc04473c","","","0.71073","MoKα","","0.0221","0.021","","","0.0533","0.0539","","","","","","1.033","","","","has coordinates,has disorder","255959","2020-10-21","18:00:00",""
"7126980","10.0345","0.0009","10.0345","0.0009","21.669","0.002","90","","90","","120","","1889.6","0.3","296","2","296.15","","","","","","","","","7","P 61","P 61","169","","","","- C8 H10 Cl N O4 Pb S -","- C8 H10 Cl N O4 Pb S -","- C48 H60 Cl6 N6 O24 Pb6 S6 -","6","1","","Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan","Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","69","10078","10081","10.1039/d0cc04473c","","","0.71073","MoKα","","0.0301","0.0238","","","0.0444","0.0458","","","","","","1.009","","","","has coordinates,has disorder","255959","2020-10-21","18:00:00",""
"7126981","9.721","0.0019","14.384","0.003","17.153","0.003","88.5","0.03","86.85","0.03","77.08","0.03","2334","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62.5 Cl Li N11.5 O7 -","- C43 H62.5 Cl Li N11.5 O7 -","- C86 H125 Cl2 Li2 N23 O14 -","2","1","","Hong, Kyeong-Im; Kim, Hyeongcheol; Kim, Younghun; Choi, Moon-Gun; Jang, Woo-Dong","Strapped calix[4]pyrrole as a lithium salts selective receptor through separated ion-pair binding.","Chemical communications (Cambridge, England)","2020","56","72","10541","10544","10.1039/d0cc04809g","","","0.7","synchrotron","","0.0605","0.0526","","","0.1503","0.1559","","","","","","1.059","","","","has coordinates,has disorder","257276","2020-10-21","18:00:00",""
"7126982","37.5612","0.0003","37.5612","0.0003","37.5612","0.0003","90","","90","","90","","52993","0.7","175","2","175","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- H129 La9 O240 Si3 W44 -","- La9 O204 Si3 W44.0004 -","- La72 O1632 Si24 W352.003 -","8","0.0416667","","Liu, Jin-Hua; Lin, Li-Dan; Wang, Guo-Qiang; Li, Ling-Yun; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","All-inorganic open frameworks based on gigantic four-shell Ln@W<sub>8</sub>@Ln<sub>8</sub>@(SiW<sub>12</sub>)<sub>6</sub> clusters.","Chemical communications (Cambridge, England)","2020","56","71","10305","10308","10.1039/d0cc04070c","","","0.71073","MoKα","","0.0346","0.0319","","","0.09","0.0916","","","","","","1.099","","","","has coordinates","255978","2020-10-21","18:00:00",""
"7126983","27.6237","0.0008","27.6237","0.0008","27.6237","0.0008","90","","90","","90","","21078.8","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C30 H12 Eu3 N12 O19 -","- C30 H12 Eu3 N12 O19 -","- C240 H96 Eu24 N96 O152 -","8","0.0416667","","Cao, Wenqian; Xia, Tifeng; Cui, Yuanjing; Yu, Yang; Qian, Guodong","Lanthanide metal-organic frameworks with nitrogen functional sites for the highly selective and sensitive detection of NADPH.","Chemical communications (Cambridge, England)","2020","56","74","10851","10854","10.1039/d0cc04152a","","","0.71073","MoKα","","0.1184","0.0751","","","0.2001","0.2591","","","","","","1.257","","","","has coordinates","257266","2020-10-21","18:00:00",""
"7126984","20.717","0.002","31.9589","0.0011","34.5056","0.0008","90","","90","","90","","22846","2","150.04","0.1","150.04","0.1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C42 H40 N2 O16 Zr3 -","- C42 H40 N2 O16 Zr3 -","- C336 H320 N16 O128 Zr24 -","8","0.25","","Zhang, Xiurong; Fan, Weidong; Fu, Mingyue; Jiang, Weifeng; Lu, Kebin; Wang, Yutong; Sun, Daofeng","Optimizing zirconium metal-organic frameworks through steric tuning for efficient removal of Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Chemical communications (Cambridge, England)","2020","56","72","10513","10516","10.1039/d0cc04007j","","x-ray","1.54184","CuKα","","0.1198","0.0671","","","0.1597","0.1918","","","","","","0.911","","","","has coordinates,has disorder","257270","2020-10-21","18:00:00",""
"7126985","31.452","0.006","5.5892","0.0011","19.232","0.004","90","","90.16","0.03","90","","3380.8","1.2","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","","0.71073","MoKα","","0.0968","0.0649","","","0.1375","0.1525","","","","","","1.097","","","","has coordinates","255943","2020-10-21","18:00:00",""
"7126986","9.4995","0.0019","9.5604","0.0019","12.684","0.003","97.84","0.03","105.01","0.03","103.9","0.03","1055.5","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O9 -","- C23 H21 N O9 -","- C46 H42 N2 O18 -","2","1","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","","0.71073","MoKα","","0.0705","0.0498","","","0.1302","0.1436","","","","","","0.99","","","","has coordinates","255943","2020-10-21","18:00:00",""
"7126987","8.7393","0.0002","9.8405","0.0003","28.488","0.0006","80.848","0.002","87.645","0.002","69.047","0.002","2258.48","0.1","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O6 S -","- C23 H25 N O6 S -","- C92 H100 N4 O24 S4 -","4","2","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","x-ray","1.54184","CuKα","","0.0803","0.0766","","","0.2291","0.2315","","","","","","1.075","","","","has coordinates,has disorder","255943","2020-10-21","18:00:00",""
"7126988","6.0259","0.0012","12.569","0.003","12.93","0.003","115.34","0.03","93.96","0.03","100.21","0.03","859.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H N5 O S -","- C17 H21 N O5 S -","- C34 H42 N2 O10 S2 -","2","1","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","","0.71073","MoKα","","0.0834","0.0496","","","0.121","0.1615","","","","","","1.036","","","","has coordinates","255943","2020-10-21","18:00:00",""
"7126989","16.1306","0.001","16.6998","0.0011","18.3422","0.0012","74.727","0.003","77.311","0.003","65.227","0.003","4294","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H124 Cu4 F24 N12 P12 Pd2 -","- C164 H124 Cu4 F24 N12 P12 Pd2 -","- C164 H124 Cu4 F24 N12 P12 Pd2 -","1","0.5","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71073","MoKα","","0.1674","0.0835","","","0.182","0.2169","","","","","","1.044","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126990","18.207","0.002","26.995","0.004","28.766","0.004","73.564","0.004","86.988","0.004","72.007","0.004","12888","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C228 H160 Cl0 Cu4 F24 N24 Ni4 P12 -","- C228 H160 Cu4 F24 N24 Ni4 P12 -","- C456 H320 Cu8 F48 N48 Ni8 P24 -","2","1","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71073","MoKα","","0.1331","0.0946","","","0.2674","0.2957","","","","","","1.008","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126991","16.697","0.003","18.05","0.003","24.093","0.004","94.584","0.006","96.139","0.005","112.996","0.005","6587","2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H76 Cl0 Cu2 F0 N14 Ni2 P4 -","- C112 H76 Cu2 N14 Ni2 P4 -","- C224 H152 Cu4 N28 Ni4 P8 -","2","1","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71069","MoKα","","0.1086","0.0782","","","0.2169","0.2382","","","","","","1.038","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126992","9.9898","0.0005","12.0743","0.0006","12.2286","0.0005","117.238","0.002","103.019","0.002","98.413","0.002","1223.64","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 N6 Pd -","- C32 H18 N6 Pd -","- C64 H36 N12 Pd2 -","2","1","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71073","MoKα","","0.0323","0.0285","","","0.0667","0.0692","","","","","","1.031","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126993","8.5125","0.0001","16.338","0.0001","17.8809","0.0001","90","","90","","90","","2486.83","0.04","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Cai, Liu; Liu, Xiangshuai; Wang, Jie; Chen, Li; Li, Xin; Cheng, Jin-Pei","Enantioselective and regioselective aza-Friedel-Crafts reaction of electron-rich phenols with isatin-derived ketimines.","Chemical communications (Cambridge, England)","2020","56","71","10361","10364","10.1039/d0cc04966b","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0746","0.0751","","","","","","1.058","","","","has coordinates","255976","2020-10-21","18:00:00",""
"7126994","15.546","0.004","15.7344","0.0018","16.911","0.002","99.814","0.01","116.882","0.013","96.323","0.013","3552.1","1.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 F12 N8 O P2 Ru -","- C32 H31 F12 N8 O P2 Ru -","- C128 H124 F48 N32 O4 P8 Ru4 -","4","2","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.1368","0.0667","","","0.1234","0.1499","","","","","","1.043","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126995","12.725","0.004","12.889","0.004","15.603","0.005","113.141","0.012","91.774","0.015","117.69","0.01","2010.7","1.2","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 F12 N5 O3 P2 Ru -","- C38 H43 F12 N5 O3 P2 Ru -","- C76 H86 F24 N10 O6 P4 Ru2 -","2","1","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.0436","0.0333","","","0.0896","0.0921","","","","","","1.127","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126996","23.348","0.007","13.355","0.004","12.292","0.004","90","","90","","90","","3833","2","100","2","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H37 Cl6.39 N5 O2 Ru Sb -","- C35 H37 Cl6.3902 N5 O2 Ru Sb -","- C140 H148 Cl25.5608 N20 O8 Ru4 Sb4 -","4","0.5","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.048","0.041","","","0.0919","0.0955","","","","","","1.159","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126997","11.39","0.004","16.353","0.005","20.162","0.006","99.44","0.012","94.919","0.012","109.589","0.019","3450","2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H28 F4.65 N5 O4.18 P2 Ru -","- C30.5015 H28.003 F4.6515 N5 O4.1745 P1.99975 Ru -","- C122.006 H112.012 F18.606 N20 O16.698 P7.999 Ru4 -","4","2","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.1633","0.0882","","","0.2513","0.3014","","","","","","1.043","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126998","10.366","0.003","8.964","0.003","17.126","0.006","90","","90","","90","","1591.4","0.9","100","2","99.99","","","","","","","","","8","P m c 21","P 2c -2","26","","","","- C32 H31 Cl F6 N5 O P Ru -","- C32 H31 Cl F6 N5 O P Ru -","- C64 H62 Cl2 F12 N10 O2 P2 Ru2 -","2","0.5","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.0252","0.0237","","","0.0575","0.0584","","","","","","1.064","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126999","17.0775","0.0007","5.63423","0.0001","16.986","0.0004","90","","114.885","0.003","90","","1482.62","0.08","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H28 O12 Zr -","- C32 H28 O12 Zr -","- C64 H56 O24 Zr2 -","2","1","","Crosland, James M.; Corlett, Emily K.; Scapens, Dave; Guillou, Nathalie; Brown, Steven P.; Walton, Richard I.","Isolated zirconium centres captured from aqueous solution: the structure of zirconium mandelate revealed from NMR crystallography.","Chemical communications (Cambridge, England)","2020","56","70","10159","10162","10.1039/d0cc03647a","powder diffraction","","0.82445","X-raysynchrotron","","","","","","","","","0.017","16.95","","","","","","","has coordinates","255942","2020-10-21","18:00:00",""
"7127000","6.8868","0.0008","14.8106","0.0017","15.0914","0.0017","90","","90","","90","","1539.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 S2 -","- C14 H18 N4 S2 -","- C56 H72 N16 S8 -","4","1","","Bhunia, Supriya; Dolai, Anirban; Samanta, Subhas","Robust bi-directional photoswitching of thiomethyl substituted arylazopyrazoles under visible light.","Chemical communications (Cambridge, England)","2020","56","70","10247","10250","10.1039/d0cc04098c","","","0.71073","MoKα","","0.0371","0.0339","","","0.109","0.1148","","","","","","1.001","","","","has coordinates","255945","2020-10-21","18:00:00",""
"7127001","6.9549","0.0012","8.8714","0.0013","11.149","0.002","80.68","0.003","89.072","0.003","84.658","0.016","675.9","0.2","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N4 S -","- C13 H16 N4 S -","- C26 H32 N8 S2 -","2","1","","Bhunia, Supriya; Dolai, Anirban; Samanta, Subhas","Robust bi-directional photoswitching of thiomethyl substituted arylazopyrazoles under visible light.","Chemical communications (Cambridge, England)","2020","56","70","10247","10250","10.1039/d0cc04098c","","","0.71073","MoKα","","0.0811","0.0726","","","0.2084","0.2251","","","","","","1.065","","","","has coordinates","255945","2020-10-21","18:00:00",""
"7127002","7.793","0.0016","9.718","0.0019","10.297","0.002","99.54","0.03","107.52","0.03","109.15","0.03","671.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 N3 O2 -","- C15 H11 F2 N3 O2 -","- C30 H22 F4 N6 O4 -","2","1","","Zhang, Dong; Fang, Zheng; Cai, Jinlin; Liu, Chengkou; He, Wei; Duan, Jindian; Qin, Ning; Yang, Zhao; Guo, Kai","The copper(ii)-catalyzed and oxidant-promoted regioselective C-2 difluoromethylation of indoles and pyrroles.","Chemical communications (Cambridge, England)","2020","56","58","8119","8122","10.1039/d0cc03345f","","","0.71073","MoKα","","0.0754","0.0571","","","0.14","0.1569","","","","","","1.009","","","","has coordinates","254788","2020-10-21","18:00:00",""
"7127003","5.8051","0.0004","17.7416","0.0011","22.026","0.0014","90","","90.256","0.002","90","","2268.5","0.3","110","2","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B2 Co F8 N6 -","- C12 H18 B2 Co F8 N6 -","- C48 H72 B8 Co4 F32 N24 -","4","1","","Saber, Mohamed R.; Singh, Mukesh K.; Dunbar, Kim R.","Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes.","Chemical communications (Cambridge, England)","2020","56","60","8492","8495","10.1039/d0cc03238g","","x-ray","0.71073","MoKα","","0.1084","0.0834","","","0.1559","0.1646","","","","","","1.25","","","","has coordinates","254789","2020-10-21","18:00:00",""
"7127004","23.7142","0.001","24.8126","0.0005","26.7983","0.001","90","","108.122","0.004","90","","14986.2","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H70 Cl7 N8 O6 -","- C69 H56 N8 O6 -","- C552 H448 N64 O48 -","8","2","","Wong, Kevin Kei Gwan; Hoyas Pérez, Nadia; White, Andrew J. P.; Lewis, James E. M.","Self-assembly of a porous metallo-[5]rotaxane.","Chemical communications (Cambridge, England)","2020","56","72","10453","10456","10.1039/d0cc04780e","","","0.71073","MoKα","","0.1595","0.0728","","","0.1861","0.2263","","","","","","1.033","","","","has coordinates,has disorder","257272","2020-10-21","18:00:00",""
"7127005","10.2036","0.0001","14.4428","0.0001","19.7614","0.0001","79.654","0.001","84.51","0.001","75.81","0.001","2773.37","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 D12 N8 O15 -","- C56 H60 D12 N8 O15 -","- C112 H120 D24 N16 O30 -","2","1","","Butera, Roberto; Shrinidhi, Annadka; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Fourfold symmetric MCR's <i>via</i> the tetraisocyanide 1,3-diisocyano-2,2-bis(isocyanomethyl)propane.","Chemical communications (Cambridge, England)","2020","56","73","10662","10665","10.1039/d0cc04522e","","x-ray","1.54184","CuKα","","0.0506","0.046","","","0.1194","0.127","","","","","","1.076","","","","has coordinates","257235","2020-10-21","18:00:00",""
"7127006","8.3584","0.0006","8.3584","0.0006","6.7005","0.0009","90","","90","","90","","468.12","0.08","130","2","130","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C18 H16 N8 -","2","0.25","","Butera, Roberto; Shrinidhi, Annadka; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Fourfold symmetric MCR's <i>via</i> the tetraisocyanide 1,3-diisocyano-2,2-bis(isocyanomethyl)propane.","Chemical communications (Cambridge, England)","2020","56","73","10662","10665","10.1039/d0cc04522e","","x-ray","1.54184","CuKα","","0.0678","0.0665","","","0.1693","0.1706","","","","","","1.176","","","","has coordinates","257235","2020-10-21","18:00:00",""
"7127007","15.6151","0.0001","15.6151","0.0001","33.2923","0.0003","90","","90","","90","","8117.71","0.1","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C73 H96 F4 N8 O8 -","- C73 H96 F4 N8 O8 -","- C292 H384 F16 N32 O32 -","4","0.25","","Butera, Roberto; Shrinidhi, Annadka; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Fourfold symmetric MCR's <i>via</i> the tetraisocyanide 1,3-diisocyano-2,2-bis(isocyanomethyl)propane.","Chemical communications (Cambridge, England)","2020","56","73","10662","10665","10.1039/d0cc04522e","","x-ray","1.54184","CuKα","","0.0654","0.0636","","","0.1691","0.1703","","","","","","1.098","","","","has coordinates","257235","2020-10-21","18:00:00",""
"7127008","12.9054","0.0014","13.5536","0.0014","17.432","0.003","98.83","0.01","110.41","0.01","92.274","0.009","2809.5","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H69 Fe Ge2 N4 P5 -","- C47 H69 Fe Ge2 N4 P5 -","- C94 H138 Fe2 Ge4 N8 P10 -","2","1","","Yadav, Ravi; Goswami, Bhupendra; Simler, Thomas; Schoo, Christoph; Reichl, Stephan; Scheer, Manfred; Roesky, Peter W.","A bis(germylene) functionalized metal-coordinated polyphosphide and its isomerization.","Chemical communications (Cambridge, England)","2020","56","70","10207","10210","10.1039/d0cc03920a","","","0.71073","MoKα","","0.1253","0.0679","","","0.1597","0.1873","","","","","","1.03","","","","has coordinates,has disorder","255948","2020-10-21","18:00:00",""
"7127009","12.1225","0.001","14.174","0.002","16.7654","0.0017","84.679","0.01","79.665","0.007","83.291","0.01","2807","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H77 Fe Ge2 N4 P5 -","- C54 H77 Fe Ge2 N4 P5 -","- C108 H154 Fe2 Ge4 N8 P10 -","2","1","","Yadav, Ravi; Goswami, Bhupendra; Simler, Thomas; Schoo, Christoph; Reichl, Stephan; Scheer, Manfred; Roesky, Peter W.","A bis(germylene) functionalized metal-coordinated polyphosphide and its isomerization.","Chemical communications (Cambridge, England)","2020","56","70","10207","10210","10.1039/d0cc03920a","","","0.71073","MoKα","","0.0834","0.0396","","","0.0748","0.0854","","","","","","1.016","","","","has coordinates,has disorder","255948","2020-10-21","18:00:00",""
"7127010","11.8994","0.0007","16.0639","0.0009","24.3083","0.0014","90","","104.102","0.002","90","","4506.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","17330; 1, LSnFeN2","","","- C43 H70 Fe N6 O P3 Sn -","- C43 H70 Fe N6 O P3 Sn -","- C172 H280 Fe4 N24 O4 P12 Sn4 -","4","1","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.0346","0.0257","","","0.0538","0.0583","","","","","","1.003","","","","has coordinates","257260","2020-10-21","18:00:00",""
"7127011","13.6945","0.0008","13.6945","0.0008","18.3276","0.0011","90","","90","","120","","2976.7","0.3","123","2","123","2","","","","","","","","7","P 63","P 6c","173","17092; (THF)3LiSnL","","","- C55 H92 Li N4 O4 P3 Sn -","- C54.9996 H91.9992 Li N4 O3.9999 P3 Sn -","- C109.999 H183.998 Li2 N8 O7.9998 P6 Sn2 -","2","0.333333","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.082","0.0537","","","0.1196","0.1326","","","","","","1.091","","","","has coordinates,has disorder","257260","2020-10-21","18:00:00",""
"7127012","19.5107","0.0009","10.8907","0.0006","21.8866","0.001","90","","90","","90","","4650.6","0.4","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","19031; 2, K[LSnFeN2]","","","- C43 H68 Fe K N6 O P3 Sn -","- C43 H68 Fe K N6 O P3 Sn -","- C172 H272 Fe4 K4 N24 O4 P12 Sn4 -","4","1","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.0638","0.0469","","","0.0705","0.0746","","","","","","1.045","","","","has coordinates","257260","2020-10-21","18:00:00",""
"7127013","11.4678","0.0013","21.538","0.002","19.703","0.002","90","","96.834","0.004","90","","4831.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","LSnFeNNSiMe3(3),18198","","","- C88 H148 Fe2 N12 O P6 Si2 Sn2 -","- C88 H148 Fe2 N12 O P6 Si2 Sn2 -","- C176 H296 Fe4 N24 O2 P12 Si4 Sn4 -","2","0.5","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.0697","0.0442","","","0.074","0.0812","","","","","","1.055","","","","has coordinates,has disorder","257260","2020-10-21","18:00:00",""
"7127014","4.7107","0.0012","10.021","0.002","27.643","0.006","90","","94.105","0.011","90","","1301.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O S -","- C16 H14 O S -","- C64 H56 O4 S4 -","4","1","","Sangeetha, Subramani; Sekar, Govindasamy","Copper-catalyzed double C-S bond formation for the synthesis of 2-acyldihydrobenzo[<i>b</i>]thiophenes and 2-acylbenzo[<i>b</i>]thiophenes.","Chemical communications (Cambridge, England)","2020","56","74","10906","10909","10.1039/d0cc04647g","","","0.71073","MoKα","","0.1021","0.0694","","","0.1849","0.2109","","","","","","1.094","","","","has coordinates","257268","2020-10-21","18:00:00",""
"7127015","13.9604","0.0009","5.9708","0.0003","16.2069","0.0009","90","","113.622","0.0018","90","","1237.73","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C56 H40 O8 S8 -","4","1","","Sangeetha, Subramani; Sekar, Govindasamy","Copper-catalyzed double C-S bond formation for the synthesis of 2-acyldihydrobenzo[<i>b</i>]thiophenes and 2-acylbenzo[<i>b</i>]thiophenes.","Chemical communications (Cambridge, England)","2020","56","74","10906","10909","10.1039/d0cc04647g","","","0.71073","MoKα","","0.0564","0.0462","","","0.1248","0.1328","","","","","","1.148","","","","has coordinates","257268","2020-10-21","18:00:00",""
"7127016","16.0517","0.0003","12.69","0.0002","11.0788","0.0002","90","","90","","90","","2256.71","0.07","293","2","293","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C7 H13 Ni1.5 S4 -","- C7 H13 Ni1.5 S4 -","- C56 H104 Ni12 S32 -","8","1","","Pieri, Cyril; Bhattacharjee, Anirban; Barrozo, Alexandre; Faure, Bruno; Giorgi, Michel; Fize, Jennifer; Réglier, Marius; Field, Martin; Orio, Maylis; Artero, Vincent; Hardré, Renaud","Hydrogen evolution reaction mediated by an all-sulfur trinuclear nickel complex.","Chemical communications (Cambridge, England)","2020","56","75","11106","11109","10.1039/d0cc04174b","","x-ray","0.71073","MoKα","","0.0371","0.0262","","","0.0483","0.0531","","","","","","1.049","","","","has coordinates","257253","2020-10-21","18:00:00",""
"7127017","10.4684","0.0019","12.28","0.002","45.879","0.008","90","","90","","90","","5897.8","1.8","262","2","262","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H56 Cl2 N6 O10 -","- C64 H56 Cl2 N6 O12 -","- C256 H224 Cl8 N24 O48 -","4","1","","Mei, Ming-Shun; Wang, Yu-Hui; Hu, Qing; Li, Qing-Hua; Shi, Da-Yu; Gao, Dingding; Ge, Guangbo; Lin, Guo-Qiang; Tian, Ping","Enantioselective [3+2] annulation of isatin-derived MBH-carbonates and 3-nitroindoles enabled by a bifunctional DMAP-thiourea.","Chemical communications (Cambridge, England)","2020","56","73","10718","10721","10.1039/d0cc04462h","","","1.54178","cukα","","0.0459","0.0427","","","0.1105","0.1143","","","","","","1.023","","","","has coordinates","257236","2020-10-21","18:00:00",""
"7127018","10.4627","0.0013","10.6763","0.0014","29.015","0.004","90","","90","","90","","3241.1","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Br N4 O4 S -","- C36 H29 Br N4 O4 S -","- C144 H116 Br4 N16 O16 S4 -","4","1","","Wei, Shiqiang; Bao, Xiaoze; Wang, Wenyao; Nawaz, Shah; Dai, Qimin; Qu, Jingping; Wang, Baomin","Enantioselective construction of dispirotriheterocycles featuring a 4-aminopyrazolone motif through a cascade Michael/cyclization process.","Chemical communications (Cambridge, England)","2020","56","73","10690","10693","10.1039/d0cc04215c","","","0.71073","MoKα","","0.0425","0.0328","","","0.0689","0.072","","","","","","0.829","","","","has coordinates","257234","2020-10-21","18:00:00",""
"7127019","7.7291","0.0003","9.3482","0.0004","10.1754","0.0004","90","","97.481","0.004","90","","728.95","0.05","143","2","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 F6 N2 Sb -","- C2 H5 F6 N2 Sb -","- C8 H20 F24 N8 Sb4 -","4","1","","Cantin, Thomas; Morgenstern, Yvonne; Mingot, Agnès; Kornath, Andreas; Thibaudeau, Sébastien","Evidence and exploitation of dicationic ammonium-nitrilium superelectrophiles: direct synthesis of unsaturated piperidinones.","Chemical communications (Cambridge, England)","2020","56","75","11110","11113","10.1039/d0cc02910f","","","0.71073","MoKα","","0.0379","0.0317","","","0.0637","0.0663","","","","","","1.178","","","","has coordinates","257262","2020-10-21","18:00:00",""
"7127020","14.8174","0.0008","10.5692","0.0008","15.649","0.0009","90","","90","","90","","2450.8","0.3","143","2","143","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 F13 N2 Sb2 -","- C2 H7 F13 N2 Sb2 -","- C16 H56 F104 N16 Sb16 -","8","1","","Cantin, Thomas; Morgenstern, Yvonne; Mingot, Agnès; Kornath, Andreas; Thibaudeau, Sébastien","Evidence and exploitation of dicationic ammonium-nitrilium superelectrophiles: direct synthesis of unsaturated piperidinones.","Chemical communications (Cambridge, England)","2020","56","75","11110","11113","10.1039/d0cc02910f","","","0.71073","MoKα","","0.0397","0.0298","","","0.0657","0.0701","","","","","","1.016","","","","has coordinates","257262","2020-10-21","18:00:00",""
"7127021","14.5681","0.0004","14.6511","0.0005","19.9842","0.0006","83.154","0.003","84.459","0.002","61.176","0.003","3706.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc4C2@C80/NiOEP/CS2","","","- C119 H44 N4 Ni S2 Sc4 -","- C119 H44 N4 Ni S2 Sc4.001 -","- C238 H88 N8 Ni2 S4 Sc8.002 -","2","1","","Nie, Mingzhe; Meng, Haibing; Zhao, Chong; Lu, Yuxi; Zhang, Jie; Feng, Lai; Wang, Chunru; Wang, Taishan","Crystallographic evidence and spin activation for the Russian-doll-type metallofullerene Sc<sub>4</sub>C<sub>2</sub>@C<sub>80</sub>.","Chemical communications (Cambridge, England)","2020","56","74","10879","10882","10.1039/d0cc04496b","","","0.71073","MoKα","","0.13","0.1158","","","0.3217","0.3366","","","","","","1.041","","","","has coordinates,has disorder","257265","2020-10-21","18:00:00",""
"7127022","6.5732","0.0004","12.3258","0.0006","22.4447","0.0013","105.598","0.002","93.439","0.002","93.704","0.002","1742.17","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C72 H56 Br8 O16 -","4","2","","Li, Mingrui; Sun, Yiming; Xie, Yuxing; Yu, Yang; Huang, Fei; Huang, He","Copper-catalyzed carbene insertion and ester migration for the synthesis of polysubstituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","75","11050","11053","10.1039/d0cc04157b","","","0.71073","MoKα","","0.0594","0.0376","","","0.0865","0.0969","","","","","","1.02","","","","has coordinates","257261","2020-10-21","18:00:00",""
"7127023","7.8574","0.0003","10.1476","0.0003","13.2472","0.0004","73.398","0.001","88.834","0.001","80.053","0.001","996.53","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C50 H42 N2 O4 -","2","1","","Li, Mingrui; Sun, Yiming; Xie, Yuxing; Yu, Yang; Huang, Fei; Huang, He","Copper-catalyzed carbene insertion and ester migration for the synthesis of polysubstituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","75","11050","11053","10.1039/d0cc04157b","","","0.71073","MoKα","","0.0526","0.0426","","","0.106","0.1151","","","","","","1.005","","","","has coordinates","257261","2020-10-21","18:00:00",""
"7127024","45.648","0.005","14.2377","0.0016","25.141","0.003","90","","93.2134","0.0016","90","","16314","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H99 K3 N3 O18 Pb11 Ru -","- C49 H99.002 K3 N3 O18 Pb11 Ru -","- C392 H792.016 K24 N24 O144 Pb88 Ru8 -","8","1","","Li, Ai-Min; Wang, Yi; Zavalij, Peter Y.; Chen, Fu; Muñoz-Castro, Alvaro; Eichhorn, Bryan W.","[Cp*RuPb<sub>11</sub>]<sup>3-</sup> and [Cu@Cp*RuPb<sub>11</sub>]<sup>2-</sup>: centered and non-centered transition-metal substituted zintl icosahedra.","Chemical communications (Cambridge, England)","2020","56","74","10859","10862","10.1039/d0cc03656k","","","0.71073","MoKα","","0.0829","0.0433","","","0.098","0.1161","","","","","","0.946","","","","has coordinates,has disorder","257269","2020-10-21","18:00:00",""
"7127025","13.18","0.0009","13.185","0.0009","20.7259","0.0014","92.8432","0.0011","104.274","0.0011","102.191","0.001","3392.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H150 Cu2 K4 O24 Pb22 Ru2 -","- C89 H150 Cu2 K4 O24 Pb22 Ru2 -","- C89 H150 Cu2 K4 O24 Pb22 Ru2 -","1","0.5","","Li, Ai-Min; Wang, Yi; Zavalij, Peter Y.; Chen, Fu; Muñoz-Castro, Alvaro; Eichhorn, Bryan W.","[Cp*RuPb<sub>11</sub>]<sup>3-</sup> and [Cu@Cp*RuPb<sub>11</sub>]<sup>2-</sup>: centered and non-centered transition-metal substituted zintl icosahedra.","Chemical communications (Cambridge, England)","2020","56","74","10859","10862","10.1039/d0cc03656k","","","0.71073","MoKα","","0.083","0.0346","","","0.0517","0.0552","","","","","","0.956","","","","has coordinates,has disorder","257269","2020-10-21","18:00:00",""
"7127026","9.9499","0.0004","9.6309","0.0004","27.2708","0.0011","90","","93.901","0.007","90","","2607.21","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O6 S2 -","- C30 H26 N2 O6 S2 -","- C120 H104 N8 O24 S8 -","4","1","","Takeda, Takashi; Akutagawa, Tomoyuki","Conformation change significantly affected the optical and electronic properties of arylsulfonamide-substituted anthraquinones.","Chemical communications (Cambridge, England)","2020","56","72","10564","10567","10.1039/d0cc04611f","","","1.54187","CuKα","","0.0797","0.0615","","","0.1793","0.2112","","","","","","1.058","","","","has coordinates","257275","2020-10-21","18:00:00",""
"7127027","52.9762","0.0019","15.1879","0.0005","13.2","0.0005","90","","102.745","0.007","90","","10359","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl6 N2 O6 S2 -","- C32 H28 Cl6 N2 O6 S2 -","- C384 H336 Cl72 N24 O72 S24 -","12","1.5","","Takeda, Takashi; Akutagawa, Tomoyuki","Conformation change significantly affected the optical and electronic properties of arylsulfonamide-substituted anthraquinones.","Chemical communications (Cambridge, England)","2020","56","72","10564","10567","10.1039/d0cc04611f","","","1.54187","CuKα","","0.0677","0.0541","","","0.1456","0.1561","","","","","","1.069","","","","has coordinates","257275","2020-10-21","18:00:00",""
"7127028","14.697","0.008","5.79","0.003","14.578","0.008","90","","104.759","0.019","90","","1199.6","1.1","281","2","281","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F -","- C16 H15 F -","- C64 H60 F4 -","4","1","","Gu, Yichao; Sun, Xueliang; Wan, Bin; Lu, Zhuoer; Zhang, Yanghui","C(sp<sup>3</sup>)-H activation-enabled cross-coupling of two aryl halides: an approach to 9,10-dihydrophenanthrenes.","Chemical communications (Cambridge, England)","2020","56","74","10942","10945","10.1039/d0cc04602g","","","0.71073","MoKα","","0.0756","0.057","","","0.1493","0.1688","","","","","","1.035","","","","has coordinates","257267","2020-10-21","18:00:00",""
"7127029","10.8043","0.001","20.7436","0.0017","12.2725","0.0011","90","","101.419","0.009","90","","2696.1","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br1.08 Cl4.92 Fe2 N2 O12 -","- C42 H56 Br1.08 Cl4.92 Fe2 N2 O12 -","- C84 H112 Br2.16 Cl9.84 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1359","0.0796","","","0.1517","0.1734","","","","","","1.117","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127030","20.2837","0.0008","21.7936","0.0007","14.4042","0.0006","90","","108.042","0.004","90","","6054.4","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br1.08 Cl4.92 Fe2 N2 O15 -","- C48 H68 Br1.08 Cl4.92 Fe2 N2 O15 -","- C192 H272 Br4.32 Cl19.68 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1758","0.0815","","","0.1769","0.2207","","","","","","1.014","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127031","10.8837","0.001","20.7386","0.0013","12.3417","0.0011","90","","101.41","0.009","90","","2730.6","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br2.12 Cl3.88 Fe2 N2 O12 -","- C42 H56 Br2.1178 Cl3.8822 Fe2 N2 O12 -","- C84 H112 Br4.2356 Cl7.7644 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1544","0.101","","","0.2087","0.2303","","","","","","1.169","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127032","10.9142","0.0005","20.5604","0.0009","12.3173","0.0005","90","","101.617","0.004","90","","2707.4","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br3.88 Cl2.12 Fe2 N2 O12 -","- C42 H56 Br3.88 Cl2.12 Fe2 N2 O12 -","- C84 H112 Br7.76 Cl4.24 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0964","0.0548","","","0.0929","0.1056","","","","","","1.071","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127033","20.3278","0.0004","21.7798","0.0003","14.4219","0.0003","90","","107.935","0.002","90","","6074.8","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br2.12 Cl3.88 Fe2 N2 O15 -","- C48 H68 Br2.12 Cl3.88 Fe2 N2 O15 -","- C192 H272 Br8.48 Cl15.52 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0535","0.0383","","","0.099","0.1071","","","","","","1.054","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127034","20.4745","0.0006","21.8256","0.0005","14.444","0.0004","90","","107.895","0.003","90","","6142.3","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br3.91 Cl2.09 Fe2 N2 O15 -","- C48 H68 Br3.9102 Cl2.0898 Fe2 N2 O15 -","- C192 H272 Br15.6408 Cl8.3592 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0731","0.0484","","","0.1164","0.1273","","","","","","1.057","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127035","10.7693","0.0007","20.6834","0.0012","12.2409","0.0008","90","","101.308","0.006","90","","2673.7","0.3","103","2","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br0.48 Cl5.52 Fe2 N2 O12 -","- C42 H56 Br0.478 Cl5.522 Fe2 N2 O12 -","- C84 H112 Br0.956 Cl11.044 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.215","0.1294","","","0.2567","0.3004","","","","","","1.036","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127036","20.2076","0.0007","21.8087","0.0007","14.3967","0.0005","90","","108.08","0.004","90","","6031.4","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br0.6 Cl5.4 Fe2 N2 O15 -","- C48 H68 Br0.6 Cl5.4 Fe2 N2 O15 -","- C192 H272 Br2.4 Cl21.6 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1009","0.0519","","","0.1166","0.1399","","","","","","1.019","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127037","10.7147","0.0003","20.7638","0.0007","12.2126","0.0004","90","","101.108","0.003","90","","2666.13","0.15","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl5.66 F0.34 Fe2 N2 O12 -","- C42 H56 Cl5.66 F0.34 Fe2 N2 O12 -","- C84 H112 Cl11.32 F0.68 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0638","0.0484","","","0.1068","0.1144","","","","","","1.103","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127038","20.1787","0.0005","21.8982","0.0006","14.4","0.0003","90","","108","0.003","90","","6051.6","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl5.66 F0.34 Fe2 N2 O15 -","- C48 H68 Cl5.66 F0.34 Fe2 N2 O15 -","- C192 H272 Cl22.64 F1.36 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.041","0.0359","","","0.1028","0.1066","","","","","","1.032","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127039","10.5632","0.0006","21.1362","0.001","12.2412","0.0008","90","","100.998","0.006","90","","2682.8","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl4.55 F1.45 Fe2 N2 O12 -","- C42 H56 Cl4.5496 F1.4504 Fe2 N2 O12 -","- C84 H112 Cl9.0992 F2.9008 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.083","0.0588","","","0.1467","0.1597","","","","","","1.088","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127040","10.4272","0.0005","21.1795","0.0009","12.1426","0.0004","90","","101.168","0.004","90","","2630.83","0.19","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl3.49 F2.51 Fe2 N2 O12 -","- C42 H56 Cl3.4904 F2.5096 Fe2 N2 O12 -","- C84 H112 Cl6.9808 F5.0192 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1005","0.0642","","","0.1705","0.1925","","","","","","1.032","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127041","19.8524","0.0007","21.9805","0.0008","14.2863","0.0005","90","","107.662","0.004","90","","5940.2","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl4.16 F1.84 Fe2 N2 O15 -","- C48 H68 Cl4.1598 F1.8402 Fe2 N2 O15 -","- C192 H272 Cl16.6392 F7.3608 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0881","0.0591","","","0.1662","0.1874","","","","","","1.032","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127042","19.8773","0.0006","21.9737","0.0007","14.2912","0.0005","90","","107.608","0.004","90","","5949.6","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl4.55 F1.45 Fe2 N2 O15 -","- C48 H68 Cl4.5498 F1.4502 Fe2 N2 O15 -","- C192 H272 Cl18.1992 F5.8008 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0877","0.0634","","","0.179","0.2026","","","","","","1.042","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127043","10.4941","0.0006","21.164","0.0013","12.1914","0.0008","90","","101.118","0.006","90","","2656.9","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl4.16 F1.84 Fe2 N2 O12 -","- C42 H56 Cl4.1598 F1.8402 Fe2 N2 O12 -","- C84 H112 Cl8.3196 F3.6804 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0873","0.0534","","","0.1248","0.1418","","","","","","1.023","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127044","20.1163","0.0007","21.8555","0.0005","14.3929","0.0005","90","","108.051","0.004","90","","6016.4","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl5.31 F0.69 Fe2 N2 O15 -","- C48 H68 Cl5.31 F0.69 Fe2 N2 O15 -","- C192 H272 Cl21.24 F2.76 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0718","0.05","","","0.1362","0.1492","","","","","","1.023","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127045","20.0262","0.0004","21.8928","0.0004","14.3496","0.0003","90","","107.832","0.002","90","","5989","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl4.98 F1.02 Fe2 N2 O15 -","- C48 H68 Cl4.98 F1.02 Fe2 N2 O15 -","- C192 H272 Cl19.92 F4.08 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0498","0.0427","","","0.1233","0.1294","","","","","","1.047","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127046","19.6602","0.0008","22.2123","0.001","14.2016","0.0006","90","","107.21","0.004","90","","5924.1","0.5","103","2","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl3.49 F2.51 Fe2 N2 O15 -","- C48 H68 Cl3.4902 F2.5098 Fe2 N2 O15 -","- C192 H272 Cl13.9608 F10.0392 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1022","0.0754","","","0.2266","0.2567","","","","","","1.016","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127047","10.6203","0.0004","20.9025","0.0005","12.2015","0.0004","90","","101.021","0.004","90","","2658.67","0.15","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl4.98 F1.02 Fe2 N2 O12 -","- C42 H56 Cl4.98 F1.02 Fe2 N2 O12 -","- C84 H112 Cl9.96 F2.04 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0441","0.0369","","","0.0934","0.0978","","","","","","1.105","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127048","10.6805","0.0006","20.8987","0.0011","12.2445","0.0006","90","","101.108","0.005","90","","2681.9","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl5.31 F0.69 Fe2 N2 O12 -","- C42 H56 Cl5.31 F0.69 Fe2 N2 O12 -","- C84 H112 Cl10.62 F1.38 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0567","0.0479","","","0.1198","0.1246","","","","","","1.105","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127049","7.6107","0.0006","9.6669","0.0008","11.6421","0.001","74.194","0.002","82.375","0.002","75.798","0.002","796.96","0.11","273","2","273","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Vaishanv, Narendra Kumar; Chandrasekharan, Sanoop P.; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled, PBu<sub>3</sub>-catalyzed annulation of phenacylmalononitriles with allenoates enables tunable access to cyclopentenes.","Chemical communications (Cambridge, England)","2020","56","75","11054","11057","10.1039/d0cc04688d","","x-ray","0.71073","MoKα","","0.049","0.042","","","0.1141","0.1272","","","","","","1.132","","","","has coordinates","257258","2020-10-21","18:00:00",""
"7127050","24.827","0.006","6.5559","0.0016","21.173","0.005","90","","107.267","0.006","90","","3290.9","1.4","273","2","273","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Br N2 O3 -","- C17 H15 Br N2 O3 -","- C136 H120 Br8 N16 O24 -","8","1","","Vaishanv, Narendra Kumar; Chandrasekharan, Sanoop P.; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled, PBu<sub>3</sub>-catalyzed annulation of phenacylmalononitriles with allenoates enables tunable access to cyclopentenes.","Chemical communications (Cambridge, England)","2020","56","75","11054","11057","10.1039/d0cc04688d","","x-ray","0.71073","MoKα","","0.0382","0.0316","","","0.0747","0.0775","","","","","","1.066","","","","has coordinates","257258","2020-10-21","18:00:00",""
"7127051","13.268","0.003","15.98","0.003","18.693","0.004","67.82","0.03","76.64","0.03","81.97","0.03","3564.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H56 Fe2 N8 O8 S8 -","- C68 H53.022 Fe2 N8 O8 S8 -","- C136 H106.044 Fe4 N16 O16 S16 -","2","1","","Zappe, Lisa; Schönfeld, Sophie; Hörner, Gerald; Zenere, Katrina A.; Leong, Chanel F.; Kepert, Cameron J.; D'Alessandro, Deanna M; Weber, Birgit; Neville, Suzanne M.","Spin crossover modulation in a coordination polymer with the redox-active bis-pyridyltetrathiafulvalene (py<sub>2</sub>TTF) ligand.","Chemical communications (Cambridge, England)","2020","56","72","10469","10472","10.1039/d0cc03788e","","","0.71073","Synchrotron","","0.1567","0.116","","","0.3173","0.3753","","","","","","1.1048","","","","has coordinates,has disorder","257274","2020-10-21","18:00:00",""
"7127052","14.5625","0.0005","14.5977","0.0005","5.9349","0.0001","90","","107.284","0.002","90","","1204.66","0.06","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 Cl2 Cu0.5 N -","- C3 H8 Cl2 Cu0.5 N -","- C24 H64 Cl16 Cu4 N8 -","8","1","","Gautier, Romain; Clérac, Rodolphe; Paris, Michael; Massuyeau, Florian","Role of specific distorted metal complexes in exciton self-trapping for hybrid metal halides.","Chemical communications (Cambridge, England)","2020","56","70","10139","10142","10.1039/d0cc04778c","","x-ray","0.71073","MoKα","","0.0212","0.0163","","","0.0392","0.0418","","","","","","1.098","","","","has coordinates","255941","2020-10-21","18:00:00",""
"7127053","15.2462","0.001","15.1744","0.0009","5.7267","0.0002","90","","105.733","0.004","90","","1275.25","0.12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 Cd0.5 Cl2 N -","- C3 H8 Cd0.5 Cl2 N -","- C24 H64 Cd4 Cl16 N8 -","8","1","","Gautier, Romain; Clérac, Rodolphe; Paris, Michael; Massuyeau, Florian","Role of specific distorted metal complexes in exciton self-trapping for hybrid metal halides.","Chemical communications (Cambridge, England)","2020","56","70","10139","10142","10.1039/d0cc04778c","","x-ray","0.71073","MoKα","","0.0216","0.0161","","","0.0324","0.0341","","","","","","1.067","","","","has coordinates","255941","2020-10-21","18:00:00",""
"7127054","9.7392","0.0001","11.0547","0.0001","19.1794","0.0002","90","","101.876","0.001","90","","2020.73","0.04","180","","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Wang, Ding; Ma, Zhishuang; Wang, Nana; Li, Chenyu; Wang, Tao; Liang, Yong; Zhang, Zunting","Synthesis of 7-hydroxy-6H-naphtho[2,3-c]coumarin via a TsOH-mediated tandem reaction.","Chemical communications (Cambridge, England)","2020","56","71","10369","10372","10.1039/d0cc04452k","","","1.54178","CuKα","","0.0446","0.0407","","","0.111","0.119","","","","","","1.056","","","","has coordinates","255980","2020-10-21","18:00:00",""
"7127055","20.6141","0.00015","16.28811","0.00011","24.27716","0.00018","90","","96.8619","0.0007","90","","8093.03","0.1","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 N3 O4 -","- C47 H57 N3 O4 -","- C376 H456 N24 O32 -","8","2","","Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia","Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.","Chemical communications (Cambridge, England)","2020","56","75","11066","11069","10.1039/d0cc04090h","","x-ray","1.54184","CuKα","","0.0524","0.0473","","","0.1292","0.1336","","","","","","1.024","","","","has coordinates,has disorder","257259","2020-10-21","18:00:00",""
"7127056","12.60987","0.00013","10.80108","0.00011","13.03058","0.00013","90","","102.317","0.001","90","","1733.92","0.03","130","1","130","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","1","","Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia","Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.","Chemical communications (Cambridge, England)","2020","56","75","11066","11069","10.1039/d0cc04090h","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0967","0.0982","","","","","","1.06","","","","has coordinates","257259","2020-10-21","18:00:00",""
"7127057","33.3689","0.0008","22.8121","0.0004","38.3244","0.0009","90","","107.4","0.002","90","","27838.1","1.1","130","1","130","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H50 Cl N5 O2 -","- C36 H50 Cl N5 O2 -","- C1152 H1600 Cl32 N160 O64 -","32","4","","Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia","Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.","Chemical communications (Cambridge, England)","2020","56","75","11066","11069","10.1039/d0cc04090h","","x-ray","1.54184","CuKα","","0.1319","0.096","","","0.222","0.2398","","","","","","1.008","","","","has coordinates","257259","2020-10-21","18:00:00",""
"7127058","18.1583","0.001","17.6762","0.0005","8.0886","0.0005","90","","128.002","0.009","90","","2045.8","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H22 Fe N O5 S -","- C20 H22 Fe N O5 S -","- C80 H88 Fe4 N4 O20 S4 -","4","1","","Kobayashi, Fumiya; Akiyoshi, Ryohei; Kosumi, Daisuke; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Solvent vapor-induced polarity and ferroelectricity switching.","Chemical communications (Cambridge, England)","2020","56","72","10509","10512","10.1039/d0cc04497k","","x-ray","0.71073","MoKα","","0.0256","0.0235","","","0.062","0.063","","","","","","1.0335","","","","has coordinates,has disorder","257273","2020-10-21","18:00:00",""
"7127059","9.3501","0.0019","19.938","0.003","12.331","0.002","90","","111.89","0.02","90","","2133","0.7","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H23.5 Fe N2.5 O4 -","- C25.5 H23.5 Fe N2.5 O4 -","- C102 H94 Fe4 N10 O16 -","4","1","","Kobayashi, Fumiya; Akiyoshi, Ryohei; Kosumi, Daisuke; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Solvent vapor-induced polarity and ferroelectricity switching.","Chemical communications (Cambridge, England)","2020","56","72","10509","10512","10.1039/d0cc04497k","","x-ray","0.71073","MoKα","","0.0916","0.0506","","","0.1368","0.1708","","","","","","1.0139","","","","has coordinates,has disorder","257273","2020-10-21","18:00:00",""
"7127060","9.038","0.0001","10.7196","0.0001","10.8654","0.0001","97.184","0.001","94.287","0.001","111.2","0.001","965.509","0.018","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H23 N3 -","- C26 H23 N3 -","- C52 H46 N6 -","2","1","","Yang, Yurong; Zhang, Kaixin; Yang, Jian; Zhu, Guoxun; Chen, Weijie; Zhang, Chao; Zhou, Zhi; Yi, Wei","Ru(II)-Catalyzed and acidity-controlled tunable [5+1]/[5+2] annulation for building ring-fused quinazolines and 1,3-benzodiazepines.","Chemical communications (Cambridge, England)","2020","56","76","11315","11318","10.1039/d0cc04041j","","x-ray","1.54184","CuKα","","0.0521","0.0441","","","0.1109","0.116","","","","","","1.058","","","","has coordinates","257248","2020-10-21","18:00:00",""
"7127061","14.8745","0.0004","9.2268","0.0002","14.352","0.0003","90","","101.721","0.002","90","","1928.65","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 -","- C26 H23 N3 -","- C104 H92 N12 -","4","1","","Yang, Yurong; Zhang, Kaixin; Yang, Jian; Zhu, Guoxun; Chen, Weijie; Zhang, Chao; Zhou, Zhi; Yi, Wei","Ru(II)-Catalyzed and acidity-controlled tunable [5+1]/[5+2] annulation for building ring-fused quinazolines and 1,3-benzodiazepines.","Chemical communications (Cambridge, England)","2020","56","76","11315","11318","10.1039/d0cc04041j","","x-ray","1.54184","CuKα","","0.069","0.0631","","","0.1458","0.1582","","","","","","1.07","","","","has coordinates","257248","2020-10-21","18:00:00",""
"7127062","7.1857","0.0003","17.0238","0.0005","19.6063","0.0006","113.132","0.003","90.973","0.003","96.562","0.003","2186.09","0.14","150","0.2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C108 H108 N4 O8 S4 -","4","2","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.0594","0.0467","","","0.117","0.1264","","","","","","1.034","","","","has coordinates","255946","2020-10-21","18:00:00",""
"7127063","10.6018","0.0007","13.9495","0.0008","15.1107","0.0009","85.675","0.005","86.516","0.005","74.883","0.005","2149.3","0.2","150","0.2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 Cl3 N2 O8 S2 -","- C46 H36 N2 O8 S2 -","- C92 H72 N4 O16 S4 -","2","1","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.0986","0.0766","","","0.192","0.2057","","","","","","1.052","","","","has coordinates,has disorder","255946","2020-10-21","18:00:00",""
"7127064","9.3061","0.0002","13.3044","0.0003","18.0105","0.0004","83.284","0.002","87.291","0.002","83.287","0.002","2198.16","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Cl6 N2 O4 S2 -","- C48 H38 Cl6 N2 O4 S2 -","- C96 H76 Cl12 N4 O8 S4 -","2","1","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.055","0.0525","","","0.1434","0.1459","","","","","","1.061","","","","has coordinates,has disorder","255946","2020-10-21","18:00:00",""
"7127065","45.615","0.002","45.615","0.002","12.3835","0.0006","90","","90","","120","","22314.6","1.8","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C176 H172 N6 O12 S6 -","- C162 H156 N6 O12 S6 -","- C972 H936 N36 O72 S36 -","6","0.333333","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.1641","0.1118","","","0.3372","0.3908","","","","","","1.208","","","","has coordinates,has disorder","255946","2020-10-21","18:00:00",""
"7127066","13.0001","0.0003","28.8076","0.0008","26.4244","0.0006","90","","93.4546","0.0009","90","","9878","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H152 N2 O Si7 -","- C97 H152 N2 O Si7 -","- C388 H608 N8 O4 Si28 -","4","1","","Poitiers, Nadine E.; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Nickel-assisted complete cleavage of CO by a silylene/siliconoid hybrid under formation of an Si[double bond, length as m-dash]C enol ether bridge.","Chemical communications (Cambridge, England)","2020","56","74","10898","10901","10.1039/d0cc04922k","","","0.71073","MoKα","","0.0613","0.0492","","","0.1436","0.1541","","","","","","1.039","","","","has coordinates,has disorder","257263","2020-10-21","18:00:00",""
"7127067","9.5337","0.0001","10.9943","0.0001","11.1572","0.0001","99.017","0.001","103.077","0.001","102.808","0.001","1084.12","0.02","160.03","0.18","160.03","0.18","","","","","","","","8","P -1","-P 1","2","","","","- C42 H34 F12 N2 O6 P2 Re2 Ru2 -","- C42 H34 F12 N2 O6 P2 Re2 Ru2 -","- C42 H34 F12 N2 O6 P2 Re2 Ru2 -","1","0.5","","Hernández-Valdés, Daniel; Wettstein, Lionel; Fernández-Terán, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger","Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2020","56","73","10658","10661","10.1039/d0cc04180g","","x-ray","1.54184","CuKα","","0.027","0.0254","","","0.0669","0.0678","","","","","","1.074","","","","has coordinates","257231","2020-10-21","18:00:00",""
"7127068","10.5504","0.0001","17.4219","0.0002","14.6483","0.0001","90","","102.806","0.001","90","","2625.5","0.04","160","0.1","160","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F6 N O7 Re Ru -","- C25 H18 F6 N O7 Re Ru -","- C100 H72 F24 N4 O28 Re4 Ru4 -","4","1","","Hernández-Valdés, Daniel; Wettstein, Lionel; Fernández-Terán, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger","Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2020","56","73","10658","10661","10.1039/d0cc04180g","","x-ray","1.54184","CuKα","","0.0332","0.032","","","0.0829","0.0838","","","","","","1.089","","","","has coordinates","257231","2020-10-21","18:00:00",""
"7127069","12.5216","0.0002","12.3888","0.0002","16.6363","0.0003","90","","102.256","0.002","90","","2521.93","0.08","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F6 N O7 Re Ru -","- C25 H18 F6 N O7 Re Ru -","- C100 H72 F24 N4 O28 Re4 Ru4 -","4","1","","Hernández-Valdés, Daniel; Wettstein, Lionel; Fernández-Terán, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger","Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2020","56","73","10658","10661","10.1039/d0cc04180g","","x-ray","1.54184","CuKα","","0.0456","0.0413","","","0.1078","0.1101","","","","","","1.085","","","","has coordinates","257231","2020-10-21","18:00:00",""
"7127070","12.4479","0.0006","10.9895","0.0005","14.072","0.0007","90","","104.748","0.0017","90","","1861.57","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Br Cl N O4 -","- C19 H15 Br Cl N O4 -","- C76 H60 Br4 Cl4 N4 O16 -","4","1","","Liang, Hao; He, Xiaobo; Zhang, Yaqi; Chen, Bin; Ouyang, Jia-Sheng; Li, Yongsu; Pan, Bendu; Subba Reddy, Chitreddy V.; Chan, Wesley Ting Kwok; Qiu, Liqin","Copper-catalyzed (4+1) and (3+2) cyclizations of iodonium ylides with alkynes.","Chemical communications (Cambridge, England)","2020","56","77","11429","11432","10.1039/d0cc04373g","","","0.71073","MoKα","","0.0617","0.0468","","","0.1333","0.1438","","","","","","1.044","","","","has coordinates,has disorder","257237","2020-10-21","18:00:00",""
"7127071","13.1152","0.0019","9.7918","0.001","33.822","0.004","90","","91.189","0.012","90","","4342.5","0.9","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11.368 H7.579 N0.842 -","- C11.3684 H7.57895 N0.842105 -","- C216 H144 N16 -","19","4.75","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.2141","0.1265","","","0.3342","0.4339","","","","","","1.1381","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127072","13.3538","0.001","10.7542","0.001","15.7395","0.0012","90","","96.853","0.007","90","","2244.2","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10.8 H7 Cl0.4 N0.8 -","- C10.8 H6.8 Cl0.4 N0.8 -","- C108 H68 Cl4 N8 -","10","5","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0909","0.0836","","","0.227","0.2423","","","","","","1.042","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127073","15.7886","0.0004","10.8211","0.0003","28.7265","0.0008","90","","90.484","0.003","90","","4907.7","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10.67 H6.48 F1.14 N0.76 -","- C10.6667 H6.47619 F1.14286 N0.761905 -","- C224 H136 F24 N16 -","21","5.25","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0983","0.0859","","","0.2533","0.2739","","","","","","1.055","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127074","30.7434","0.0011","9.7093","0.0004","22.2459","0.0007","90","","126.426","0.003","90","","5343","0.4","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cl N3 Rh -","- C30 H31 Cl N3 Rh -","- C240 H248 Cl8 N24 Rh8 -","8","1","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","","1.54178","CuKα","","0.1193","0.0864","","","0.2632","0.3161","","","","","","1.316","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127075","15.6342","0.0003","7.2912","0.0001","25.8878","0.0005","90","","98.679","0.002","90","","2917.21","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.23 H9.54 Cl0.62 N0.62 Rh0.31 -","- C9.23077 H9.53846 Cl0.615385 N0.615385 Rh0.307692 -","- C120 H124 Cl8 N8 Rh4 -","13","3.25","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0376","0.0338","","","0.0836","0.0868","","","","","","1.04","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127076","9.8941","0.0003","13.9468","0.0004","16.4764","0.0005","102.279","0.002","99.94","0.002","97.712","0.002","2153.46","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.11 H7.11 N0.89 S0.44 -","- C11.1111 H7.11111 N0.888889 S0.444444 -","- C100 H64 N8 S4 -","9","4.5","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0729","0.0655","","","0.2194","0.2324","","","","","","1.112","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127077","15.7038","0.0003","10.8165","0.0002","28.0637","0.0006","90","","90.879","0.002","90","","4766.34","0.16","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10.67 H7.05 Cl0.05 F0.57 N0.76 O0.05 -","- C10.6667 H7.04762 F0.571429 N0.761905 -","- C224 H148 F12 N16 -","21","5.25","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.1014","0.0902","","","0.2846","0.3053","","","","","","1.26","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127078","5.0197","0.0004","5.2136","0.0004","12.4572","0.001","90","","95.943","0.003","90","","324.26","0.04","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F I O3 Zn -","- F I O3 Zn -","- F4 I4 O12 Zn4 -","4","1","","Cao, Liling; Luo, Min; Lin, Chensheng; Zhou, Yuqiao; Zhao, Dan; Yan, Tao; Ye, Ning","From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d<sup>10</sup>-transition metal iodate fluorides.","Chemical communications (Cambridge, England)","2020","56","73","10734","10737","10.1039/d0cc02532a","","","0.71073","MoKα","","0.0233","0.0229","","","0.0562","0.0565","","","","","","1.29","","","","has coordinates","257233","2020-10-21","18:00:00",""
"7127079","5.5051","0.0004","5.7913","0.0004","10.9326","0.0007","90","","90","","90","","348.55","0.04","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd F I O3 -","- Cd F I O3 -","- Cd4 F4 I4 O12 -","4","1","","Cao, Liling; Luo, Min; Lin, Chensheng; Zhou, Yuqiao; Zhao, Dan; Yan, Tao; Ye, Ning","From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d<sup>10</sup>-transition metal iodate fluorides.","Chemical communications (Cambridge, England)","2020","56","73","10734","10737","10.1039/d0cc02532a","","","0.71073","MoKα","","0.0274","0.0272","","","0.0633","0.0634","","","","","","1.175","","","","has coordinates","257233","2020-10-21","18:00:00",""
"7127080","8.29029","0.00017","20.9516","0.0004","8.39594","0.00016","90","","97.0201","0.0018","90","","1447.4","0.05","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H31 Cl N2 O4 S -","- C32 H31 Cl N2 O4 S -","- C64 H62 Cl2 N4 O8 S2 -","2","1","","Lu, Dongming; Wu, Jia-Hong; Pan, Jianke; Chen, Xue; Ren, Xiaoyu; Wang, Tianli","Asymmetric synthesis of benzothiazolopyrimidines with high catalytic efficiency and stereoselectivity under bifunctional phosphonium salt systems.","Chemical communications (Cambridge, England)","2020","56","76","11231","11234","10.1039/d0cc04820h","","x-ray","1.54184","CuKα","","0.0554","0.0536","","","0.1369","0.1404","","","","","","1.048","","","","has coordinates","257250","2020-10-21","18:00:00",""
"7127081","9.7282","0.0015","14.5036","0.0012","13.5002","0.0009","90","","108.564","0.012","90","","1805.7","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Yuan, Shuo; Yue, Ya-Le; Zhang, Dan-Qing; Zhang, Jing-Ya; Yu, Bin; Liu, Hong-Min","Synthesis of new tetracyclic benzodiazepine-fused isoindolinones using recyclable mesoporous silica nanoparticles.","Chemical communications (Cambridge, England)","2020","56","77","11461","11464","10.1039/d0cc04875e","","","0.71073","MoKα","","0.0901","0.0464","","","0.0958","0.1074","","","","","","1.003","","","","has coordinates","257242","2020-10-21","18:00:00",""
"7127082","11.2111","0.0002","6.05545","0.00012","13.6909","0.0003","90","","112.986","0.003","90","","855.65","0.04","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 F0.5 N3 O6 P -","- C15 H17 F N3 O5 P -","- C30 H34 F2 N6 O10 P2 -","2","1","","Wu, Wei; Wang, Yan; Guo, Jing; Cai, Liu; Chen, Yuan; Huang, Yanmin; Peng, Yungui","Asymmetric acyl-Mannich reaction of isoquinolines with α-(diazomethyl)phosphonate and diazoacetate catalyzed by chiral Brønsted acids.","Chemical communications (Cambridge, England)","2020","56","76","11235","11238","10.1039/d0cc03201h","","x-ray","1.54184","CuKα","","0.0425","0.0405","","","0.1041","0.107","","","","","","0.99","","","","has coordinates","257245","2020-10-21","18:00:00",""
"7127083","7.32373","0.0001","15.62333","0.00014","8.2508","0.0001","90","","112.635","0.0015","90","","871.35","0.02","294","0.3","294","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N3 O4 -","- C16 H18 Br N3 O4 -","- C32 H36 Br2 N6 O8 -","2","1","","Wu, Wei; Wang, Yan; Guo, Jing; Cai, Liu; Chen, Yuan; Huang, Yanmin; Peng, Yungui","Asymmetric acyl-Mannich reaction of isoquinolines with α-(diazomethyl)phosphonate and diazoacetate catalyzed by chiral Brønsted acids.","Chemical communications (Cambridge, England)","2020","56","76","11235","11238","10.1039/d0cc03201h","","x-ray","1.54184","CuKα","","0.0386","0.0383","","","0.1058","0.1063","","","","","","1.041","","","","has coordinates","257245","2020-10-21","18:00:00",""
"7127084","7.4818","0.0001","10.0714","0.0002","23.347","0.0003","90","","90","","90","","1759.25","0.05","292.7","0.2","292.7","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","lwp","","- C18 H16 N2 O7 -","- C18 H16 N2 O7 -","- C72 H64 N8 O28 -","4","1","","Wang, Hai-Xia; Li, Wen-Peng; Zhang, Mi-Mi; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of chiral pyrimidine-substituted diester D-A cyclopropanes <i>via</i> asymmetric cyclopropanation of phenyliodonium ylides.","Chemical communications (Cambridge, England)","2020","56","78","11649","11652","10.1039/d0cc04536e","","x-ray","1.54184","CuKα","","0.0416","0.0398","","","0.1032","0.1052","","","","","","1.037","","","","has coordinates","257227","2020-10-21","18:00:00",""
"7127085","11.8701","0.0004","9.35538","0.00018","12.279","0.0004","90","","117.558","0.004","90","","1208.87","0.08","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4S,5R)-5-benzyl-3-butyl-4-hydroxy-4-phenyl-1-tosylpyrrolidin-2-one","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","1","","Qian, Hui; Sun, Song; Zhao, Wanxiang; Sun, Jianwei","An efficient [3+2] annulation for the asymmetric synthesis of densely-functionalized pyrrolidinones and γ-butenolides.","Chemical communications (Cambridge, England)","2020","56","76","11295","11298","10.1039/d0cc05188h","","x-ray","1.54184","CuKα","","0.025","0.0242","","","0.0598","0.0604","","","","","","1.001","","","","has coordinates","257247","2020-10-21","18:00:00",""
"7127086","9.9088","0.0003","20.8368","0.0011","19.7657","0.001","90","","98.387","0.004","90","","4037.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N O -","- C21 H35 N O -","- C168 H280 N8 O8 -","8","2","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.0854","0.0758","","","0.1508","0.1553","","","","","","1.168","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127087","10.8072","0.0003","18.5224","0.0003","21.5987","0.0004","90","","104.313","0.002","90","","4189.32","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H69 I Mg N2 -","- C43 H69 I Mg N2 -","- C172 H276 I4 Mg4 N8 -","4","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","0.71073","MoKα","","0.064","0.0452","","","0.1032","0.1132","","","","","","1.064","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127088","16.7941","0.0004","19.6395","0.0004","21.899","0.0006","90","","90","","90","","7222.9","0.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H57 I Mg N2 -","- C37 H57 I Mg N2 -","- C296 H456 I8 Mg8 N16 -","8","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","0.71073","MoKα","","0.0437","0.0316","","","0.0658","0.0717","","","","","","1.029","","","","has coordinates","257244","2020-10-21","18:00:00",""
"7127089","11.0072","0.0004","16.9342","0.0008","21.7042","0.0007","91.446","0.003","95.022","0.003","97.171","0.003","3995.9","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H138 Mg2 N4 -","- C86 H138 Mg2 N4 -","- C172 H276 Mg4 N8 -","2","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.1091","0.0845","","","0.218","0.2475","","","","","","1.006","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127090","10.1571","0.0004","10.6195","0.0003","21.6789","0.0005","97.526","0.002","99.465","0.002","105.672","0.003","2182.57","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C46.79 H77.58 Mg N2 -","- C46.788 H77.576 Mg N2 -","- C93.576 H155.152 Mg2 N4 -","2","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.0435","0.0391","","","0.0979","0.1008","","","","","","1.047","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127091","11.9665","0.0002","23.6431","0.0004","15.0792","0.0003","90","","112.986","0.003","90","","3927.54","0.15","100","0.2","100","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H70 N2 -","- C43 H70 N2 -","- C172 H280 N8 -","4","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.0435","0.0378","","","0.0932","0.0979","","","","","","1.034","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127092","10.6271","0.0008","10.757","0.0008","11.7417","0.0009","66.929","0.001","70.116","0.002","62.767","0.001","1076.6","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N O -","- C31 H21 N O -","- C62 H42 N2 O2 -","2","1","","Xu, Ting; Lin, Na; Hao, Wen-Juan; Zhang, Jie; Li, Meng-Fan; Tu, Shu-Jiang; Jiang, Bo","Synthesis of polycyclic indoles <i>via</i> organocatalytic bicyclization of α-alkynylnaphthalen-2-ols with nitrones.","Chemical communications (Cambridge, England)","2020","56","77","11406","11409","10.1039/d0cc05027j","","","0.71073","MoKα","","0.1133","0.0601","","","0.1376","0.1535","","","","","","1.034","","","","has coordinates","257239","2020-10-21","18:00:00",""
"7127093","27.225","0.002","8.3989","0.0008","15.7502","0.0015","90","","122.16","0.003","90","","3048.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 O5 Pt S4 V -","- C8 H12 O5 Pt S4 V -","- C64 H96 O40 Pt8 S32 V8 -","8","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","K-L~3~","0.0283","0.0225","","","0.0488","0.0512","","","","","","1.034","","","","has coordinates","257257","2020-10-21","18:00:00",""
"7127094","11.7092","0.0011","11.7557","0.001","12.2506","0.0011","71.254","0.004","75.235","0.005","88.198","0.004","1541.8","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Cl2 O5 Pt S4 V -","- C29 H22 Cl2 O5 Pt S4 V -","- C58 H44 Cl4 O10 Pt2 S8 V2 -","2","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","1.54178","CuKα","K-L~3~","0.0423","0.0374","","","0.0906","0.0937","","","","","","1.055","","","","has coordinates","257257","2020-10-21","18:00:00",""
"7127095","20.6526","0.0005","21.3478","0.0004","25.5068","0.0006","90","","90","","90","","11245.6","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H75 Nd O8 Pt S4 V -","- C50 H75 Nd O8 Pt S4 V -","- C400 H600 Nd8 O64 Pt8 S32 V8 -","8","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0844","0.0526","","","0.1044","0.1198","","","","","","1.108","","","","has coordinates","257257","2020-10-21","18:00:00",""
"7127096","16.7686","0.0012","22.4235","0.0016","22.4927","0.0017","81.342","0.001","72.858","0.002","83.434","0.001","7967.7","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H95 Nd O8 Pt S4 V -","- C80.5 H95 Nd O8 Pt S4 V -","- C322 H380 Nd4 O32 Pt4 S16 V4 -","4","2","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0617","0.036","","","0.0709","0.0798","","","","","","1.011","","","","has coordinates,has disorder","257257","2020-10-21","18:00:00",""
"7127097","16.9219","0.0003","22.5655","0.0003","22.5881","0.0003","81.471","0.001","83.275","0.001","72.952","0.001","8130.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H95 Ce O8 Pt S4 V -","- C80.5 H95 Ce O8 Pt S4 V -","- C322 H380 Ce4 O32 Pt4 S16 V4 -","4","2","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0778","0.0449","","","0.0893","0.1027","","","","","","1.022","","","","has coordinates,has disorder","257257","2020-10-21","18:00:00",""
"7127098","15.9088","0.0002","23.5478","0.0005","17.7553","0.0002","90","","93.81","0.001","90","","6636.74","0.18","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58.32 H86.96 Ce O8.22 Pt S4 Si0.44 V -","- C58.3206 H86.9618 Ce O8.2201 Pt S4 Si0.4402 V -","- C233.282 H347.847 Ce4 O32.8804 Pt4 S16 Si1.7608 V4 -","4","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0554","0.0384","","","0.0835","0.0903","","","","","","1.077","","","","has coordinates,has disorder","257257","2020-10-21","18:00:00",""
"7127099","10.7539","0.0007","15.7753","0.0011","10.6322","0.0007","90","","118.742","0.002","90","","1581.48","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Kwak, Se Hun; Daugulis, Olafs","N-Iminopyridinium ylide-directed, cobalt-catalysed coupling of sp<sup>2</sup> C-H bonds with alkynes.","Chemical communications (Cambridge, England)","2020","56","75","11070","11073","10.1039/d0cc05294a","","","1.54178","CuKα","","0.0332","0.033","","","0.0895","0.0896","","","","","","1.003","","","","has coordinates","257254","2020-10-21","18:00:00",""
"7127100","8.4964","0.0011","31.85","0.004","8.5016","0.001","90","","112.618","0.003","90","","2123.7","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Co I N2 O2 -","- C23 H26 Co I N2 O2 -","- C92 H104 Co4 I4 N8 O8 -","4","1","","Kwak, Se Hun; Daugulis, Olafs","N-Iminopyridinium ylide-directed, cobalt-catalysed coupling of sp<sup>2</sup> C-H bonds with alkynes.","Chemical communications (Cambridge, England)","2020","56","75","11070","11073","10.1039/d0cc05294a","","","0.71073","MoKα","","0.0354","0.0315","","","0.0603","0.0614","","","","","","1.227","","","","has coordinates","257254","2020-10-21","18:00:00",""
"7127101","12.984","0.0009","33.1749","0.0019","18.489","0.0011","90","","108.557","0.004","90","","7549.9","0.8","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H198 F4 N6 O6 S4 -","- C168 H198 F4 N6 O6 S4 -","- C336 H396 F8 N12 O12 S8 -","2","0.5","","Ding, Kui; Shan, Tong; Xu, Jinqiu; Li, Mengyang; Wang, Yan; Zhang, Yi; Xie, Ziyi; Ma, Zaifei; Liu, Feng; Zhong, Hongliang","A perylene diimide-containing acceptor enables high fill factor in organic solar cells.","Chemical communications (Cambridge, England)","2020","56","77","11433","11436","10.1039/d0cc04297h","","","1.54178","CuKα","","0.2007","0.1197","","","0.3223","0.3958","","","","","","1.144","","","","has coordinates","257241","2020-10-21","18:00:00",""
"7127102","10.65993","0.00006","11.44033","0.00005","11.66689","0.00006","90","","113.252","0.0006","90","","1307.25","0.013","294.15","","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H40 N2 O8 -","- C25 H40 N2 O8 -","- C50 H80 N4 O16 -","2","1","","Xiang, Junhong; Zhang, Xuemei; Wang, Dehong; Li, Jiaxin; Li, Qiuying; Wang, Qin; Ding, Yahui; Chen, Tianyang; Sun, Yuanjun; Bao, Shiqi; Chen, Jing; Li, Dongmei; Wang, Liang; Chen, Yue","Chemical modification of ovatodiolide revealed a promising amino-prodrug with improved pharmacokinetic profile.","Chemical communications (Cambridge, England)","2020","56","75","11018","11021","10.1039/c9cc07573a","","x-ray","1.54184","CuKα","","0.0323","0.032","","","0.0908","0.0911","","","","","","1.045","","","","has coordinates","257256","2020-10-21","18:00:00",""
"7127103","13.93601","0.00006","13.66097","0.00008","14.35128","0.00007","90","","92.6127","0.0004","90","","2729.35","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H36 N2 O4 -","- C20 H29.2 N1.6 O3.2 -","- C100 H146 N8 O16 -","5","2.5","","Xiang, Junhong; Zhang, Xuemei; Wang, Dehong; Li, Jiaxin; Li, Qiuying; Wang, Qin; Ding, Yahui; Chen, Tianyang; Sun, Yuanjun; Bao, Shiqi; Chen, Jing; Li, Dongmei; Wang, Liang; Chen, Yue","Chemical modification of ovatodiolide revealed a promising amino-prodrug with improved pharmacokinetic profile.","Chemical communications (Cambridge, England)","2020","56","75","11018","11021","10.1039/c9cc07573a","","x-ray","1.54184","CuKα","","0.1229","0.1223","","","0.3198","0.3221","","","","","","1.607","","","","has coordinates","257256","2020-10-21","18:00:00",""
"7127104","23.3078","0.0012","14.5446","0.0004","17.1713","0.0005","90","","90","","90","","5821.1","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(dipp)2(Mes)","[MesPDIMe]U(N-dipp)2(N-Mes)","","- C65 H88 N6 U -","- C65 H88 N6 U -","- C260 H352 N24 U4 -","4","1","","Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.","Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.","Chemical communications (Cambridge, England)","2020","56","75","11138","11141","10.1039/d0cc03261a","","","0.71073","MoKα","","0.1034","0.043","","","0.0715","0.0836","","","","","","0.917","","","","has coordinates","257255","2020-10-21","18:00:00",""
"7127105","14.6346","0.0005","21.6509","0.0007","15.5875","0.0005","90","","90.829","0.003","90","","4938.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-detp","[MesPDIMe]U(N-detp)3","","- C57 H70 N6 U -","- C57 H70 N6 U -","- C228 H280 N24 U4 -","4","1","","Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.","Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.","Chemical communications (Cambridge, England)","2020","56","75","11138","11141","10.1039/d0cc03261a","","","1.54178","CuKα","","0.0776","0.0672","","","0.1946","0.2096","","","","","","1.153","","","","has coordinates","257255","2020-10-21","18:00:00",""
"7127106","11.3843","0.0004","23.5278","0.0009","22.0095","0.0008","90","","100.311","0.0012","90","","5800","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(dipp)2(Detp)","[MesPDIMe]U(N-dipp)2(N-detp)","","- C65 H86 N6 O U -","- C65 H86 N6 O U -","- C260 H344 N24 O4 U4 -","4","1","","Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.","Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.","Chemical communications (Cambridge, England)","2020","56","75","11138","11141","10.1039/d0cc03261a","","","1.54178","CuKα","","0.0307","0.03","","","0.0697","0.0703","","","","","","1.127","","","","has coordinates","257255","2020-10-21","18:00:00",""
"7127107","6.768","0.002","13.774","0.004","13.88","0.004","87.61","0.02","85.88","0.02","87.59","0.02","1288.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 F N3 Pt S0.5 -","- C12 H10 F N3 Pt S0.5 -","- C48 H40 F4 N12 Pt4 S2 -","4","2","","Li, Jun; Ma, Yun; Liu, Suyi; Mao, Zhu; Chi, Zhenguo; Qian, Peng-Cheng; Wong, Wai-Yeung","Soft salts based on platinum(II) complexes with high emission quantum efficiencies in the near infrared region for <i>in vivo</i> imaging.","Chemical communications (Cambridge, England)","2020","56","78","11681","11684","10.1039/d0cc05366j","","","1.54184","CuKα","","0.0874","0.0776","","","0.1909","0.1978","","","","","","1.189","","","","has coordinates,has disorder","257229","2020-10-21","18:00:00",""
"7127108","10.917","0.003","7.526","0.003","28.688","0.011","90","","100.154","0.014","90","","2320.1","1.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 S2 -","- C25 H24 O4 S2 -","- C100 H96 O16 S8 -","4","1","","Fei, Weihong; Xu, Ping; Hou, Jie; Yao, Weijun","Phosphine catalyzed [3+2] cyclization/Michael addition of allenoate with CS<sub>2</sub> to form 2-thineyl vinyl sulfide.","Chemical communications (Cambridge, England)","2020","56","78","11669","11672","10.1039/d0cc05070a","","","0.71073","MoKα","","0.0614","0.0462","","","0.1241","0.1377","","","","","","1.031","","","","has coordinates","257228","2020-10-21","18:00:00",""
"7127109","15.9815","0.0004","16.5996","0.0003","26.6002","0.0006","90","","90","","90","","7056.7","0.3","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C74 H66 N3 O14 P4 Yb -","- C74 H60 N3 O14 P4 Yb -","- C296 H240 N12 O56 P16 Yb4 -","4","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.","Chemical communications (Cambridge, England)","2020","56","79","11879","11882","10.1039/d0cc01370f","","","0.71073","MoKα","","0.0486","0.0377","","","0.0936","0.1008","","","","","","1.076","","","","has coordinates,has disorder","260640","2021-01-07","04:40:31",""
"7127110","13.6979","0.0002","14.633","0.0002","19.8834","0.0002","94.599","0.001","108.159","0.001","90.614","0.001","3772.09","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C152 H126 F18 O27 P8 S6 Yb2 -","- C152 H120 F18 O27 P8 S6 Yb2 -","- C152 H120 F18 O27 P8 S6 Yb2 -","1","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.","Chemical communications (Cambridge, England)","2020","56","79","11879","11882","10.1039/d0cc01370f","","","0.71073","MoKα","","0.0394","0.0375","","","0.0933","0.0955","","","","","","1.087","","","","has coordinates,has disorder","260640","2021-01-07","04:40:31",""
"7127111","13.9941","0.0002","15.4903","0.0003","17.781","0.0004","89.738","0.002","84.044","0.002","80.588","0.001","3781.72","0.13","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H66 Br0.47 Cl0.62 I3.91 O5 P4 Yb -","- C74 H63 Br0.469 Cl0.622 I3.909 O5 P4 Yb -","- C148 H126 Br0.938 Cl1.244 I7.818 O10 P8 Yb2 -","2","1","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.","Chemical communications (Cambridge, England)","2020","56","79","11879","11882","10.1039/d0cc01370f","","","0.71073","MoKα","","0.0833","0.0606","","","0.1284","0.1404","","","","","","1.078","","","","has coordinates,has disorder","260640","2021-01-07","04:40:31",""
"7127112","3.7895","0.0002","10.0133","0.0005","18.8245","0.0009","84.216","0.004","84.817","0.004","79.331","0.004","696.5","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N4 O2 -","- C34 H18 N4 -","- C34 H18 N4 -","1","0.5","","O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.","Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.","Chemical communications (Cambridge, England)","2020","56","79","11799","11802","10.1039/d0cc05311b","","x-ray","1.54184","CuKα","","0.0867","0.0808","","","0.227","0.2339","","","","","","1.068","","","","has coordinates,has disorder","260642","2021-01-07","04:41:06",""
"7127113","11.208","0.0011","21.44","0.002","29.333","0.003","90","","93.016","0.003","90","","7038.9","1.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H144 F24 N16 O30 Pd4 S8 -","- C54 H62 F12 N8 O14 Pd2 S4 -","- C216 H248 F48 N32 O56 Pd8 S16 -","4","1","","O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.","Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.","Chemical communications (Cambridge, England)","2020","56","79","11799","11802","10.1039/d0cc05311b","","x-ray","0.6889","Synchrotron","","0.0796","0.0664","","","0.2143","0.2287","","","","","","1.131","","","","has coordinates,has disorder","260642","2021-01-07","04:41:06",""
"7127114","18.6651","0.0016","51.156","0.004","74.909","0.006","90","","90","","90","","71525","10","100","","100","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C552 H418 F72 N24 O72 P24 Pd12 S24 -","- C544 H418 F48 N24 O48 P24 Pd12 S16 -","- C2176 H1672 F192 N96 O192 P96 Pd48 S64 -","4","0.5","","O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.","Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.","Chemical communications (Cambridge, England)","2020","56","79","11799","11802","10.1039/d0cc05311b","","x-ray","0.6889","Synchrotron","","0.0775","0.0623","","","0.1712","0.1863","","","","","","1.049","","","","has coordinates,has disorder","260642","2021-01-07","04:41:06",""
"7127115","6.6973","0.0001","6.6973","0.0001","18.5548","0.0003","90","","90","","120","","720.753","0.019","293","2","293","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- Cu3 F N O10 Pb Se2 -","- Cu3 F N O10 Pb Se2 -","- Cu9 F3 N3 O30 Pb3 Se6 -","3","0.166667","","Zhang, Mengsi; Zhao, Zhiying; Zhang, Wanwan; Li, Jinyang; Huang, Xiaoying; He, Zhangzhen","Pb(OF)Cu<sub>3</sub>(SeO<sub>3</sub>)<sub>2</sub>(NO<sub>3</sub>): a selenite fluoride nitrate with a breathing kagomé lattice.","Chemical communications (Cambridge, England)","2020","56","80","11965","11968","10.1039/d0cc03684f","","x-ray","0.71073","MoKα","","0.0146","0.0146","","","0.0355","0.0355","","","","","","1.102","","","","has coordinates","260664","2021-01-07","04:47:52",""
"7127116","8.2431","0.0005","26.7192","0.0016","12.0799","0.0008","90","","100.315","0.002","90","","2617.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br3 N3 -","- C27 H26 Br3 N3 -","- C108 H104 Br12 N12 -","4","1","","B S, Anju; Bhattacharjee, Rameswar; Gupta, Shourya; Ahammad, Soniya; Datta, Ayan; Kundu, Subrata","Deoxygenation of nitrosoarene by N-heterocyclic carbene (NHC): an elusive Breslow-type intermediate bridging carbene and nitrene.","Chemical communications (Cambridge, England)","2020","56","81","12166","12169","10.1039/d0cc05192f","","","0.71073","MoKα","","0.0894","0.044","","","0.0791","0.0912","","","","","","1.007","","","","has coordinates","260622","2021-01-07","04:36:27",""
"7127117","8.5318","0.0001","9.341","0.0001","18.0021","0.0002","90","","90","","90","","1434.69","0.03","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0366","0.0356","","","0.0916","0.0929","","","","","","1.076","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127118","7.8485","0.0001","12.7347","0.0002","9.0832","0.0001","90","","90.438","0.001","90","","907.82","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.039","0.0388","","","0.1096","0.1103","","","","","","1.026","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127119","7.87176","0.00011","12.32287","0.00017","16.6389","0.0003","90","","90","","90","","1614.02","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0464","0.0436","","","0.1289","0.1331","","","","","","1.066","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127120","7.3742","0.0001","8.5904","0.0001","12.0878","0.0001","90","","101.002","0.001","90","","751.656","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0608","0.0606","","","0.1325","0.1331","","","","","","1.248","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127121","28.3914","0.0011","12.6728","0.0004","15.826","0.0006","90","","98.238","0.001","90","","5635.4","0.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C70 H58 -","- C70 H58 -","- C280 H232 -","4","0.5","","Sharma, Himanshu; Sharma, Priyank Kumar; Das, Soumyajit","Revisiting indeno[2,1-<i>c</i>]fluorene synthesis while exploring the fully conjugated <i>s</i>-indaceno[2,1-<i>c</i>:6,5-<i>c</i>']difluorene.","Chemical communications (Cambridge, England)","2020","56","76","11319","11322","10.1039/d0cc04418k","","","0.71073","MoKα","","0.093","0.0616","","","0.1574","0.1737","","","","","","1.022","","","","has coordinates","257252","2020-10-21","18:00:00",""
"7127122","12.0902","0.0002","10.2573","0.0002","17.8407","0.0003","90","","91.309","0.001","90","","2211.9","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B10 -","- C23 H26 B10 -","- C92 H104 B40 -","4","1","","Feuerstein, Wolfram; Breher, Frank","Synthetic access to a phosphorescent non-palindromic pincer complex of palladium by a double oxidative addition - comproportionation sequence.","Chemical communications (Cambridge, England)","2020","56","83","12589","12592","10.1039/d0cc04065g","","","0.71073","MoKα","","0.0471","0.0414","","","0.1115","0.1151","","","","","","1.046","","","","has coordinates","260614","2021-01-07","04:34:39",""
"7127123","9.282","0.005","12.71","0.007","14.038","0.007","90","","90.89","0.04","90","","1655.9","1.5","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 Ni -","- C22 H16 N2 Ni -","- C88 H64 N8 Ni4 -","4","1","","Feuerstein, Wolfram; Breher, Frank","Synthetic access to a phosphorescent non-palindromic pincer complex of palladium by a double oxidative addition - comproportionation sequence.","Chemical communications (Cambridge, England)","2020","56","83","12589","12592","10.1039/d0cc04065g","","","0.71073","MoKα","","0.0719","0.0406","","","0.1008","0.1119","","","","","","1.024","","","","has coordinates","260614","2021-01-07","04:34:39",""
"7127124","10.298","0.01","10.352","0.01","17.615","0.017","105.643","0.016","103.514","0.015","90.658","0.014","1753","3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H42 Co4 N6 O18 -","- C58 H42 Co4 N6 O18 -","- C58 H42 Co4 N6 O18 -","1","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","0.71073","MoKα","","0.1179","0.0907","","","0.2318","0.261","","","","","","1.035","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127125","14.3091","0.0015","14.5181","0.0015","17.5565","0.0018","90","","104.706","0.009","90","","3527.7","0.6","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H14 Co2 N2 O8 -","- C26 H14 Co2 N2 O8 -","- C104 H56 Co8 N8 O32 -","4","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","1.34139","GaKα","","0.092","0.0492","","","0.0984","0.1156","","","","","","0.884","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127126","10.696","0.002","13.078","0.003","12.46","0.002","90","0.03","108.79","0.03","90","0.03","1650","0.6","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Co N O4 -","- C13 H7 Co N O4 -","- C52 H28 Co4 N4 O16 -","4","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","1.34139","GaKα","","0.0388","0.0336","","","0.0817","0.0839","","","","","","1.015","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127127","12.8008","0.0006","12.0522","0.0008","28.7469","0.0016","90","","98.444","0.005","90","","4386.9","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 I6 O7 Sm2 -","- C28 H56 I6 O7 Sm2 -","- C112 H224 I24 O28 Sm8 -","4","0.5","","Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.","Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.","Chemical communications (Cambridge, England)","2020","56","77","11441","11444","10.1039/d0cc04115g","","x-ray","0.71073","MoKα","","0.0408","0.0375","","","0.0973","0.1008","","","","","","1.126","","","","has coordinates","257240","2020-10-21","18:00:00",""
"7127128","12.8578","0.0004","14.8418","0.0003","14.8987","0.0005","90","","90","","90","","2843.16","0.14","100","0.1","100","0.1","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H68 I8 O41 Sm6 -","- H68 I8 O41 Sm6 -","- H136 I16 O82 Sm12 -","2","0.25","","Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.","Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.","Chemical communications (Cambridge, England)","2020","56","77","11441","11444","10.1039/d0cc04115g","","x-ray","0.71073","MoKα","","0.0449","0.0443","","","0.09","0.0915","","","","","","1.373","","","","has coordinates,has disorder","257240","2020-10-21","18:00:00",""
"7127129","14.2715","0.0004","22.8583","0.0006","14.2693","0.0003","90","","90.739","0.002","90","","4654.6","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.6 H99.4 I8 N2 O29 Sm6 -","- C37.6 H99.4 I8 N2 O29 Sm6 -","- C75.2 H198.8 I16 N4 O58 Sm12 -","2","0.5","","Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.","Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.","Chemical communications (Cambridge, England)","2020","56","77","11441","11444","10.1039/d0cc04115g","","x-ray","0.71073","MoKα","","0.0619","0.058","","","0.1282","0.1299","","","","","","1.263","","","","has coordinates,has disorder","257240","2020-10-21","18:00:00",""
"7127130","10.3988","0.0009","11.976","0.0009","12.1316","0.0008","86.151","0.006","70.363","0.007","65.045","0.008","1285.2","0.2","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","2","","Niu, Kaikai; Song, Lingyun; Hao, Yanke; Liu, Yuxiu; Wang, Qingmin","Electrochemical decarboxylative C3 alkylation of quinoxalin-2(1<i>H</i>)-ones with <i>N</i>-hydroxyphthalimide esters.","Chemical communications (Cambridge, England)","2020","56","78","11673","11676","10.1039/d0cc05391k","","x-ray","0.71073","MoKα","","0.0521","0.0433","","","0.1099","0.1162","","","","","","1.027","","","","has coordinates","257230","2020-10-21","18:00:00",""
"7127131","9.8911","0.0002","16.0352","0.0004","19.2371","0.0005","88.17","0.002","76.903","0.002","73.041","0.002","2840.61","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94 H150 N4 Si16 -","- C94 H150 N4 Si16 -","- C94 H150 N4 Si16 -","1","0.5","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.0556","0.0477","","","0.1329","0.1419","","","","","","1.035","","","","has coordinates,has disorder","257238","2020-10-21","18:00:00",""
"7127132","14.4193","0.0009","15.3229","0.0007","18.272","0.0006","90","","93.967","0.004","90","","4027.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 O4 Si2 -","- C52 H34 O4 Si2 -","- C208 H136 O16 Si8 -","4","1","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.1001","0.0692","","","0.1897","0.2211","","","","","","1.033","","","","has coordinates,has disorder","257238","2020-10-21","18:00:00",""
"7127133","43.6057","0.0012","8.5663","0.0002","33.257","0.0009","90","","101.568","0.003","90","","12170.5","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C90 H158 N4 Si18 -","- C90 H158 N4 Si18 -","- C360 H632 N16 Si72 -","4","0.5","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.1138","0.0933","","","0.2494","0.2693","","","","","","1.023","","","","has coordinates,has disorder","257238","2020-10-21","18:00:00",""
"7127134","22.1092","0.0012","22.318","0.0013","29.0414","0.0013","74.547","0.004","79.773","0.004","71.053","0.005","12998.3","1.3","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C230 H308 N8 Si36 -","- C230 H308 N8 Si36 -","- C460 H616 N16 Si72 -","2","1","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.2193","0.1286","","","0.3079","0.4078","","","","","","1.02","","","","has coordinates","257238","2020-10-21","18:00:00",""
"7127135","16.1373","0.0004","17.5042","0.0004","21.114","0.0004","90","","90","","90","","5964.1","0.2","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H76 I4 O9 Sm2 -","- C54 H76 I4 O9 Sm2 -","- C216 H304 I16 O36 Sm8 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0573","0.0538","","","0.1331","0.1374","","","","","","1.048","","","","has coordinates,has disorder","260643","2021-01-07","04:41:27",""
"7127136","11.6323","0.0009","12.3012","0.0009","24.5249","0.0018","90","","91.769","0.002","90","","3507.6","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 I2 N5 O Sm -","- C38 H30 I2 N5 O Sm -","- C152 H120 I8 N20 O4 Sm4 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71073","MoKα","","0.0901","0.0682","","","0.1773","0.1934","","","","","","1.045","","","","has coordinates,has disorder","260643","2021-01-07","04:41:27",""
"7127137","15.8733","0.0003","16.1883","0.0003","19.8595","0.0005","90","","103.03","0.001","90","","4971.74","0.18","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H47 I2 N8 O Sm -","- C55 H47 I2 N8 O Sm -","- C220 H188 I8 N32 O4 Sm4 -","4","2","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.1155","0.0981","","","0.2045","0.2161","","","","","","1.136","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127138","9.2854","0.001","15.4014","0.0014","24.686","0.003","90","","100.528","0.004","90","","3470.9","0.6","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 I2 N4 O Sm -","- C33 H29 I2 N4 O Sm -","- C132 H116 I8 N16 O4 Sm4 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71073","MoKα","","0.0594","0.042","","","0.0828","0.0882","","","","","","1.052","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127139","17.8482","0.001","18.0365","0.001","12.5808","0.0007","90","","117.094","0.002","90","","3605.6","0.4","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C200 H144 N16 O8 -","8","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0625","0.0477","","","0.1203","0.1315","","","","","","1.05","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127140","8.1307","0.0004","14.6655","0.0008","11.5353","0.0006","90","","95.749","0.003","90","","1368.56","0.12","150","0.1","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0643","0.0456","","","0.1093","0.1225","","","","","","1.047","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127141","11.4446","0.0005","11.9484","0.0006","14.6103","0.0007","78.322","0.002","81.909","0.001","84.338","0.001","1931.97","0.16","150","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H31 I2 N6 O Sm -","- C41 H31 I2 N6 O Sm -","- C82 H62 I4 N12 O2 Sm2 -","2","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0218","0.0195","","","0.0472","0.0486","","","","","","1.031","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127142","8.1811","0.0005","17.8856","0.0012","21.2028","0.0014","90","","90","","90","","3102.5","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br F3 O3 -","- C14 H14 Br F3 O3 -","- C112 H112 Br8 F24 O24 -","8","2","","Murata, Ryuichi; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Desymmetrization of gem-diols via water-assisted organocatalytic enantio- and diastereoselective cycloetherification.","Chemical communications (Cambridge, England)","2020","56","82","12335","12338","10.1039/d0cc05509c","","","0.71075","MoKα","","","0.0528","","","","0.1186","","","","","","1.018","","","","has coordinates","260723","2021-01-07","05:01:23",""
"7127143","6.382","0.005","14.0024","0.001","15.777","0.01","90","","90","","90","","1409.9","1.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C56 H48 Br4 F12 O8 -","4","1","","Murata, Ryuichi; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Desymmetrization of gem-diols via water-assisted organocatalytic enantio- and diastereoselective cycloetherification.","Chemical communications (Cambridge, England)","2020","56","82","12335","12338","10.1039/d0cc05509c","","","0.71075","MoKα","","","0.039","","","","0.0842","","","","","","0.953","","","","has coordinates","260723","2021-01-07","05:01:24",""
"7127144","10.162","0.015","19.1","0.03","8.941","0.013","90","","109.78","0.018","90","","1633","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Zhang, Xiao-Wen; Zhang, Hui; Wang, Hu-Chong; Zhu, Ming-Hui; Cong, Hengjiang; Liu, Wen-Bo","Pd-catalyzed arylation/aza-Michael addition cascade to C2-spiroindolines and azabicyclo[3.2.2]nonanones.","Chemical communications (Cambridge, England)","2020","56","80","12013","12016","10.1039/d0cc04935b","","","0.71073","MoKα","","0.0581","0.0484","","","0.1261","0.1373","","","","","","1.04","","","","has coordinates","260662","2021-01-07","04:47:39",""
"7127145","13.7872","0.0005","16.2182","0.0008","9.4765","0.0004","90","","96.759","0.003","90","","2104.25","0.16","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 N O -","- C27 H27 N O -","- C108 H108 N4 O4 -","4","1","","Zhang, Xiao-Wen; Zhang, Hui; Wang, Hu-Chong; Zhu, Ming-Hui; Cong, Hengjiang; Liu, Wen-Bo","Pd-catalyzed arylation/aza-Michael addition cascade to C2-spiroindolines and azabicyclo[3.2.2]nonanones.","Chemical communications (Cambridge, England)","2020","56","80","12013","12016","10.1039/d0cc04935b","","","1.54178","CuKα","","0.0411","0.0403","","","0.105","0.1063","","","","","","1.049","","","","has coordinates","260662","2021-01-07","04:47:39",""
"7127146","5.7668","0.0015","11.743","0.003","28.998","0.007","95.169","0.006","90.067","0.006","102.805","0.007","1906.7","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Cl O P -","- C21 H30 Cl O P -","- C84 H120 Cl4 O4 P4 -","4","2","","Shintani, Ryo; Ohzono, Ayase; Shirota, Kentaro","Phosphinative cyclopropanation of allyl phosphates with lithium phosphides.","Chemical communications (Cambridge, England)","2020","56","79","11851","11854","10.1039/d0cc04854b","","","0.71075","MoKα","","0.0731","0.0623","","","0.1669","0.1708","","","","","","1.008","","","","has coordinates","260644","2021-01-07","04:41:35",""
"7127147","11.4617","0.0004","4.2206","0.0001","19.5436","0.0006","90","","90.441","0.003","90","","945.4","0.05","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0311","0.0286","","","0.0737","0.075","","","","","","1.049","","","","has coordinates","260660","2021-01-07","04:46:44",""
"7127148","11.4724","0.0004","4.2238","0.0001","19.5467","0.0006","90","","90.445","0.003","90","","947.15","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0436","0.0411","","","0.1092","0.1115","","","","","","1.043","","","","has coordinates","260660","2021-01-07","04:46:45",""
"7127149","11.538","0.0006","4.2653","0.0002","19.7023","0.0013","90","","90.478","0.005","90","","969.58","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.1673","0.1505","","","0.3532","0.39","","","","","","1.578","","","","has coordinates","260660","2021-01-07","04:46:45",""
"7127150","11.4918","0.0004","4.232","0.0001","19.5567","0.0007","90","","90.451","0.003","90","","951.08","0.05","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0389","0.0363","","","0.0911","0.0927","","","","","","1.08","","","","has coordinates","260660","2021-01-07","04:46:45",""
"7127151","6.48035","0.00014","17.3087","0.0003","19.7454","0.0004","90","","90","","90","","2214.77","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B O4 -","- C24 H29 B O4 -","- C96 H116 B4 O16 -","4","1","","Sun, Xiao; Gu, Peiming; Qin, Jiao; Su, Yan","Rhodium-catalysed diastereo- and enantio-selective cyclopropanation of α-boryl styrenes.","Chemical communications (Cambridge, England)","2020","56","82","12379","12382","10.1039/d0cc02549f","","","1.54184","CuKα","","0.0367","0.0344","","","0.0874","0.0893","","","","","","1.048","","","","has coordinates","260719","2021-01-07","05:00:51",""
"7127152","8.9829","0.0006","15.1174","0.0008","20.8813","0.0007","97.411","0.004","94.728","0.004","90.909","0.005","2801.4","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","Zn(hfac)2(aH-PyBTM)2","","- C46 H16 Cl16 F12 N2 O4 Zn -","- C46 H16 Cl16 F12 N2 O4 Zn -","- C92 H32 Cl32 F24 N4 O8 Zn2 -","2","1","","Kimura, Shun; Kimura, Shojiro; Nishihara, Hiroshi; Kusamoto, Tetsuro","Excimer emission and magnetoluminescence of radical-based zinc(II) complexes doped in host crystals.","Chemical communications (Cambridge, England)","2020","56","76","11195","11198","10.1039/d0cc04830e","","x-ray","0.71073","MoKα","","0.1285","0.0792","","","0.2202","0.2601","","","","","","1.09","","","","has coordinates,has disorder","257246","2020-10-21","18:00:00",""
"7127153","7.556","0.0003","8.4678","0.0003","13.593","0.0005","90","","96.564","0.002","90","","864.02","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B2 F12 -","- C16 H10 B2 F12 -","- C32 H20 B4 F24 -","2","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.0526","0.0438","","","0.096","0.1","","","","","","1.049","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127154","18.4614","0.0006","34.6525","0.001","11.8617","0.0004","90","","90","","90","","7588.3","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H50 B2 O2 Si4 -","- C32 H50 B2 O2 Si4 -","- C256 H400 B16 O16 Si32 -","8","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.0373","0.0332","","","0.0802","0.0828","","","","","","1.059","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127155","10.9779","0.0003","13.7265","0.0003","18.8688","0.0004","90","","90","","90","","2843.3","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 B F9 O Si2 -","- C25 H26 B F9 O Si2 -","- C100 H104 B4 F36 O4 Si8 -","4","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.031","0.0291","","","0.0742","0.075","","","","","","1.064","","","","has coordinates,has disorder","260619","2021-01-07","04:35:39",""
"7127156","8.7742","0.0005","9.5777","0.0006","11.1573","0.0007","98.124","0.002","99.074","0.002","113.422","0.002","827.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 B2 F12 N2 -","- C34 H28 B2 F12 N2 -","- C34 H28 B2 F12 N2 -","1","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.0857","0.0624","","","0.1289","0.1388","","","","","","1.065","","","","has coordinates,has disorder","260619","2021-01-07","04:35:39",""
"7127157","10.311","0.0003","14.3855","0.0005","21.2243","0.0007","90","","103.129","0.001","90","","3065.89","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 B F6 N -","- C35 H34 B F6 N -","- C140 H136 B4 F24 N4 -","4","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.0461","0.0393","","","0.1032","0.1091","","","","","","1.045","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127158","13.3784","0.0011","14.431","0.0013","16.3141","0.0014","65.319","0.002","66.05","0.002","78.62","0.002","2614","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 B2 F12 Si4 -","- C48 H54 B2 F12 Si4 -","- C96 H108 B4 F24 Si8 -","2","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.1128","0.0601","","","0.1404","0.1739","","","","","","1.027","","","","has coordinates,has disorder","260619","2021-01-07","04:35:39",""
"7127159","13.3555","0.0003","31.172","0.0007","11.7335","0.0003","90","","90","","90","","4884.9","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H50 B2 F12 S2 Si4 -","- C44 H50 B2 F12 S2 Si4 -","- C176 H200 B8 F48 S8 Si16 -","4","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.0521","0.0413","","","0.0975","0.1035","","","","","","1.056","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127160","8.7063","0.0004","17.2992","0.001","18.1817","0.0009","90","","93.565","0.003","90","","2733.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B F6 N -","- C31 H32 B F6 N -","- C124 H128 B4 F24 N4 -","4","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.0994","0.063","","","0.14","0.1599","","","","","","1.033","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127161","21.4278","0.0011","4.9469","0.0002","15.5164","0.0008","90","","107.158","0.002","90","","1571.56","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-PIT","2 pyrene imine thiol","","- C23 H13 N S -","- C23 H13 N S -","- C92 H52 N4 S4 -","4","1","","Jana, Arijit; Chakraborty, Papri; Dar, Wakeel Ahmed; Chandra, Sourov; Khatun, Esma; Kannan, M. P.; Ras, Robin H. A.; Pradeep, Thalappil","Dual emitting Ag<sub>35</sub> nanocluster protected by 2-pyrene imine thiol.","Chemical communications (Cambridge, England)","2020","56","83","12550","12553","10.1039/d0cc03983g","","","0.71073","MoKα","","0.0888","0.0679","","","0.1488","0.16","","","","","","1.15","","","","has coordinates","260616","2021-01-07","04:34:53",""
"7127162","17.6218","0.0016","36.0338","0.0019","50.356","0.002","90","","90","","90","","31975","4","123","10","123","10","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","[Mn(NCP2)2]","catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)-manganese)","","- C52 H30 Mn N8 O4 -","- C52 H30 Mn N8 O4 -","- C832 H480 Mn16 N128 O64 -","16","0.5","","Setter, Caitlin J.; Price, Michael B.; Conte, Luke; Schmitt, Wolfgang; Batten, Stuart R.; Richardson, Christopher; Hill, Matthew R.; Babarao, Ravichandar; Macreadie, Lauren K.","Mixed donor, phenanthroline photoactive MOFs with favourable CO<sub>2</sub> selectivity.","Chemical communications (Cambridge, England)","2020","56","87","13377","13380","10.1039/d0cc05715k","","","1.54178","CuKα","","0.1638","0.0958","","","0.238","0.2762","","","","","","0.925","","","","has coordinates","260707","2021-01-07","04:59:00",""
"7127163","8.403","0.0017","24.858","0.005","33.616","0.007","90","","90","","90","","7022","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Zn(NCP2)2(O2CH)2]","catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)bis(mu2-methanoato)-di-zinc)","","- C54 H32 N8 O8 Zn2 -","- C54 H32 N8 O8 Zn2 -","- C216 H128 N32 O32 Zn8 -","4","1","","Setter, Caitlin J.; Price, Michael B.; Conte, Luke; Schmitt, Wolfgang; Batten, Stuart R.; Richardson, Christopher; Hill, Matthew R.; Babarao, Ravichandar; Macreadie, Lauren K.","Mixed donor, phenanthroline photoactive MOFs with favourable CO<sub>2</sub> selectivity.","Chemical communications (Cambridge, England)","2020","56","87","13377","13380","10.1039/d0cc05715k","","","0.71073","synchrotron","","0.0842","0.0504","","","0.1316","0.1498","","","","","","0.988","","","","has coordinates","260707","2021-01-07","04:59:00",""
"7127164","14.3753","0.0011","22.1443","0.0017","23.4355","0.0019","100.425","0.003","103.832","0.003","100.857","0.003","6911.6","1","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H79 B Cl2 Dy N5 O2 Si2 -","- C78 H79 B Cl2 Dy N5 O2 Si2 -","- C312 H316 B4 Cl8 Dy4 N20 O8 Si8 -","4","2","","Canaj, Angelos B.; Dey, Sourav; Wilson, Claire; Céspedes, Oscar; Rajaraman, Gopalan; Murrie, Mark","Engineering macrocyclic high performance pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2020","56","80","12037","12040","10.1039/d0cc04559d","","","0.71073","MoKα","","0.0881","0.0682","","","0.1824","0.1988","","","","","","1.051","","","","has coordinates,has disorder","260665","2021-01-07","04:48:01",""
"7127165","7.6321","0.0011","10.9503","0.0016","12.4367","0.0018","92.39","0.003","95.911","0.002","100.137","0.003","1015.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","2","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.1626","0.0549","","","0.1335","0.1839","","","","","","0.976","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127166","8.8524","0.0018","10.434","0.002","15.937","0.003","87.131","0.002","87.135","0.002","88.571","0.002","1468","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N6 O14 Yb -","- C21 H27 N6 O14 Yb -","- C42 H54 N12 O28 Yb2 -","2","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0562","0.0457","","","0.1113","0.1205","","","","","","0.907","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127167","11.8129","0.0002","10.3804","0.0002","6.9487","0.0001","90","","100.27","0.0013","90","","838.42","0.02","173","","172.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N4 O10 -","- C12 H20 N4 O10 -","- C24 H40 N8 O20 -","2","0.5","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0857","0.0542","","","0.1407","0.1632","","","","","","1.0609","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127168","9.6712","0.0002","11.3857","0.0003","12.687","0.0003","90","","96.475","0.001","90","","1388.1","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.25 H2.25 Ho0.25 N0.5 O2.5 -","- C2.25 H2.25 Ho0.25 N0.5 O2.5 -","- C36 H36 Ho4 N8 O40 -","16","4","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0656","0.0411","","","0.0933","0.1051","","","","","","0.999","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127169","12.0981","0.0019","17.5518","0.0019","18.316","0.002","90","","98.538","0.007","90","","3846.2","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 Ho N8 O18 -","- C24 H28 Ho N8 O18 -","- C96 H112 Ho4 N32 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0902","0.058","","","0.155","0.1747","","","","","","1.083","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127170","12.038","0.005","17.562","0.005","18.345","0.007","90","","98.384","0.005","90","","3837","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 Lu N8 O18 -","- C24 H28 Lu N8 O18 -","- C96 H112 Lu4 N32 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.052","0.0415","","","0.1176","0.1255","","","","","","1.071","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127171","11.897","0.007","12.988","0.008","14.598","0.011","63.692","0.006","79.555","0.01","74.701","0.007","1945","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H48 N4 O19 Tm -","- C27 N4 O19 Tm -","- C54 N8 O38 Tm2 -","2","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0511","0.0386","","","0.1102","0.1229","","","","","","0.895","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127172","14.67","0.0013","11.5086","0.001","9.198","0.001","90","","121.404","0.001","90","","1325.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H7 Er N2 O10.5 -","- C8 H7 Er N2 O10.5 -","- C32 H28 Er4 N8 O42 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0254","0.0225","","","0.0517","0.054","","","","","","1.143","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127173","10.023","0.002","17.357","0.004","14.354","0.003","90","","99.312","0.012","90","","2464.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Ho2 N4 O20 -","- C16 H14 Ho2 N4 O20 -","- C64 H56 Ho8 N16 O80 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.1019","0.0517","","","0.1237","0.1504","","","","","","0.957","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127174","12.0002","0.0002","17.5085","0.0003","18.066","0.0004","90","","98.6189","0.0008","90","","3752.9","0.12","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H35 Lu N10 O18 -","- C28 H35 Lu N10 O18 -","- C112 H140 Lu4 N40 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0506","0.0367","","","0.0982","0.1099","","","","","","0.739","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127175","12.0526","0.0019","17.5649","0.0019","18.317","0.002","90","","98.558","0.007","90","","3834.6","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 N8 O18 Tm -","- C24 H28 N8 O18 Tm -","- C96 H112 N32 O72 Tm4 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0955","0.0558","","","0.1491","0.1739","","","","","","0.966","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127176","11.6122","0.0001","12.8415","0.0002","14.4646","0.0002","64.182","0.001","80.639","0.001","75.308","0.001","1874.77","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H48 N4 O19 Yb -","- C27 H48 N4 O19 Yb -","- C54 H96 N8 O38 Yb2 -","2","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0744","0.0489","","","0.1597","0.2008","","","","","","0.748","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127177","12.0684","0.0003","17.5403","0.0004","18.0493","0.0004","90","","98.685","0.001","90","","3776.93","0.15","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5.09 H6.36 N1.82 O3.27 Y0.18 -","- C5.09091 H6.36364 N1.81818 O3.27273 Y0.181818 -","- C112 H140 N40 O72 Y4 -","22","5.5","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0873","0.0556","","","0.1408","0.1592","","","","","","0.949","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127178","22.125","0.009","8.337","0.004","12.839","0.005","90","","90","","90","","2368.2","1.8","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H35 Cl2 N2 Ni Rh S2 -","- C19 H35 Cl2 N2 Ni Rh S2 -","- C76 H140 Cl8 N8 Ni4 Rh4 S8 -","4","1","","Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji","A NiRhS fuel cell catalyst - lessons from hydrogenase.","Chemical communications (Cambridge, England)","2020","56","79","11787","11790","10.1039/d0cc04789a","","","0.71075","MoKα","","0.0258","0.025","","","0.0549","0.0554","","","","","","1.013","","","","has coordinates","260645","2021-01-07","04:41:50",""
"7127179","15.669","0.006","14.306","0.005","20.014","0.008","90","","90","","90","","4486","3","103","","103","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H36 Cl N2 Ni Rh S2 -","- C19 H36 Cl N2 Ni Rh S2 -","- C152 H288 Cl8 N16 Ni8 Rh8 S16 -","8","1","","Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji","A NiRhS fuel cell catalyst - lessons from hydrogenase.","Chemical communications (Cambridge, England)","2020","56","79","11787","11790","10.1039/d0cc04789a","","","0.71075","MoKα","","0.1104","0.0896","","","0.1807","0.1919","","","","","","1.22","","","","has coordinates","260645","2021-01-07","04:41:51",""
"7127180","6.6359","0.0009","7.5137","0.001","34.018","0.005","90","","90","","90","","1696.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B P -","- C17 H24 B P -","- C68 H96 B4 P4 -","4","1","","Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming","Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.","Chemical communications (Cambridge, England)","2020","56","79","11775","11778","10.1039/d0cc05340f","","","0.71073","MoKα","","0.0603","0.0586","","","0.1426","0.143","","","","","","1.248","","","","has coordinates","260641","2021-01-07","04:40:37",""
"7127181","11.2902","0.0016","12.3392","0.0018","13.6341","0.0019","90","","90","","90","","1899.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B P -","- C20 H28 B P -","- C80 H112 B4 P4 -","4","1","","Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming","Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.","Chemical communications (Cambridge, England)","2020","56","79","11775","11778","10.1039/d0cc05340f","","","0.71073","MoKα","","0.041","0.0358","","","0.0948","0.1017","","","","","","1.078","","","","has coordinates","260641","2021-01-07","04:40:37",""
"7127182","14.9903","0.0009","5.9477","0.0004","16.5251","0.0015","90","","110.467","0.004","90","","1380.34","0.18","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-{[(Phenylsulfanyl)methyl]sulfanyl}naphthalene","","- C17 H14 S2 -","- C17 H14 S2 -","- C68 H56 S8 -","4","1","","Ielo, Laura; Pillari, Veronica; Gajic, Natalie; Holzer, Wolfgang; Pace, Vittorio","Straightforward chemoselective access to unsymmetrical dithioacetals through a thiosulfonate homologation-nucleophilic substitution sequence.","Chemical communications (Cambridge, England)","2020","56","82","12395","12398","10.1039/d0cc04896h","","x-ray","0.71073","MoKα","","0.0414","0.0324","","","0.0722","0.0776","","","","","","1.052","","","","has coordinates","260718","2021-01-07","05:00:44",""
"7127183","9.5155","0.0011","4.8412","0.0004","13.9736","0.0018","90","","96.436","0.005","90","","639.66","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-{[(Phenylsulfanyl)methyl]sulfanyl}-1,3-benzoxazole","","- C14 H11 N O S2 -","- C14 H11 N O S2 -","- C28 H22 N2 O2 S4 -","2","1","","Ielo, Laura; Pillari, Veronica; Gajic, Natalie; Holzer, Wolfgang; Pace, Vittorio","Straightforward chemoselective access to unsymmetrical dithioacetals through a thiosulfonate homologation-nucleophilic substitution sequence.","Chemical communications (Cambridge, England)","2020","56","82","12395","12398","10.1039/d0cc04896h","","x-ray","0.71073","MoKα","","0.0423","0.0303","","","0.0555","0.068","","","","","","1.148","","","","has coordinates","260718","2021-01-07","05:00:45",""
"7127184","16.4219","0.0005","7.1899","0.0002","16.4782","0.0007","90","","118.374","0.001","90","","1711.87","0.1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1',1''-({[(Methylsulfanyl)methyl]sulfanyl}methanetriyl)tribenzene","","- C21 H20 S2 -","- C21 H20 S2 -","- C84 H80 S8 -","4","1","","Ielo, Laura; Pillari, Veronica; Gajic, Natalie; Holzer, Wolfgang; Pace, Vittorio","Straightforward chemoselective access to unsymmetrical dithioacetals through a thiosulfonate homologation-nucleophilic substitution sequence.","Chemical communications (Cambridge, England)","2020","56","82","12395","12398","10.1039/d0cc04896h","","x-ray","0.71073","MoKα","","0.0335","0.0287","","","0.0702","0.0732","","","","","","1.069","","","","has coordinates","260718","2021-01-07","05:00:45",""
"7127185","19.6562","0.0004","28.6975","0.0005","21.2232","0.0004","90","","90","","90","","11971.7","0.4","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C214 H282 Au10 O22 S2 -","- C214 H282 Au10 O22 S2 -","- C428 H564 Au20 O44 S4 -","2","0.5","","Xu, Man-Man; Jia, Tong-Tong; Li, Bingjie; Ma, Wang; Chen, Xiaoyuan; Zhao, Xueli; Zang, Shuang-Quan","Tuning the properties of atomically precise gold nanoclusters for biolabeling and drug delivery.","Chemical communications (Cambridge, England)","2020","56","62","8766","8769","10.1039/d0cc03498c","","x-ray","0.71073","MoKα","","0.076","0.046","","","0.1064","0.1138","","","","","","1.093","","","","has coordinates","255895","2020-10-21","18:00:00",""
"7127186","12.18","0.002","15.906","0.003","33.211","0.007","90","","93.15","0.03","90","","6424","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H59 Cl11 N8 O8 Pd2 -","- C53 H59 Cl11 N8 O8 Pd2 -","- C212 H236 Cl44 N32 O32 Pd8 -","4","1","","Scattolin, Thomas; Bortolamiol, Enrica; Palazzolo, Stefano; Caligiuri, Isabella; Perin, Tiziana; Canzonieri, Vincenzo; Demitri, Nicola; Rizzolio, Flavio; Cavallo, Luigi; Dereli, Busra; Mane, Manoj V.; Nolan, Steven P.; Visentin, Fabiano","The anticancer activity of an air-stable Pd(I)-NHC (NHC = N-heterocyclic carbene) dimer.","Chemical communications (Cambridge, England)","2020","56","81","12238","12241","10.1039/d0cc03883k","","","0.6203","Synchrotron","","0.0702","0.0529","","","0.1426","0.1534","","","","","","1.034","","","","has coordinates,has disorder","260623","2021-01-07","04:36:34",""
"7127187","8.71695","0.00013","13.36161","0.00018","17.6913","0.0002","90","","90","","90","","2060.55","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O5 S2 -","- C22 H21 N O5 S2 -","- C88 H84 N4 O20 S8 -","4","1","","Yang, Lei; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yuan, Wei-Cheng","Organocatalytic enantioselective tandem sulfa-Michael/aldol reaction to access dihydrothiopyran-fused benzosulfolane skeletons bearing three contiguous stereocenters.","Chemical communications (Cambridge, England)","2020","56","82","12363","12366","10.1039/d0cc04840b","","x-ray","1.54184","CuKα","","0.0377","0.0368","","","0.0982","0.0996","","","","","","1.09","","","","has coordinates","260720","2021-01-07","05:00:57",""
"7127188","7.8266","0.0004","13.136","0.0006","13.1894","0.0005","90","","90","","90","","1356.01","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O3 S2 -","- C15 H12 O3 S2 -","- C60 H48 O12 S8 -","4","1","","Yang, Lei; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yuan, Wei-Cheng","Organocatalytic enantioselective tandem sulfa-Michael/aldol reaction to access dihydrothiopyran-fused benzosulfolane skeletons bearing three contiguous stereocenters.","Chemical communications (Cambridge, England)","2020","56","82","12363","12366","10.1039/d0cc04840b","","x-ray","1.54184","CuKα","","0.0451","0.0399","","","0.0977","0.103","","","","","","1.063","","","","has coordinates","260720","2021-01-07","05:00:57",""
"7127189","16.3139","0.0003","19.5375","0.0003","22.4893","0.0004","71.332","0.002","72.996","0.002","79.948","0.002","6468.1","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C119.5 H108 Cl4 P8 Rh4 S2 -","- C119.5 H108 Cl4 P8 Rh4 S2 -","- C239 H216 Cl8 P16 Rh8 S4 -","2","1","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","1.54184","CuKα","","0.0858","0.0728","","","0.2055","0.2249","","","","","","1.062","","","","has coordinates","260611","2021-01-07","04:33:56",""
"7127190","5.0083","0.0002","9.7548","0.0003","31.964","0.001","90","","92.576","0.002","90","","1560.02","0.09","373","2","373","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br Cl I N O2 -","- C15 H10 Br Cl I N O2 -","- C60 H40 Br4 Cl4 I4 N4 O8 -","4","1","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","0.71073","MoKα","","0.0498","0.0416","","","0.1013","0.1059","","","","","","1.074","","","","has coordinates,has disorder","260611","2021-01-07","04:33:56",""
"7127191","12.7306","0.0002","15.6417","0.0003","30.6406","0.0004","90","","92.455","0.001","90","","6095.81","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 Cl5 O5 P4 Rh2 S -","- C58 H53 Cl5 O5 P4 Rh2 S -","- C232 H212 Cl20 O20 P16 Rh8 S4 -","4","1","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","1.54184","CuKα","","0.0597","0.0485","","","0.1209","0.1282","","","","","","1.034","","","","has coordinates","260611","2021-01-07","04:33:56",""
"7127192","16.2884","0.0004","20.0388","0.0005","22.3244","0.0006","70.671","0.002","75.071","0.002","80.2","0.002","6615","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C123 H112 Cl4 P8 Rh4 Se2 -","- C123 H112 Cl4 P8 Rh4 Se2 -","- C246 H224 Cl8 P16 Rh8 Se4 -","2","1","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","1.54184","CuKα","","0.1053","0.0833","","","0.2326","0.2599","","","","","","1.025","","","","has coordinates","260611","2021-01-07","04:33:56",""
"7127193","7.034","0.0001","16.0025","0.0002","13.2355","0.0002","90","","100.358","0.001","90","","1465.53","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0978","0.0936","","","0.2227","0.2285","","","","","","1.101","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127194","14.4303","0.0002","7.16982","0.00009","14.45517","0.00018","90","","90.2129","0.0013","90","","1495.56","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.053","0.0469","","","0.1302","0.1357","","","","","","1.04","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127195","13.6891","0.0004","7.0857","0.0002","14.1959","0.0005","90","","91.491","0.003","90","","1376.49","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10.29 H9.14 O1.14 -","- C10.2857 H9.14286 O1.14286 -","- C72 H64 O8 -","7","1.75","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0545","0.0475","","","0.1287","0.1374","","","","","","1.034","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127196","7.2898","0.0002","15.8113","0.0004","25.4414","0.0009","90","","90","","90","","2932.41","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10.86 H10.29 O1.14 -","- C10.8571 H10.2857 O1.14286 -","- C152 H144 O16 -","14","1.75","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0737","0.0659","","","0.1652","0.1764","","","","","","1.035","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127197","20.5228","0.0005","8.2219","0.0002","17.4215","0.0003","90","","96.111","0.002","90","","2922.94","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 O6 -","- C38 H32 O6 -","- C152 H128 O24 -","4","1","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0551","0.0482","","","0.1391","0.1458","","","","","","1.11","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127198","8.405","0.0019","10.003","0.002","15.623","0.004","71.488","0.004","78.914","0.005","66.772","0.003","1141.2","0.5","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br Cl3 N2 O -","- C23 H18 Br Cl3 N2 O -","- C46 H36 Br2 Cl6 N4 O2 -","2","1","","Zhao, Peng; Yu, Xiao-Xiao; Zhou, You; Huang, Chun; Wu, Yan-Dong; Zhu, Yan-Ping; Wu, An-Xin","Arylacetylenes as two-carbon synthons: synthesis of eight-membered rings via C[triple bond, length as m-dash]C bond cleavage.","Chemical communications (Cambridge, England)","2020","56","83","12554","12557","10.1039/d0cc05363e","","","0.71073","MoKα","","0.0744","0.0606","","","0.1644","0.1799","","","","","","1.082","","","","has coordinates","260617","2021-01-07","04:35:00",""
"7127199","13.602","0.003","13.685","0.003","19.401","0.004","90","","99.361","0.003","90","","3563.3","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","1","","Zhao, Peng; Yu, Xiao-Xiao; Zhou, You; Huang, Chun; Wu, Yan-Dong; Zhu, Yan-Ping; Wu, An-Xin","Arylacetylenes as two-carbon synthons: synthesis of eight-membered rings via C[triple bond, length as m-dash]C bond cleavage.","Chemical communications (Cambridge, England)","2020","56","83","12554","12557","10.1039/d0cc05363e","","","0.71073","MoKα","","0.0592","0.0486","","","0.1408","0.1557","","","","","","1.057","","","","has coordinates","260617","2021-01-07","04:35:00",""
"7127200","28.3648","0.0005","12.213","0.0001","32.5843","0.0005","90","","111.394","0.002","90","","10510","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","1-BArF","","- C49 H63 B F6 N3 O P2 Rh -","- C49 H63 B F6 N3 O P2 Rh -","- C392 H504 B8 F48 N24 O8 P16 Rh8 -","8","1","","MacNeil, Connor S.; Hsiang, Shou-Jen; Hayes, Paul G.","Reversible dehydrogenation of a primary aryl borane.","Chemical communications (Cambridge, England)","2020","56","82","12323","12326","10.1039/d0cc05503d","","x-ray","0.71073","MoKα","","0.0285","0.0261","","","0.0646","0.0657","","","","","","1.035","","","","has coordinates","260725","2021-01-07","05:01:50",""
"7127201","14.5167","0.0003","18.5067","0.0004","19.7008","0.0006","65.627","0.002","88.777","0.002","77.349","0.002","4689.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","1-BMes","","- C44 H63 B N3 O P2 Rh -","- C44 H63 B N3 O P2 Rh -","- C176 H252 B4 N12 O4 P8 Rh4 -","4","2","","MacNeil, Connor S.; Hsiang, Shou-Jen; Hayes, Paul G.","Reversible dehydrogenation of a primary aryl borane.","Chemical communications (Cambridge, England)","2020","56","82","12323","12326","10.1039/d0cc05503d","","x-ray","1.54184","CuKα","","0.0837","0.0759","","","0.2061","0.2131","","","","","","1.08","","","","has coordinates","260725","2021-01-07","05:01:50",""
"7127202","8.1661","0.0002","25.3026","0.0005","10.7553","0.0002","90","","96.512","0.001","90","","2207.96","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C108 H96 N8 O8 S4 -","4","1","","Tan, Heng; Khan, Ruhima; Xu, Dandan; Zhou, Yongyun; Zhang, Xuexin; Shi, Guangrui; Fan, Baomin","Cobalt-catalyzed ring-opening addition of azabenzonorbornadienes via C(sp<sup>3</sup>)-H bond activation of 8-methylquinoline.","Chemical communications (Cambridge, England)","2020","56","83","12570","12573","10.1039/d0cc05374k","","","1.54178","CuKα","","0.0384","0.0354","","","0.0923","0.0949","","","","","","1.037","","","","has coordinates","260610","2021-01-07","04:33:10",""
"7127203","21.609","0.005","49.509","0.012","28.125","0.007","90","","111.398","0.003","90","","28015","12","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C279 H381 O48 -","- C269 H366 O45 -","- C1076 H1464 O180 -","4","1","","Shimoyama, Daisuke; Sekiya, Ryo; Haino, Takeharu","Absorption of chemicals in amorphous trisresorcinarene.","Chemical communications (Cambridge, England)","2020","56","83","12582","12585","10.1039/d0cc05066k","","","0.71073","MoKα","","0.2741","0.1611","","","0.3963","0.446","","","","","","1.185","","","","has coordinates","260613","2021-01-07","04:34:29",""
"7127204","4.3265","0.0001","13.4831","0.0002","12.3293","0.0003","90","","93.614","0.002","90","","717.79","0.03","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H8 Cl F N2 O4 -","- C15 H8 Cl F N2 O4 -","- C30 H16 Cl2 F2 N4 O8 -","2","1","","Peng, Qiupeng; Guo, Donghui; Zhang, Bei; Liu, Lala; Wang, Jian","Benzotetramisole catalyzed kinetic resolution of 2H-azirines.","Chemical communications (Cambridge, England)","2020","56","82","12427","12430","10.1039/d0cc05379a","","x-ray","1.54184","CuKα","","0.0377","0.0359","","","0.0937","0.0962","","","","","","1.026","","","","has coordinates","260717","2021-01-07","05:00:28",""
"7127205","33.803","0.007","13.242","0.003","13.405","0.003","90","","108.746","0.003","90","","5682","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 N4 O8 S2 -","- C69.9992 H75.9984 N4 O8 S2 -","- C279.997 H303.994 N16 O32 S8 -","4","0.5","","Ohtsuka, Nobuhiko; Nakano, Masahiro; Nakagawa, Sae; Shahiduzzaman, Md; Karakawa, Makoto; Taima, Tetsuya; Minoura, Mao","Naphthalene diimide-incorporated helical thienoacene: a helical molecule with high electron mobility, good solubility, and thermally stable solid phase.","Chemical communications (Cambridge, England)","2020","56","82","12343","12346","10.1039/d0cc04634e","","","0.4268","synchrotron","","0.1177","0.0733","","","0.1942","0.2717","","","","","","1.108","","","","has coordinates,has disorder","260722","2021-01-07","05:01:13",""
"7127206","9.6932","0.0005","10.7179","0.0006","21.842","0.0011","90","","90","","90","","2269.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br N O -","- C27 H26 Br N O -","- C108 H104 Br4 N4 O4 -","4","1","","Zhang, Yu; Li, Yuan; Zhou, Wei; Zhang, Mengru; Zhang, Qian; Jia, Ran; Zhao, Jinbo","Assembly of polysubstituted chiral cyclopropylamines via highly enantioselective Cu-catalyzed three-component cyclopropene alkenylamination.","Chemical communications (Cambridge, England)","2020","56","81","12250","12253","10.1039/d0cc01060j","","","1.54178","CuKα","","0.0322","0.0282","","","0.0623","0.064","","","","","","1.072","","","","has coordinates","260620","2021-01-07","04:35:46",""
"7127207","17.2","0.0012","17.2","0.0012","17.2","0.0012","90","","90","","90","","5088.4","0.6","292","2","292","","","","","","","","","5","P -4 21 m","P -4 2ab","113","WUF-52","","","- C51 H33 N3 O13 Zn4 -","- C51 H33 N2.5 O13 Zn4 -","- C102 H66 N5 O26 Zn8 -","2","0.25","","Fishburn, Mitchell G.; Skelton, Dayne R.; Telfer, Shane G.; Wagner, Pawel; Richardson, Christopher","Second-order programming the synthesis of metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","82","12355","12358","10.1039/d0cc05451h","","","1.54178","CuKα","","0.1106","0.1015","","","0.2332","0.2487","","","","","","1.088","","","","has coordinates,has disorder","260716","2021-01-07","05:00:22",""
"7127208","10.5406","0.0003","10.8847","0.0002","13.6301","0.0004","94.515","0.002","101.132","0.002","96.424","0.002","1516.65","0.07","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(((1-(4,4'-bis(methoxycarbonyl)-[1,1'-biphenyl]-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-[1,1'-biphenyl]-4,4'-dicarboxylate","","- C35 H30 N4 O8 -","- C35 H30 N4 O8 -","- C70 H60 N8 O16 -","2","1","","Fishburn, Mitchell G.; Skelton, Dayne R.; Telfer, Shane G.; Wagner, Pawel; Richardson, Christopher","Second-order programming the synthesis of metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","82","12355","12358","10.1039/d0cc05451h","","x-ray","0.71073","MoKα","","0.0628","0.0429","","","0.1136","0.1249","","","","","","1.057","","","","has coordinates","260716","2021-01-07","05:00:22",""
"7127209","16.06","0.0008","13.0072","0.0008","13.9753","0.0007","90","","99.72","0.006","90","","2877.5","0.3","135.01","","135.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H6 Cl2 N5 O3 Re -","- C10.5 H6 Cl2 N5 O3 Re -","- C84 H48 Cl16 N40 O24 Re8 -","8","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","1.54178","CuKα","","0.0888","0.075","","","0.1901","0.225","","","","","","1.0465","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127210","7.2794","0.0004","9.3608","0.0004","10.4528","0.0005","90","","96.97","0.003","90","","707","0.06","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N5 -","- C7 H5 N5 -","- C28 H20 N20 -","4","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.0611","0.0432","","","0.1227","0.1396","","","","","","1.079","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127211","17.9274","0.0018","12.2202","0.0009","17.9025","0.0019","90","","103.284","0.008","90","","3817.1","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cl2 N6 O6 Re2 -","- C36 H38 Cl2 N6 O6 Re2 -","- C144 H152 Cl8 N24 O24 Re8 -","4","0.5","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.1927","0.0675","","","0.1271","0.1503","","","","","","0.948","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127212","12.9074","0.0003","12.0184","0.0003","14.9765","0.0004","90","","113.981","0.001","90","","2122.71","0.09","135.02","","135.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl Fe N3 O3 Re -","- C22 H17 Cl Fe N3 O3 Re -","- C88 H68 Cl4 Fe4 N12 O12 Re4 -","4","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.0329","0.0197","","","0.0374","0.0415","","","","","","0.9942","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127213","9.0781","0.0007","10.9568","0.001","22.08","0.002","90","","92.87","0.002","90","","2193.5","0.3","135","","135","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N3 O3 Re -","- C18 H13 Cl N3 O3 Re -","- C72 H52 Cl4 N12 O12 Re4 -","4","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.063","0.0395","","","0.0731","0.0785","","","","","","0.9574","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127214","10.5308","0.001","18.5025","0.0016","8.737","0.0007","90","","90","","90","","1702.4","0.3","293.9","0.5","293.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O4 -","- C21 H19.432 O4 -","- C84 H77.728 O16 -","4","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.084","0.0706","","","0.1977","0.224","","","","","","1.041","","","","has coordinates,has disorder","260724","2021-01-07","05:01:31",""
"7127215","15.6331","0.0007","8.0735","0.0003","12.5699","0.0004","90","","92.556","0.003","90","","1584.92","0.11","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.0845","0.0698","","","0.1807","0.204","","","","","","1.03","","","","has coordinates","260724","2021-01-07","05:01:31",""
"7127216","4.857","0.0004","13.6775","0.0014","14.0943","0.0012","114.792","0.009","97.894","0.007","91.103","0.007","838.88","0.15","291.3","0.6","291.3","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C44 H32 O8 -","2","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.0846","0.0745","","","0.2093","0.2242","","","","","","1.067","","","","has coordinates","260724","2021-01-07","05:01:31",""
"7127217","11.2786","0.0003","10.8706","0.0004","15.3317","0.0004","90","","97.475","0.003","90","","1863.77","0.1","295.9","0.2","295.9","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.0603","0.0542","","","0.1376","0.1443","","","","","","1.076","","","","has coordinates","260724","2021-01-07","05:01:31",""
"7127218","11.1833","0.0009","11.1833","0.0009","3.6304","0.0004","90","","90","","120","","393.21","0.06","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C6 Cl Cu3 K4 N6 O6 -","- C6 Cl Cu3 K4.02 N6 O6 -","- C6 Cl Cu3 K4.02 N6 O6 -","1","0.0833333","","Kang, Kaijin; Liang, Fei; Meng, Xianghe; Tang, Jian; Zeng, Tixian; Xia, Mingjun; Lin, Zheshuai; Yin, Wenlong; Bin, Kang","K<sub>4</sub>Cu<sub>3</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds.","Chemical communications (Cambridge, England)","2020","56","83","12534","12537","10.1039/d0cc04547k","","","0.71073","MoKα","","0.0391","0.0335","","","0.0893","0.0934","","","","","","1.091","","","","has coordinates","260615","2021-01-07","04:34:45",""
"7127219","11.2089","0.0008","11.2089","0.0008","3.7195","0.0004","90","","90","","120","","404.71","0.06","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C6 Br Cu3 K4 N6 O6 -","- C6 Br Cu3 K4.02 N6 O6 -","- C6 Br Cu3 K4.02 N6 O6 -","1","0.0833333","","Kang, Kaijin; Liang, Fei; Meng, Xianghe; Tang, Jian; Zeng, Tixian; Xia, Mingjun; Lin, Zheshuai; Yin, Wenlong; Bin, Kang","K<sub>4</sub>Cu<sub>3</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds.","Chemical communications (Cambridge, England)","2020","56","83","12534","12537","10.1039/d0cc04547k","","","0.71073","MoKα","","0.0653","0.0563","","","0.1641","0.1733","","","","","","1.119","","","","has coordinates","260615","2021-01-07","04:34:45",""
"7127220","11.7115","0.0005","12.6744","0.0004","12.5355","0.0007","90","","103.528","0.005","90","","1809.1","0.14","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 F3 N O2 Sn -","- C16 H22 F3 N O2 Sn -","- C64 H88 F12 N4 O8 Sn4 -","4","2","","Delany, Pascal K.; Mortimer, Claire L.; Hodgson, David M.","Electrophile dependent mechanisms in the asymmetric trapping of α-lithio-<i>N</i>-(<i>tert</i>-butoxythiocarbonyl)azetidine.","Chemical communications (Cambridge, England)","2020","56","81","12174","12177","10.1039/d0cc05396a","","","0.71073","MoKα","","0.0949","0.059","","0.1349","0.1071","0.1349","","","","","","1.0078","","","","has coordinates","260624","2021-01-07","04:36:40",""
"7127221","8.5708","0.0002","17.0112","0.0004","12.3358","0.0003","90","","106.285","0.0006","90","","1726.4","0.07","103","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Semenova, Evgeniya; Lahtigui, Ouidad; Scott, Sarah K.; Albritton, Matthew; Abboud, Khalil A.; Ghiviriga, Ion; Roitberg, Adrian E.; Grenning, Alexander J.","Selective ring-rearrangement or ring-closing metathesis of bicyclo[3.2.1]octenes.","Chemical communications (Cambridge, England)","2020","56","79","11779","11782","10.1039/d0cc04624h","","","0.71073","MoKα","","0.0603","0.0402","","","0.1078","0.1148","","","","","","0.999","","","","has coordinates","260639","2021-01-07","04:40:20",""
"7127222","10.9242","0.0019","7.1718","0.0013","12.651","0.002","90","","105.167","0.003","90","","956.6","0.3","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C38 H50 N2 O12 -","2","1","","Pei, Jun-Ping; Lv, Xue-Jiao; Peng, Chen-Jun; Liu, Yan-Kai","Asymmetric organocatalytic multicomponent reactions for efficient construction of bicyclic compounds bearing bisacetal and isoxazolidine moieties.","Chemical communications (Cambridge, England)","2020","56","84","12765","12768","10.1039/d0cc05099g","","","0.71073","MoKα","","0.056","0.0406","","","0.0821","0.0893","","","","","","1.034","","","","has coordinates","260699","2021-01-07","04:55:58",""
"7127223","6.921","0.006","10.91","0.03","24.068","0.019","90","","90","","90","","1817","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Zhao, Can; Khan, Ijaz; Zhang, Yong Jian","Enantioselective total synthesis of furofuran lignans <i>via</i> Pd-catalyzed asymmetric allylic cycloadditon of vinylethylene carbonates with 2-nitroacrylates.","Chemical communications (Cambridge, England)","2020","56","82","12431","12434","10.1039/d0cc05640e","","","1.54178","CuKα","","0.0452","0.0378","","","0.1043","0.1131","","","","","","1.02","","","","has coordinates","260721","2021-01-07","05:01:04",""
"7127224","6.6885","0.0003","7.1093","0.0003","24.188","0.0009","90","","90","","90","","1150.15","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","","Zhao, Can; Khan, Ijaz; Zhang, Yong Jian","Enantioselective total synthesis of furofuran lignans <i>via</i> Pd-catalyzed asymmetric allylic cycloadditon of vinylethylene carbonates with 2-nitroacrylates.","Chemical communications (Cambridge, England)","2020","56","82","12431","12434","10.1039/d0cc05640e","","","1.54178","CuKα","","0.0687","0.0329","","","0.0805","0.0898","","","","","","1.038","","","","has coordinates","260721","2021-01-07","05:01:04",""
"7127225","8.1947","0.0004","22.1997","0.0008","12.9203","0.0005","90","","102.07","0.004","90","","2298.5","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O8 -","- C25 H22 N2 O8 -","- C100 H88 N8 O32 -","4","1","","Wang, Kai; Jiang, Chenghao; Zhang, Zhenming; Han, Chunyu; Wang, Xuewei; Li, Yaping; Chen, Kaiting; Zhao, Junfeng","Cut and sew: benzofuran-ring-opening enabled cyclopentenone ring formation.","Chemical communications (Cambridge, England)","2020","56","84","12817","12820","10.1039/d0cc05271j","","x-ray","0.71073","MoKα","","0.0675","0.0531","","","0.1504","0.1608","","","","","","1.019","","","","has coordinates","260691","2021-01-07","04:53:58",""
"7127226","24.552","0.005","24.552","0.005","17.693","0.004","90","","90","","90","","10665","4","120","2","120","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C336 H304 Br82.4 Co8 N48 O34 -","- C336 H304 Br82.4 Co8 N48 O34 -","- C336 H304 Br82.4 Co8 N48 O34 -","1","0.0625","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Ruiz-García, Rafael; Cano, Joan","Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand.","Chemical communications (Cambridge, England)","2020","56","81","12242","12245","10.1039/d0cc03357j","","","0.71073","MoKα","","0.049","0.0468","","","0.1273","0.129","","","","","","1.098","","","","has coordinates,has disorder","260626","2021-01-07","04:37:03",""
"7127227","19.3426","0.0001","19.3426","0.0001","43.5392","0.0005","90","","90","","90","","16289.6","0.2","150.01","0.1","150","0.1","","","","","","","","6","P 43","P 4cw","78","","","","- C42 H38 Cl2 Co N6 O12 -","- C42 H38 Cl2 Co N6 O12 -","- C672 H608 Cl32 Co16 N96 O192 -","16","4","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Ruiz-García, Rafael; Cano, Joan","Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand.","Chemical communications (Cambridge, England)","2020","56","81","12242","12245","10.1039/d0cc03357j","","","0.71073","MoKα","","0.0654","0.0505","","","0.1135","0.1236","","","","","","0.978","","","","has coordinates","260626","2021-01-07","04:37:04",""
"7127228","10.329","0.003","19.409","0.005","10.902","0.003","90","","98.698","0.005","90","","2160.4","1","293","","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 O2 -","- C27 H19 N3 O2 -","- C108 H76 N12 O8 -","4","1","","Singh, Sangh Priya; Tripathi, Shashank; Yadav, Anamika; Kant, Ruchir; Srivastava, Hemant Kumar; Srivastava, Ajay Kumar","Synthesis of β- and γ-lactam fused dihydropyrazinones from Ugi adducts <i>via</i> a sequential ring construction strategy.","Chemical communications (Cambridge, England)","2020","56","84","12789","12792","10.1039/d0cc04415f","","","0.71075","MoKα","","0.0912","0.0599","","","0.1369","0.1463","","","","","","0.866","","","","has coordinates","260694","2021-01-07","04:55:03",""
"7127229","9.0888","0.0009","10.564","0.0011","21.463","0.0019","90","","90","","90","","2060.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-4-benzyl-7-benzylidene-6-(4-fluorophenyl)-1,4-diazabicyclo[4.2.0]oct-2-ene-5,8-dione","","- C26 H19 F N2 O2 -","- C26 H19 F N2 O2 -","- C104 H76 F4 N8 O8 -","4","1","","Singh, Sangh Priya; Tripathi, Shashank; Yadav, Anamika; Kant, Ruchir; Srivastava, Hemant Kumar; Srivastava, Ajay Kumar","Synthesis of β- and γ-lactam fused dihydropyrazinones from Ugi adducts <i>via</i> a sequential ring construction strategy.","Chemical communications (Cambridge, England)","2020","56","84","12789","12792","10.1039/d0cc04415f","","","0.71073","MoKα","","0.0459","0.041","","","0.1305","0.1365","","","","","","1.149","","","","has coordinates","260694","2021-01-07","04:55:06",""
"7127230","22.7366","0.001","17.3024","0.0011","22.0606","0.001","90","","90.923","0.004","90","","8677.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C66 H35 N6 O0.5 Tb0.5 -","- C66 H35 N6 O0.5 Tb0.5 -","- C528 H280 N48 O4 Tb4 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.1268","0.1252","","","0.2828","0.2837","","","","","","1.173","","","","has coordinates","260693","2021-01-07","04:54:52",""
"7127231","13.1037","0.0002","15.3447","0.0002","18.9271","0.0004","108.883","0.001","104.223","0.001","91.574","0.001","3466.69","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H62 Cl8 N12 Sb Tb -","- C69 H62 Cl8 N12 Sb Tb -","- C138 H124 Cl16 N24 Sb2 Tb2 -","2","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0336","0.0321","","","0.0875","0.0887","","","","","","1.018","","","","has coordinates","260693","2021-01-07","04:54:53",""
"7127232","24.8514","0.0006","15.5073","0.0002","27.2445","0.0006","90","","118.812","0.003","90","","9199.7","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H36 N6 Tb0.5 -","- C72 H36 N6 Tb0.5 -","- C576 H288 N48 Tb4 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0301","0.0278","","","0.0694","0.0703","","","","","","1.047","","","","has coordinates,has disorder","260693","2021-01-07","04:54:53",""
"7127233","22.811","0.0002","17.4164","0.0002","22.0814","0.0002","90","","90.987","0.001","90","","8771.32","0.15","120","","120","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C67 H37 N6 Tb0.5 -","- C67 H37 N6 Tb0.5 -","- C536 H296 N48 Tb4 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0408","0.0394","","","0.1019","0.1028","","","","","","1.044","","","","has coordinates","260693","2021-01-07","04:54:53",""
"7127234","14.9131","0.0007","23.0259","0.0009","21.9427","0.001","90","","104.777","0.005","90","","7285.6","0.6","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H96 N13 Tb -","- C84 H96 N13 Tb -","- C336 H384 N52 Tb4 -","4","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.1572","0.1001","","","0.1691","0.1875","","","","","","1.185","","","","has coordinates,has disorder","260693","2021-01-07","04:54:53",""
"7127235","15.1885","0.0005","21.4887","0.0006","19.099","0.0006","90","","104.999","0.003","90","","6021.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C64 H30 B0.5 F2 N6 Tb0.5 -","- C64 H30 B0.5 F2 N6 Tb0.5 -","- C256 H120 B2 F8 N24 Tb2 -","4","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0834","0.0649","","","0.1669","0.1749","","","","","","1.066","","","","has coordinates","260693","2021-01-07","04:54:53",""
"7127236","26.9958","0.0006","42.7901","0.0007","23.1133","0.0006","90","","90","","90","","26699.4","1","100","","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C162 H90 F6 N18 P Tb1.5 -","- C162 H90 F6 N18 P Tb1.5 -","- C1296 H720 F48 N144 P8 Tb12 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.1415","0.1035","","","0.252","0.2842","","","","","","1.008","","","","has coordinates,has disorder","260693","2021-01-07","04:54:53",""
"7127237","10.5749","0.0004","11.9556","0.0004","15.5244","0.0006","90","","94.202","0.001","90","","1957.46","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F6 N3 O4 -","- C19 H13 F6 N3 O4 -","- C76 H52 F24 N12 O16 -","4","1","","Su, Hai-Yan; Zhu, Xiao-Lei; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling","Copper-catalyzed chemoselective C-H functionalization of quinoxalin-2(1<i>H</i>)-ones with hexafluoroisopropanol.","Chemical communications (Cambridge, England)","2020","56","84","12805","12808","10.1039/d0cc05623e","","","0.71073","MoKα","","0.0549","0.0427","","","0.1047","0.1158","","","","","","1.056","","","","has coordinates,has disorder","260695","2021-01-07","04:55:13",""
"7127238","7.2684","0.0006","10.407","0.001","12.7741","0.0013","74.227","0.003","81.33","0.003","86.111","0.003","918.89","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C32 H40 B20 -","2","1","","Lee, Sunhee; Shin, Jisu; Ko, Doo-Hyun; Han, Won-Sik","A new type of carborane-based electron-accepting material.","Chemical communications (Cambridge, England)","2020","56","84","12741","12744","10.1039/d0cc04684a","","","0.71073","MoKα","","0.111","0.0597","","","0.1319","0.1559","","","","","","1.035","","","","has coordinates","260687","2021-01-07","04:53:19",""
"7127239","10.7957","0.0011","9.7951","0.0009","13.7818","0.0012","90","","112.281","0.003","90","","1348.5","0.2","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 -","- C9 H15 B10 -","- C36 H60 B40 -","4","1","","Lee, Sunhee; Shin, Jisu; Ko, Doo-Hyun; Han, Won-Sik","A new type of carborane-based electron-accepting material.","Chemical communications (Cambridge, England)","2020","56","84","12741","12744","10.1039/d0cc04684a","","","0.71073","MoKα","","0.1066","0.0625","","","0.1487","0.1749","","","","","","1.025","","","","has coordinates","260687","2021-01-07","04:53:19",""
"7127240","7.7448","0.0013","15.656","0.003","18.122","0.004","90","","90","","90","","2197.3","0.7","235","2","235","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br Cl0 N2 O3 -","- C23 H17 Br N2 O3 -","- C92 H68 Br4 N8 O12 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.0764","0.0465","","","0.1395","0.1792","","","","","","0.738","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127241","9.4091","0.0004","11.5174","0.0004","22.8668","0.0009","90","","91.996","0.001","90","","2476.53","0.17","169","2","169","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Br N2 O4 -","- C27 H25 Br N2 O4 -","- C108 H100 Br4 N8 O16 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.0443","0.0318","","","0.071","0.0838","","","","","","1.099","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127242","13.2371","0.0004","16.5924","0.0005","11.5023","0.0003","90","","106.316","0.001","90","","2424.57","0.12","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br N2 O4 -","- C27 H25 Br N2 O4 -","- C108 H100 Br4 N8 O16 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","1.54178","CuKα","","0.0441","0.0417","","","0.101","0.1031","","","","","","1.063","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127243","21.8518","0.0007","10.5122","0.0003","22.7425","0.0008","90","","108.208","0.002","90","","4962.6","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Br N2 O4 -","- C27 H27 Br N2 O4 -","- C216 H216 Br8 N16 O32 -","8","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.0762","0.0466","","","0.0898","0.1061","","","","","","1.133","","","","has coordinates,has disorder","260688","2021-01-07","04:53:35",""
"7127244","10.957","0.0013","22.742","0.002","11.167","0.0011","90","","110.062","0.004","90","","2613.8","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.1485","0.0585","","","0.1106","0.1423","","","","","","1.015","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127245","12.9369","0.0005","17.1825","0.0006","17.9062","0.0006","90","","102.098","0.0016","90","","3891.9","0.2","200","","200","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H53 N O6 -","- C42.998 H52.994 N O5.999 -","- C171.992 H211.976 N4 O23.996 -","4","1","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","1.54178","CuKα","","0.0771","0.0687","","0.1082","0.1038","0.1082","","","","","","1.4217","","","","has coordinates,has disorder","260696","2021-01-07","04:55:30",""
"7127246","13.1917","0.0004","16.8403","0.0005","18.4369","0.0005","90","","106.313","0.0012","90","","3930.9","0.2","250","","250","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H53 N O6 -","- C43 H53 N O6 -","- C172 H212 N4 O24 -","4","1","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","1.54178","CuKα","","0.0728","0.0658","","0.1711","0.1672","0.1711","","","","","","1.3955","","","","has coordinates,has disorder","260696","2021-01-07","04:55:32",""
"7127247","18.1214","0.0009","12.6174","0.0007","16.0888","0.0009","90","","103.99","0.0018","90","","3569.5","0.3","200","","200","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 O6 -","- C41 H46 O6 -","- C164 H184 O24 -","4","1","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","0.71073","MoKα","","0.0743","0.0607","","0.1651","0.1473","0.1651","","","","","","0.9978","","","","has coordinates,has disorder","260696","2021-01-07","04:55:32",""
"7127248","9.4753","0.0003","19.0877","0.0005","39.5036","0.0011","90","","90","","90","","7144.7","0.4","200","","200","","","","101","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H47 N O5 -","- C41.0015 H47.0035 N O5 -","- C328.012 H376.028 N8 O40 -","8","2","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","1.54178","CuKα","","0.0658","0.0622","","0.1564","0.1529","0.1564","","","","","","0.9219","","","","has coordinates,has disorder","260696","2021-01-07","04:55:32",""
"7127249","24.2592","0.0006","14.9349","0.0006","21.0144","0.0005","90","","90.863","0.002","90","","7612.8","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","carbatriphyrin fused dimer","","- C94 H64 F10 N4 -","- C94 H64 F10 N4 -","- C376 H256 F40 N16 -","4","0.5","","Murugavel, M.; Adinarayana, B.; Das, Mainak; Peruncheralathan, S.; Palepu, Narasinga Rao; Srinivasan, A.","PtCl<sub>2</sub> mediated peripheral transformation of carbatriphyrin(3.1.1) into a <i>meso</i>-fused β-β' dimer and its monomer analogue.","Chemical communications (Cambridge, England)","2020","56","84","12809","12812","10.1039/d0cc05309k","","x-ray","1.54184","CuKα","","0.0998","0.09","","","0.2422","0.2506","","","","","","1.055","","","","has coordinates","260690","2021-01-07","04:53:52",""
"7127250","10.4374","0.0007","13.2672","0.0008","16.3284","0.0012","71.893","0.006","73.259","0.007","69.076","0.006","1967.1","0.3","113","20","113","20","","","","","","","","5","P -1","-P 1","2","","carbatriphyrin[3.1.1] fused monomer","","- C3.36 H2.21 F0.36 N0.14 O0.07 -","- C3.35714 H2.21429 F0.357143 N0.142857 O0.0714286 -","- C94 H62 F10 N4 O2 -","28","14","","Murugavel, M.; Adinarayana, B.; Das, Mainak; Peruncheralathan, S.; Palepu, Narasinga Rao; Srinivasan, A.","PtCl<sub>2</sub> mediated peripheral transformation of carbatriphyrin(3.1.1) into a <i>meso</i>-fused β-β' dimer and its monomer analogue.","Chemical communications (Cambridge, England)","2020","56","84","12809","12812","10.1039/d0cc05309k","","x-ray","1.54184","CuKα","","0.1577","0.0997","","","0.2694","0.3064","","","","","","1.018","","","","has coordinates","260690","2021-01-07","04:53:52",""
"7127251","26.225","0.005","5.008","0.001","10.261","0.002","90","","93.42","0.03","90","","1345.2","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1126","0.1026","","","0.2677","0.279","","","","","","1.157","","","","has coordinates","260692","2021-01-07","04:54:10",""
"7127252","26.224","0.005","5.008","0.001","10.26","0.002","90","","93.41","0.03","90","","1345.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1166","0.1089","","","0.2819","0.29","","","","","","1.134","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127253","26.225","0.005","5.007","0.001","10.259","0.002","90","","93.37","0.03","90","","1344.8","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1258","0.1147","","","0.3037","0.3162","","","","","","1.161","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127254","26.232","0.005","5.008","0.001","10.264","0.002","90","","93.43","0.03","90","","1346","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1238","0.1172","","","0.3095","0.3177","","","","","","1.066","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127255","26.2128","0.0008","5.0027","0.0001","10.2514","0.0003","90","","93.435","0.002","90","","1341.9","0.06","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.71073","MoKα","","0.0807","0.0543","","","0.1154","0.1273","","","","","","1.045","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127256","26.233","0.005","5.007","0.001","10.266","0.002","90","","93.36","0.03","90","","1346.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1161","0.1087","","","0.2847","0.2941","","","","","","1.096","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127257","26.219","0.005","5.009","0.001","10.26","0.002","90","","93.4","0.03","90","","1345.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1346","0.1265","","","0.3334","0.3447","","","","","","1.108","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127258","26.23","0.005","5.008","0.001","10.263","0.002","90","","93.46","0.03","90","","1345.7","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1082","0.1017","","","0.2625","0.2696","","","","","","1.097","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127259","26.226","0.005","5.007","0.001","10.264","0.002","90","","93.46","0.03","90","","1345.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1141","0.1063","","","0.2828","0.2908","","","","","","1.163","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127260","26.229","0.005","5.008","0.001","10.259","0.002","90","","93.39","0.03","90","","1345.2","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1077","0.0995","","","0.2587","0.267","","","","","","1.135","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127261","26.223","0.005","5.007","0.001","10.266","0.002","90","","93.45","0.03","90","","1345.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1288","0.1187","","","0.3137","0.3253","","","","","","1.129","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127262","26.23","0.005","5.008","0.001","10.263","0.002","90","","93.49","0.03","90","","1345.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1081","0.1011","","","0.2576","0.2646","","","","","","1.106","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127263","26.231","0.005","5.008","0.001","10.259","0.002","90","","93.42","0.03","90","","1345.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1092","0.101","","","0.263","0.2705","","","","","","1.129","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127264","26.231","0.005","5.008","0.001","10.262","0.002","90","","93.44","0.03","90","","1345.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1072","0.1006","","","0.2567","0.2627","","","","","","1.104","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127265","22.1643","0.0014","16.4288","0.001","23.8287","0.0015","90","","93.08","0.002","90","","8664.3","0.9","99.98","","99.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H106 N4 O77 Zn14 -","- C104 H106 N4 O77 Zn14 -","- C208 H212 N8 O154 Zn28 -","2","0.5","","Li, Chuan-Ping; Long, Wei-Wei; Lei, Zhen; Guo, Ling; Xie, Ming-Jun; Lü, Jian; Zhu, Xian-Dong","Anionic metal-organic framework as a unique turn-on fluorescent chemical sensor for ultra-sensitive detection of antibiotics.","Chemical communications (Cambridge, England)","2020","56","82","12403","12406","10.1039/d0cc05175f","","","1.54178","CuKα","","0.0763","0.0754","","","0.1993","0.1998","","","","","","1.07","","","","has coordinates,has disorder","260726","2021-01-07","05:01:58",""
"7127266","15.5992","0.0007","11.4432","0.0005","23.1873","0.0009","90","","94.693","0.002","90","","4125.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 N4 Si4 Yb -","- C34 H64 N4 Si4 Yb -","- C136 H256 N16 Si16 Yb4 -","4","1","","Lapshin, Ivan V.; Cherkasov, Anton V.; Asachenko, Andrey F.; Trifonov, Alexander A.","Ln(II) amido complexes coordinated by ring-expanded N-heterocyclic carbenes - promising catalysts for olefin hydrophosphination.","Chemical communications (Cambridge, England)","2020","56","85","12913","12916","10.1039/d0cc05424k","","","0.71073","MoKα","","0.0336","0.0276","","","0.065","0.0678","","","","","","1.017","","","","has coordinates,has disorder","260675","2021-01-07","04:49:49",""
"7127267","15.5699","0.0003","11.47","0.0002","23.5397","0.0005","90","","94.58","0.002","90","","4190.45","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 N4 Si4 Sm -","- C34 H64 N4 Si4 Sm -","- C136 H256 N16 Si16 Sm4 -","4","1","","Lapshin, Ivan V.; Cherkasov, Anton V.; Asachenko, Andrey F.; Trifonov, Alexander A.","Ln(II) amido complexes coordinated by ring-expanded N-heterocyclic carbenes - promising catalysts for olefin hydrophosphination.","Chemical communications (Cambridge, England)","2020","56","85","12913","12916","10.1039/d0cc05424k","","","0.71073","MoKα","","0.0634","0.0429","","","0.0828","0.0891","","","","","","1.073","","","","has coordinates","260675","2021-01-07","04:49:49",""
"7127268","26.9151","0.0004","13.9396","0.0002","7.31714","0.00013","90","","90","","90","","2745.29","0.07","293.01","0.11","293.01","0.11","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H28 F2 N2 O4 -","- C33 H28 F2 N2 O4 -","- C132 H112 F8 N8 O16 -","4","1","","Shi, Wei-Yu; Ding, Ya-Nan; Liu, Ce; Zheng, Nian; Gou, Xue-Ya; Li, Ming; Zhang, Zhe; Liu, Hong-Chao; Niu, Zhi-Jie; Liang, Yong-Min","Three-component ruthenium-catalyzed remote C-H functionalization of 8-aminoquinoline amides.","Chemical communications (Cambridge, England)","2020","56","84","12729","12732","10.1039/d0cc05491g","","x-ray","1.54184","CuKα","","0.0365","0.0337","","","0.0839","0.0864","","","","","","1.066","","","","has coordinates","260700","2021-01-07","04:56:04",""
"7127269","9.6672","0.0006","9.6302","0.0005","9.0564","0.0006","90","","101.776","0.002","90","","825.38","0.09","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 N12 O16 -","- C6 N12 O16 -","- C12 N24 O32 -","2","0.5","","Mohammad, Khaja; Thaltiri, Vikranth; Kommu, Nagarjuna; Vargeese, Anuj A.","Octanitropyrazolopyrazole: a gem-trinitromethyl based green high-density energetic oxidizer.","Chemical communications (Cambridge, England)","2020","56","85","12945","12948","10.1039/d0cc05704e","","","0.71073","MoKα","","0.0452","0.0381","","","0.1009","0.1077","","","","","","1.045","","","","has coordinates","260671","2021-01-07","04:49:14",""
"7127270","8.8744","0.0006","11.4021","0.0007","60.208","0.004","90","","90","","90","","6092.3","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C336 H256 O48 -","16","2","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.16","0.1092","","","0.2772","0.3326","","","","","","1.069","","","","has coordinates","260701","2021-01-07","04:56:19",""
"7127271","13.017","0.0006","10.8103","0.0005","13.8173","0.0006","90","","110.376","0.002","90","","1822.68","0.14","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C96 H80 O12 -","4","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.1887","0.1038","","","0.2601","0.3372","","","","","","0.881","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127272","8.6683","0.0012","8.386","0.001","11.3586","0.0014","90","","110.379","0.008","90","","774","0.18","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.0586","0.0386","","","0.0976","0.1248","","","","","","1.174","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127273","9.6092","0.0003","8.1201","0.0003","10.9799","0.0004","90","","116.426","0.0018","90","","767.22","0.05","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.0333","0.0317","","","0.08","0.0822","","","","","","1.076","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127274","15.8736","0.0005","9.6592","0.0003","10.7426","0.0003","90","","93.45","0.002","90","","1644.14","0.09","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.1118","0.0773","","","0.2382","0.3302","","","","","","1.268","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127275","20.155","0.0015","4.7512","0.0004","26.999","0.002","90","","90","","90","","2585.4","0.3","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- C9.75 H7.75 -","- C9 H6 -","- C144 H96 -","16","1","","Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G","Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.","Chemical communications (Cambridge, England)","2020","56","84","12813","12816","10.1039/d0cc04489j","","","0.71073","MoKα","","0.0437","0.0392","","","0.1015","0.1044","","","","","","1.089","","","","has coordinates","260689","2021-01-07","04:53:44",""
"7127276","10.9191","0.0006","14.2474","0.0008","15.1184","0.0009","87.56","0.002","70.753","0.002","71.905","0.002","2106","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H40 Cl2 O2 -","- C59 H40 Cl2 O2 -","- C118 H80 Cl4 O4 -","2","1","","Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G","Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.","Chemical communications (Cambridge, England)","2020","56","84","12813","12816","10.1039/d0cc04489j","","","0.71073","MoKα","","0.0849","0.0669","","","0.1845","0.1951","","","","","","1.103","","","","has coordinates","260689","2021-01-07","04:53:44",""
"7127277","11.8642","0.0015","13.1675","0.0015","17.343","0.002","68.772","0.006","78.937","0.008","63.277","0.005","2254.4","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Cl2 O4 P4 Pd2 -","- C48 H42 Cl2 O4 P4 Pd2 -","- C96 H84 Cl4 O8 P8 Pd4 -","2","1","","Oka, Sayaka; Shigehiro, Yuma; Kataoka, Yasutaka; Ura, Yasuyuki","Secondary phosphine oxide-triggered selective oxygenation of a benzyl ligand on palladium.","Chemical communications (Cambridge, England)","2020","56","85","12977","12980","10.1039/d0cc05572g","","","0.71075","MoKα","","0.0569","0.0398","","","0.0762","0.0861","","","","","","1.08","","","","has coordinates","260670","2021-01-07","04:49:00",""
"7127278","10.05","0.004","13.715","0.005","23.78","0.008","78.415","0.007","81.104","0.007","86.079","0.007","3170","2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl2 O2.67 P2 Pd2 -","- C42 H44 Cl2 O2.66667 P2 Pd2 -","- C126 H132 Cl6 O8 P6 Pd6 -","3","1.5","","Oka, Sayaka; Shigehiro, Yuma; Kataoka, Yasutaka; Ura, Yasuyuki","Secondary phosphine oxide-triggered selective oxygenation of a benzyl ligand on palladium.","Chemical communications (Cambridge, England)","2020","56","85","12977","12980","10.1039/d0cc05572g","","","0.71075","MoKα","","0.0894","0.0591","","","0.1521","0.1888","","","","","","1.094","","","","has coordinates,has disorder","260670","2021-01-07","04:49:00",""
"7127279","8.8444","0.0008","14.0029","0.0013","13.7453","0.0013","90","","99.99","0.002","90","","1676.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl2 Mn N7 O9 -","- C28 H37 Cl2 Mn N7 O9 -","- C56 H74 Cl4 Mn2 N14 O18 -","2","1","","Xu, Daqian; Sun, Qiangsheng; Lin, Jin; Sun, Wei","Ligand regulation for manganese-catalyzed enantioselective epoxidation of olefins without acid.","Chemical communications (Cambridge, England)","2020","56","86","13101","13104","10.1039/d0cc04440g","","","0.71073","MoKα","","0.0416","0.0368","","","0.1015","0.1068","","","","","","1.01","","","","has coordinates,has disorder","260606","2021-01-07","04:31:19",""
"7127280","15.3787","0.0005","16.0584","0.0006","16.3664","0.0006","85.569","0.002","82.256","0.002","71.671","0.002","3799.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","IP480F2F3","IP480F2F3","","- C103 H63 Cl9 O2 -","- C103 H63 Cl9 O2 -","- C206 H126 Cl18 O4 -","2","1","","Pozo, Iago; Peña, Diego; Guitián, Enrique; Pérez, Dolores","2,6,10-Triphenylenotriyne: a star-shaped trisaryne.","Chemical communications (Cambridge, England)","2020","56","84","12853","12856","10.1039/d0cc05686c","","","1.54178","CuKα","","0.1291","0.0874","","","0.242","0.2814","","","","","","1.034","","","","has coordinates,has disorder","260697","2021-01-07","04:55:42",""
"7127281","20.2845","0.0009","11.9988","0.0006","8.454","0.0004","90","","90","","90","","2057.62","0.17","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C15 H22 B10 S2 -","- C15 H22 B10 S2 -","- C60 H88 B40 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0517","0.0425","","","0.1185","0.1287","","","","","","1.158","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127282","19.7267","0.001","12.6094","0.0007","8.409","0.0004","90","","90","","90","","2091.67","0.19","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H20 B10 F2 S2 -","- C15 H20 B10 F2 S2 -","- C60 H80 B40 F8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0566","0.0404","","","0.1029","0.1145","","","","","","1.062","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127283","8.4713","0.0004","13.2354","0.0007","12.3156","0.0006","90","","90","","90","","1380.84","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H18 B10 S2 -","- C5 H18 B10 S2 -","- C20 H72 B40 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0425","0.0378","","","0.1125","0.1179","","","","","","1.098","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127284","21.136","0.005","12.146","0.002","8.5666","0.0015","90","","90","","90","","2199.2","0.7","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H20 B10 Cl2 S2 -","- C15 H20 B10 Cl2 S2 -","- C60 H80 B40 Cl8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0389","0.0358","","","0.0908","0.0939","","","","","","1.088","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127285","25.878","0.0011","11.6738","0.0005","20.3229","0.0009","90","","128.273","0.0011","90","","4819.9","0.4","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 B10 S2 -","- C20 H24 B10 S2 -","- C160 H192 B80 S16 -","8","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0607","0.0476","","","0.1311","0.1446","","","","","","1.06","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127286","19.6577","0.0009","12.2928","0.0009","8.5569","0.0004","90","","90","","90","","2067.8","0.2","297","2","297","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C15 H22 B10 Se2 -","- C15 H22 B10 Se2 -","- C60 H88 B40 Se8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0308","0.0283","","","0.0706","0.0723","","","","","","1.055","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127287","17.4444","0.0008","11.2142","0.0005","23.4319","0.0011","90","","90","","90","","4583.9","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B10 Br2 S2 -","- C15 H20 B10 Br2 S2 -","- C120 H160 B80 Br16 S16 -","8","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0535","0.0423","","","0.1039","0.1137","","","","","","1.052","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127288","19.5554","0.0009","12.2522","0.0009","8.6766","0.0005","90","","90","","90","","2078.9","0.2","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H22 B10 O2 S2 -","- C15 H22 B10 O2 S2 -","- C60 H88 B40 O8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0528","0.0459","","","0.1112","0.1158","","","","","","1.12","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127289","16.5682","0.0004","15.2566","0.0004","28.2917","0.0007","90","","90.006","0.001","90","","7151.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H39 B2 F40 Sb -","- C79 H39 B2 F40 Sb -","- C316 H156 B8 F160 Sb4 -","4","1","","Zhou, Jiliang; Kim, Hyehwang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An arene-stabilized η<sup>5</sup>-pentamethylcyclopentadienyl antimony dication acts as a source of Sb<sup>+</sup> or Sb<sup>3+</sup> cations.","Chemical communications (Cambridge, England)","2020","56","85","12953","12956","10.1039/d0cc02710c","","","0.71073","MoKα","","0.098","0.0484","","","0.0992","0.1197","","","","","","1.022","","","","has coordinates","260674","2021-01-07","04:49:40",""
"7127290","9.101","0.0004","13.275","0.0006","13.8328","0.0006","81.615","0.002","86.39","0.002","84.352","0.002","1643.32","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 F9 N4 O9.5 S3 Sb -","- C25 H21 F9 N4 O9.5 S3 Sb -","- C50 H42 F18 N8 O19 S6 Sb2 -","2","1","","Zhou, Jiliang; Kim, Hyehwang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An arene-stabilized η<sup>5</sup>-pentamethylcyclopentadienyl antimony dication acts as a source of Sb<sup>+</sup> or Sb<sup>3+</sup> cations.","Chemical communications (Cambridge, England)","2020","56","85","12953","12956","10.1039/d0cc02710c","","","0.71073","MoKα","","0.0364","0.0325","","","0.09","0.0929","","","","","","1.029","","","","has coordinates,has disorder","260674","2021-01-07","04:49:40",""
"7127291","19.218","0.003","8.3161","0.0012","20.922","0.003","90","","111.897","0.004","90","","3102.5","0.8","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C61 H64 B F20 N4 Sb -","- C61 H64 B F20 N4 Sb -","- C122 H128 B2 F40 N8 Sb2 -","2","0.5","","Zhou, Jiliang; Kim, Hyehwang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An arene-stabilized η<sup>5</sup>-pentamethylcyclopentadienyl antimony dication acts as a source of Sb<sup>+</sup> or Sb<sup>3+</sup> cations.","Chemical communications (Cambridge, England)","2020","56","85","12953","12956","10.1039/d0cc02710c","","","0.71073","MoKα","","0.0504","0.0385","","","0.0944","0.1001","","","","","","1.086","","","","has coordinates,has disorder","260674","2021-01-07","04:49:40",""
"7127292","6.0451","0.0005","8.3029","0.0004","9.2867","0.0005","107.436","0.005","107.421","0.007","90.517","0.006","421.8","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C20 H21 N O2 S -","1","1","","Tao, Mengna; Li, Wenbo; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.","Chemical communications (Cambridge, England)","2020","56","86","13125","13128","10.1039/d0cc04996d","","x-ray","1.54184","CuKα","","0.0674","0.0645","","","0.1717","0.1754","","","","","","1.073","","","","has coordinates","260598","2021-01-07","04:30:18",""
"7127293","6.0733","0.0002","11.523","0.0003","17.1932","0.0004","90","","90","","90","","1203.23","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tao, Mengna; Li, Wenbo; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.","Chemical communications (Cambridge, England)","2020","56","86","13125","13128","10.1039/d0cc04996d","","x-ray","1.54184","CuKα","","0.0346","0.0335","","","0.0855","0.0863","","","","","","1.059","","","","has coordinates","260598","2021-01-07","04:30:18",""
"7127294","10.011","0.004","13.646","0.005","16.369","0.006","66.564","0.005","72.663","0.005","78.969","0.005","1951.7","1.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C35 H35 F6 N5 O11 Ru S2 -","- C35 H35 F6 N5 O11 Ru S2 -","- C70 H70 F12 N10 O22 Ru2 S4 -","2","2","","Hirahara, Masanari; Goto, Hiroki; Yagi, Masayuki; Umemura, Yasushi","A multi-stimuli responsive ruthenium complex for catalytic water oxidation.","Chemical communications (Cambridge, England)","2020","56","84","12825","12828","10.1039/d0cc04940a","","","0.71073","MoKα","","0.1096","0.0647","","","0.0868","0.1027","","","","","","1.0033","","","","has coordinates,has disorder","260686","2021-01-07","04:53:10",""
"7127295","11.5955","0.0002","13.3944","0.0002","13.4286","0.0002","94.6542","0.0009","108.322","0.0008","99.0418","0.0009","1936.28","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 F6 N5 O11 Ru S2 -","- C35 H35 F6 N5 O11 Ru S2 -","- C70 H70 F12 N10 O22 Ru2 S4 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yagi, Masayuki; Umemura, Yasushi","A multi-stimuli responsive ruthenium complex for catalytic water oxidation.","Chemical communications (Cambridge, England)","2020","56","84","12825","12828","10.1039/d0cc04940a","","","0.71073","MoKα","","0.0651","0.0391","","","0.0729","0.084","","","","","","1.0508","","","","has coordinates,has disorder","260686","2021-01-07","04:53:11",""
"7127296","13.556","0.003","13.655","0.003","16.754","0.003","71.32","0.002","88.136","0.002","61.543","0.002","2556","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 N7 O3 P2 Re -","- C58 H48 N7 O3 P2 Re -","- C116 H96 N14 O6 P4 Re2 -","2","1","","Sasaki, Kenta; Yamate, Hitomi; Yoshino, Haruka; Miura, Hiroki; Shimoda, Yuushi; Miyata, Kiyoshi; Onda, Ken; Ohtani, Ryo; Ohba, Masaaki","Vapor switching of the luminescence mechanism in a Re(V) complex.","Chemical communications (Cambridge, England)","2020","56","85","12961","12964","10.1039/d0cc05462c","","","0.71073","MoKα","","0.0293","0.0244","","","0.0518","0.0536","","","","","","1.043","","","","has coordinates,has disorder","260667","2021-01-07","04:48:31",""
"7127297","13.437","0.002","13.848","0.002","16.639","0.003","71.036","0.002","89.469","0.002","61.39","0.002","2530.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 N5 O5 P2 Re -","- C55 H43 N5 O5 P2 Re -","- C110 H86 N10 O10 P4 Re2 -","2","1","","Sasaki, Kenta; Yamate, Hitomi; Yoshino, Haruka; Miura, Hiroki; Shimoda, Yuushi; Miyata, Kiyoshi; Onda, Ken; Ohtani, Ryo; Ohba, Masaaki","Vapor switching of the luminescence mechanism in a Re(V) complex.","Chemical communications (Cambridge, England)","2020","56","85","12961","12964","10.1039/d0cc05462c","","","0.71073","MoKα","","0.0499","0.0386","","","0.0856","0.0916","","","","","","1.11","","","","has coordinates,has disorder","260667","2021-01-07","04:48:32",""
"7127298","13.6167","0.001","14.0119","0.001","15.9593","0.0011","109.223","0.001","90.428","0.001","106.99","0.001","2731.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 N7 O2 P2 Re -","- C62 H56 N7 O2 P2 Re -","- C124 H112 N14 O4 P4 Re2 -","2","1","","Sasaki, Kenta; Yamate, Hitomi; Yoshino, Haruka; Miura, Hiroki; Shimoda, Yuushi; Miyata, Kiyoshi; Onda, Ken; Ohtani, Ryo; Ohba, Masaaki","Vapor switching of the luminescence mechanism in a Re(V) complex.","Chemical communications (Cambridge, England)","2020","56","85","12961","12964","10.1039/d0cc05462c","","","0.71073","MoKα","","0.028","0.0247","","","0.0595","0.061","","","","","","1.051","","","","has coordinates","260667","2021-01-07","04:48:32",""
"7127299","11.0034","0.0001","12.6502","0.0001","23.9841","0.0002","90","","98.435","0.001","90","","3302.36","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C152 H104 N24 O16 Pt8 -","8","2","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0269","0.0258","","","0.0682","0.0689","","","","","","1.073","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127300","30.2541","0.0005","30.2541","0.0005","10.0134","0.0002","90","","90","","120","","7937.4","0.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0262","0.0239","","","0.0625","0.0634","","","","","","1.079","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127301","30.4714","0.0003","30.4714","0.0003","10.0419","0.0001","90","","90","","120","","8074.79","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H14.33 N3 O2.67 Pt -","- C19 H13 N3 O2.6666 Pt -","- C342 H234 N54 O47.9988 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0216","0.0212","","","0.0579","0.0582","","","","","","1.142","","","","has coordinates,has disorder","260677","2021-01-07","04:50:51",""
"7127302","30.402","0.002","30.402","0.002","10.0404","0.0008","90","","90","","120","","8036.9","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C342 H234 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0959","0.0719","","","0.1495","0.1599","","","","","","1.086","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127303","30.2896","0.0003","30.2896","0.0003","10.057","0.0001","90","","90","","120","","7990.72","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","","1.54184","CuKα","","0.027","0.0259","","","0.0735","0.0742","","","","","","1.092","","","","has coordinates,has disorder","260677","2021-01-07","04:50:51",""
"7127304","9.4001","0.0014","10.1799","0.0014","19.692","0.003","96.945","0.008","98.651","0.007","92.505","0.007","1845.6","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl0.33 Co N2.33 P3 -","- C39 H52 Cl0.334 Co N2.332 P3 -","- C78 H104 Cl0.668 Co2 N4.664 P6 -","2","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0545","0.0368","","","0.08","0.086","","","","","","1.049","","","","has coordinates,has disorder","260621","2021-01-07","04:36:17",""
"7127305","11.1139","0.0003","17.2203","0.0005","36.7506","0.0011","90","","90","","90","","7033.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H48 Cl Co N P3 -","- C37 H48 Cl Co N P3 -","- C296 H384 Cl8 Co8 N8 P24 -","8","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0508","0.0333","","","0.0692","0.0765","","","","","","1.03","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127306","18.5652","0.0003","15.3844","0.0003","25.5535","0.0006","90","","90","","90","","7298.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H52 Cl Co N P3 -","- C39 H52 Cl Co N P3 -","- C312 H416 Cl8 Co8 N8 P24 -","8","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0388","0.0289","","","0.0676","0.0721","","","","","","1.026","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127307","18.0756","0.0009","12.9004","0.0005","16.8278","0.0007","90","","112.241","0.002","90","","3632","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 Cl2 Co N P3 -","- C37 H48 Cl2 Co N P3 -","- C148 H192 Cl8 Co4 N4 P12 -","4","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0634","0.0366","","","0.072","0.0803","","","","","","1.029","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127308","10.5437","0.0004","16.2502","0.0006","15.7679","0.0006","90","","98.878","0.001","90","","2669.26","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Cl Co P3 -","- C25 H39 Cl Co P3 -","- C100 H156 Cl4 Co4 P12 -","4","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0379","0.0259","","","0.0601","0.0653","","","","","","1.028","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127309","12.5472","0.0015","41.432","0.004","13.4271","0.0014","90","","92.586","0.004","90","","6973","1.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H63 B Co F24 N2 P3 -","- C71 H63 B Co F24.003 N2 P3 -","- C284 H252 B4 Co4 F96.012 N8 P12 -","4","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.066","0.0434","","","0.0928","0.1011","","","","","","1.031","","","","has coordinates,has disorder","260621","2021-01-07","04:36:18",""
"7127310","11.285","0.002","15.184","0.003","21.077","0.004","89.329","0.006","89.127","0.006","75.629","0.005","3498","1.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H98 Co2 N4 P6 -","- C74 H98 Co2 N4 P6 -","- C148 H196 Co4 N8 P12 -","2","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0846","0.0421","","","0.0766","0.0884","","","","","","1.004","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127311","15.4027","0.0008","15.4027","0.0008","32.0302","0.0016","90","","90","","90","","7598.9","0.7","103","2","103","2","","","","","","","","6","P 41","P 4w","76","","","","- C39 H52 Cl2 Co N P3 -","- C39 H52 Cl2 Co N P3 -","- C312 H416 Cl16 Co8 N8 P24 -","8","2","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0358","0.0286","","","0.0573","0.0595","","","","","","1.002","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127312","9.751","0.003","12.142","0.006","17.953","0.007","72.006","0.012","76.941","0.009","71.219","0.019","1895","1.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl Co N P3 -","- C39 H52 Cl Co N P3 -","- C78 H104 Cl2 Co2 N2 P6 -","2","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.027","0.0226","","","0.059","0.0612","","","","","","1.025","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127313","22.085","0.007","9.856","0.003","22.387","0.007","90","","90","","90","","4873","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","triethyl (2,8-dioxo-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-trien-3-yl)methanetricarboxylate","","- C25 H24 O9 -","- C25 H24 O9 -","- C200 H192 O72 -","8","1","","Manna, Sabyasachi; Someswara Ashwathappa, Puneeth Kumar; Prabhu, Kandikere Ramaiah","Visible light-mediated ipso-annulation of activated alkynes: access to 3-alkylated spiro[4,5]-trienones, thiaspiro[4,5]-trienones and azaspiro[4,5]-trienones.","Chemical communications (Cambridge, England)","2020","56","86","13165","13168","10.1039/d0cc01217c","","","0.71073","MoKα","","0.1687","0.1068","","","0.2705","0.2903","","","","","","1.739","","","","has coordinates","260605","2021-01-07","04:31:13",""
"7127314","11.0034","0.0001","12.6502","0.0001","23.9841","0.0002","90","","98.435","0.001","90","","3302.36","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C152 H104 N24 O16 Pt8 -","8","2","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0269","0.0258","","","0.0682","0.0689","","","","","","1.073","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127315","30.2541","0.0005","30.2541","0.0005","10.0134","0.0002","90","","90","","120","","7937.4","0.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0262","0.0239","","","0.0625","0.0634","","","","","","1.079","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127316","30.4714","0.0003","30.4714","0.0003","10.0419","0.0001","90","","90","","120","","8074.79","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H14.33 N3 O2.67 Pt -","- C19 H13 N3 O2.6666 Pt -","- C342 H234 N54 O47.9988 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0216","0.0212","","","0.0579","0.0582","","","","","","1.142","","","","has coordinates,has disorder","260676","2021-01-07","04:50:19",""
"7127317","30.402","0.002","30.402","0.002","10.0404","0.0008","90","","90","","120","","8036.9","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C342 H234 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0959","0.0719","","","0.1495","0.1599","","","","","","1.086","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127318","30.2896","0.0003","30.2896","0.0003","10.057","0.0001","90","","90","","120","","7990.72","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","","1.54184","CuKα","","0.027","0.0259","","","0.0735","0.0742","","","","","","1.092","","","","has coordinates,has disorder","260676","2021-01-07","04:50:19",""
"7127319","10.519","0.0005","14.5588","0.0007","22.7509","0.001","90","","90","","90","","3484.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H34 Cl4 O10 -","- C34 H33.604 Cl4 O10 -","- C136 H134.416 Cl16 O40 -","4","0.5","","Joshi, Saurabh; Yip, Yong Jie; Türel, Tankut; Verma, Sandeep; Valiyaveettil, Suresh","Cu-tetracatechol metallopolymer catalyst for three component click reactions and β-borylation of α,β-unsaturated carbonyl compounds.","Chemical communications (Cambridge, England)","2020","56","85","13044","13047","10.1039/d0cc05823h","","","0.71073","MoKα","","0.0884","0.0816","","","0.259","0.2702","","","","","","1.074","","","","has coordinates,has disorder","260673","2021-01-07","04:49:27",""
"7127320","10.0079","0.0005","11.0103","0.0005","13.8154","0.0007","68.117","0.003","74.662","0.004","67.141","0.003","1288.86","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 F N2 O5 -","- C30 H25 F N2 O5 -","- C60 H50 F2 N4 O10 -","2","1","","Lv, Yunhe; Pu, Weiya; Wang, Xiaoxing","Ligand-free copper-catalyzed regio- and stereoselective 1,1-alkylmonofluoroalkylation of terminal alkynes.","Chemical communications (Cambridge, England)","2020","56","85","12933","12936","10.1039/d0cc05887d","","","0.71073","MoKα","","0.0874","0.0659","","","0.1798","0.196","","","","","","1.087","","","","has coordinates","260672","2021-01-07","04:49:21",""
"7127321","8.8477","0.0002","14.2309","0.0002","9.6371","0.0001","90","","95.549","0.002","90","","1207.73","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H22 N2 O5 -","- C30 H22 N2 O5 -","- C60 H44 N4 O10 -","2","1","","Yuan, Xi; Wu, Xudong; Peng, Fei; Yang, Haijun; Zhu, Changjin; Fu, Hua","Organocatalytic asymmetric synthesis of arylindolyl indolin-3-ones with both axial and central chirality.","Chemical communications (Cambridge, England)","2020","56","83","12648","12651","10.1039/d0cc05432a","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0922","0.0937","","","","","","1.034","","","","has coordinates","260612","2021-01-07","04:34:03",""
"7127322","24.4848","0.0007","11.4726","0.0003","20.4806","0.0006","90","","108.738","0.001","90","","5448.2","0.3","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 F6 Fe N2 O7 S5 -","- C20 H20 F6 Fe N2 O7 S5 -","- C160 H160 F48 Fe8 N16 O56 S40 -","8","1","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","1.54178","CuKα","","0.0717","0.0595","","","0.1737","0.1871","","","","","","1.178","","","","has coordinates,has disorder","260618","2021-01-07","04:35:16",""
"7127323","10.277","0.0005","14.2819","0.0008","15.9309","0.0009","88","0.002","71.475","0.002","89.017","0.002","2215.7","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 F6 Fe N3 O8.5 S5 -","- C40 H42 F6 Fe N3 O8.5 S5 -","- C80 H84 F12 Fe2 N6 O17 S10 -","2","1","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","0.71073","MoKα","","0.117","0.0756","","","0.1951","0.2304","","","","","","1.031","","","","has coordinates,has disorder","260618","2021-01-07","04:35:17",""
"7127324","13.0248","0.0008","13.4754","0.0009","21.3868","0.0013","86.09","0.002","76.878","0.002","81.685","0.002","3614.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 F6 Fe N3 O7 S5 -","- C33 H29 F6 Fe N3 O7 S5 -","- C132 H116 F24 Fe4 N12 O28 S20 -","4","2","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","0.71073","MoKα","","0.1141","0.0937","","","0.2569","0.2745","","","","","","1.018","","","","has coordinates,has disorder","260618","2021-01-07","04:35:17",""
"7127325","14.2635","0.0004","17.4695","0.0006","30.1975","0.001","90","","90","","90","","7524.5","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H31 F6 Fe N3 O7 S5 -","- C35 H31 F6 Fe N3 O7 S5 -","- C280 H248 F48 Fe8 N24 O56 S40 -","8","1","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","0.71073","MoKα","","0.0847","0.0504","","","0.104","0.1224","","","","","","1.026","","","","has coordinates","260618","2021-01-07","04:35:17",""
"7127326","10.2874","0.0006","19.8376","0.0009","11.0367","0.0006","90","","111.416","0.006","90","","2096.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Co N6 O10 -","- C42 H44 Co N6 O10 -","- C84 H88 Co2 N12 O20 -","2","0.5","","Koyama, Shohei; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki","Preliminary chemical reduction for synthesizing a stable porous molecular conductor with neutral metal nodes.","Chemical communications (Cambridge, England)","2020","56","86","13109","13112","10.1039/d0cc03541f","","x-ray","0.71073","MoKα","","0.073","0.0449","","","0.1021","0.1141","","","","","","1.028","","","","has coordinates,has disorder","260607","2021-01-07","04:31:27",""
"7127327","19.8453","0.0007","19.8453","0.0007","9.5591","0.0007","90","","90","","120","","3260.3","0.3","120","2","120","2","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C42 H44 Co N6 O10 Rb0.5 -","- C42 H44 Co N6 O10 Rb0.5006 -","- C126 H132 Co3 N18 O30 Rb1.5018 -","3","0.25","","Koyama, Shohei; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki","Preliminary chemical reduction for synthesizing a stable porous molecular conductor with neutral metal nodes.","Chemical communications (Cambridge, England)","2020","56","86","13109","13112","10.1039/d0cc03541f","","","0.71073","MoKα","","0.0966","0.0594","","","0.15","0.1706","","","","","","1.025","","","","has coordinates,has disorder","260607","2021-01-07","04:31:27",""
"7127328","13.98","0.003","16.129","0.003","17.64","0.004","112.192","0.007","90.973","0.007","92.718","0.006","3676.1","1.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H75 Au5 Cl2 P3 Ru2 S0 -","- C74 H75 Au5 Cl2 P3 Ru2 -","- C148 H150 Au10 Cl4 P6 Ru4 -","2","1","","Sun, Yongnan; Yang, Dan; Zhang, Yuying; Hu, Weigang; Cheng, Xinglian; Liu, Xu; Chen, Mingyang; Zhu, Yan","Ligand-protected Au<sub>4</sub>Ru<sub>2</sub> and Au<sub>5</sub>Ru<sub>2</sub> nanoclusters: distinct structures and implications for site-cooperation catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12833","12836","10.1039/d0cc04692b","","","0.71073","MoKα","","0.0314","0.0252","","","0.0638","0.0666","","","","","","1.014","","","","has coordinates","260698","2021-01-07","04:55:52",""
"7127329","6.689","0.004","10.95","0.006","13.04","0.01","90","","94.67","0.05","90","","951.9","1.1","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2,3,4,5,6-pentamethylphenyl)(1,8,8-trimethylbicyclo[3.2.1]octan-3-yl)methanone","","- C23 H34 O -","- C23 H34 O -","- C46 H68 O2 -","2","1","","Bettoni, Léo; Gaillard, Sylvain; Renaud, Jean-Luc","A phosphine-free iron complex-catalyzed synthesis of cycloalkanes <i>via</i> the borrowing hydrogen strategy.","Chemical communications (Cambridge, England)","2020","56","85","12909","12912","10.1039/d0cc05840h","","","0.71073","MoKα","","0.102","0.0575","","","0.1086","0.1227","","","","","","0.984","","","","has coordinates","260668","2021-01-07","04:48:39",""
"7127330","10.361","0.005","22.362","0.01","10.254","0.004","90","","113.65","0.008","90","","2176.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4''-(tert-butyl)-6'-(methylthio)-[1,1':3',1''-terphenyl]-4'-carboxylate","","- C25 H26 O2 S -","- C25 H26 O2 S -","- C100 H104 O8 S4 -","4","1","","Parameshwar, Matam; Singam, Maneesh Kumar Reddy; Nagireddy, Attunuri; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar","Regioselective benzannulation of allylic sulfur ylides with ynones: a rapid access to substituted thioanisoles.","Chemical communications (Cambridge, England)","2020","56","87","13457","13460","10.1039/d0cc05436d","","","0.71073","MoKα","","0.0649","0.0505","","","0.1221","0.1328","","","","","","1.051","","","","has coordinates,has disorder","260708","2021-01-07","04:59:06",""
"7127331","15.184","0.0005","15.6113","0.0007","47.3346","0.0011","99.304","0.003","91.333","0.002","110.381","0.003","10341","0.7","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 F1.87 La0.09 O0.8 S0.36 -","- C6 H0.266667 F1.86667 La0.0888889 O0.8 S0.355556 -","- C270 H12 F84 La4 O36 S16 -","45","22.5","","Zhang, Yuan; Zhou, Yanyan; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Metal-directed synthesis of quadruple-stranded helical Eu(III) molecular switch: a significant improvement in photocyclization quantum yield.","Chemical communications (Cambridge, England)","2020","56","86","13213","13216","10.1039/d0cc05698g","","","","","","0.403","","","","","","","","","","","","","","","has coordinates","260604","2021-01-07","04:31:06",""
"7127332","22.3686","0.0014","25.4298","0.0015","17.1469","0.0013","90","","101.016","0.002","90","","9573.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C54 H54 N4 O15 Zn4 -","- C53.5 H54 N4 O15 Zn4 -","- C214 H216 N16 O60 Zn16 -","4","0.5","","Xi, Fu-Gui; Sun, Wei; Dong, Zhi-Yun; Yang, Ning-Ning; Gong, Teng; Gao, En-Qing","An in situ approach to functionalize metal-organic frameworks with tertiary aliphatic amino groups.","Chemical communications (Cambridge, England)","2020","56","86","13177","13180","10.1039/d0cc05568a","","","0.71073","MoKα","","0.1737","0.0827","","","0.2083","0.2655","","","","","","1.011","","","","has coordinates,has disorder","260601","2021-01-07","04:30:47",""
"7127333","8.9194","0.0017","8.8509","0.0017","25.242","0.005","90","","90.154","0.002","90","","1992.7","0.7","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.6 H21.12 Eu O18 S3 -","- C9.6 H20.9 Eu O18 S3 -","- C38.4 H83.6 Eu4 O72 S12 -","4","1","","Ruaysap, Makabodee; Kennedy, Stuart R.; Mayhan, Collin M.; Kelley, Steven P.; Kumari, Harshita; Deakyne, Carol A.; Atwood, Jerry L.","Novel keto-enol tautomerism in 1,3,5-trihydroxybenzene systems.","Chemical communications (Cambridge, England)","2020","56","85","12985","12988","10.1039/d0cc03639k","","","0.71073","MoKα","","0.0322","0.0293","","","0.0737","0.075","","","","","","1.104","","","","has coordinates,has disorder","260666","2021-01-07","04:48:14",""
"7127334","8.9342","0.0015","8.8762","0.0015","25.291","0.004","90","","90.34","0.002","90","","2005.6","0.6","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.6 H19.5 O18 S3 Sm -","- C9.6 H20.15 O18 S3 Sm -","- C38.4 H80.6 O72 S12 Sm4 -","4","1","","Ruaysap, Makabodee; Kennedy, Stuart R.; Mayhan, Collin M.; Kelley, Steven P.; Kumari, Harshita; Deakyne, Carol A.; Atwood, Jerry L.","Novel keto-enol tautomerism in 1,3,5-trihydroxybenzene systems.","Chemical communications (Cambridge, England)","2020","56","85","12985","12988","10.1039/d0cc03639k","","","0.71073","MoKα","","0.0365","0.0355","","","0.0875","0.0879","","","","","","1.254","","","","has coordinates,has disorder","260666","2021-01-07","04:48:14",""
"7127335","10.42782","0.00017","7.6985","0.00011","11.51764","0.00017","90","","106.53","0.0017","90","","886.41","0.02","150","0.1","150","0.1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","(4S,4aR,11aR)-7-bromo-11a-hydroxy-4-(nitromethyl)-1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo[a,d][7]annulen-5-one","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C32 H36 Br2 N2 O8 -","2","1","","Mato, Raquel; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Prieto, Liher; Manzano, Ruben; Vicario, Jose L.","Catalytic enantioselective domino Michael/transannular aldol reaction under bifunctional catalysis.","Chemical communications (Cambridge, England)","2020","56","86","13149","13152","10.1039/d0cc05981a","","x-ray","1.54184","CuKα","","0.0596","0.0573","","","0.185","0.1885","","","","","","1.195","","","","has coordinates","260599","2021-01-07","04:30:27",""
"7127336","9.19139","0.00011","11.21187","0.00014","15.13619","0.00018","90","","90","","90","","1559.82","0.03","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(2S,2aS,2a1S,5aR)-5a-hydroxy-2-(methoxycarbonyl)-2a,2a1,3,4,5,5a,6,7- octahydro-2H-benzo[6,7]cyclohepta[1,2,3-cd]isoindole 1-oxide","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Mato, Raquel; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Prieto, Liher; Manzano, Ruben; Vicario, Jose L.","Catalytic enantioselective domino Michael/transannular aldol reaction under bifunctional catalysis.","Chemical communications (Cambridge, England)","2020","56","86","13149","13152","10.1039/d0cc05981a","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0731","0.0751","","","","","","1.055","","","","has coordinates","260599","2021-01-07","04:30:28",""
"7127337","10.663","0.0014","9.0225","0.0009","12.3447","0.0016","90","","90.216","0.005","90","","1187.6","0.2","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 Br N O S -","- C29 H22 Br N O S -","- C58 H44 Br2 N2 O2 S2 -","2","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","0.71073","MoKα","","0.0478","0.0373","","","0.0864","0.0908","","","","","","1.073","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127338","7.1433","0.0002","16.4271","0.0005","18.919","0.0006","90","","90","","90","","2220.03","0.12","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","1.54178","CuKα","","0.0455","0.0419","","","0.0994","0.1013","","","","","","1.079","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127339","9.7976","0.0015","8.723","0.0009","14.089","0.002","90","","110.142","0.005","90","","1130.5","0.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H23 N O S -","- C29 H23 N O S -","- C58 H46 N2 O2 S2 -","2","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","0.71073","MoKα","","0.142","0.0593","","","0.1226","0.1772","","","","","","0.975","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127340","10.0966","0.0005","16.0127","0.0008","27.6462","0.0014","90","","90","","90","","4469.7","0.4","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H46 N2 O2 S2 -","- C58 H46 N2 O2 S2 -","- C232 H184 N8 O8 S8 -","4","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","1.54178","CuKα","","0.0336","0.0305","","","0.0672","0.0691","","","","","","1.055","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127341","16.3413","0.0006","10.2541","0.0004","15.7957","0.0004","90","","91.96","0.003","90","","2645.26","0.16","219.99","0.1","219.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Eu N4 O14 -","- C22 H23 Eu N4 O14 -","- C88 H92 Eu4 N16 O56 -","4","1","","Fu, Ting; Wei, Yong-Li; Zhang, Chong; Li, Lin-Ke; Liu, Xiao-Fei; Li, Hai-Yang; Zang, Shuang-Quan","A viologen-based multifunctional Eu-MOF: photo/electro-modulated chromism and luminescence.","Chemical communications (Cambridge, England)","2020","56","86","13093","13096","10.1039/d0cc06096h","","x-ray","1.54184","CuKα","","0.1161","0.1031","","","0.2765","0.2942","","","","","","1.089","","","","has coordinates,has disorder","260602","2021-01-07","04:30:54",""
"7127342","7.7989","0.0015","9.4618","0.0018","24.171","0.005","95.058","0.002","94.646","0.003","112.464","0.002","1629.1","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H38 Cl Ir N2 O5.5 -","- C34.5 H38 Cl Ir N2 O5.5 -","- C69 H76 Cl2 Ir2 N4 O11 -","2","1","","Nguyen, Huong T. H.; Do, Loi H.","Organoiridium-quinone conjugates for facile hydrogen peroxide generation.","Chemical communications (Cambridge, England)","2020","56","87","13381","13384","10.1039/d0cc04970k","","","0.71073","MoKα","","0.0488","0.0478","","","0.117","0.1188","","","","","","1.322","","","","has coordinates,has disorder","260715","2021-01-07","05:00:14",""
"7127343","13.2431","0.0006","13.9354","0.0008","16.0383","0.0007","89.203","0.004","87.031","0.004","67.239","0.005","2725.6","0.3","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 As4 Fe2 N4 -","- C54 H74 As4 Fe2 N4 -","- C108 H148 As8 Fe4 N8 -","2","1","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0568","0.0498","","","0.1385","0.1461","","","","","","1.056","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127344","13.2706","0.0005","14.0867","0.0005","15.8705","0.0003","89.309","0.002","86.365","0.002","67.8","0.003","2741.13","0.16","122.97","0.14","122.97","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 As4 Fe2 N4 -","- C54 H74 As4 Fe2 N4 -","- C108 H148 As8 Fe4 N8 -","2","1","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0653","0.0617","","","0.188","0.1984","","","","","","1.06","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127345","13.60288","0.00012","14.75365","0.00014","26.0325","0.0002","82.1763","0.0008","76.4461","0.0008","78.1144","0.0008","4948.88","0.08","123","0.14","123","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C101.5 H120 As8 Fe4 N8 -","- C101.5 H120 As8 Fe4 N8 -","- C203 H240 As16 Fe8 N16 -","2","1","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0295","0.0279","","","0.0743","0.0754","","","","","","1.034","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7127346","24.8828","0.0007","12.9874","0.0003","26.3513","0.0007","90","","103.716","0.003","90","","8272.9","0.4","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H92 As8 Fe4 N8 -","- C83 H92 As8 Fe4 N8 -","- C332 H368 As32 Fe16 N32 -","4","0.5","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0541","0.0346","","","0.0667","0.0732","","","","","","1.014","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127347","14.2884","0.0002","13.6019","0.0001","15.3559","0.0002","90","","103.879","0.001","90","","2897.28","0.06","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 As3.78 Fe2 N4 -","- C58 H82 As3.7744 Fe2 N4 -","- C116 H164 As7.5488 Fe4 N8 -","2","0.5","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0355","0.0352","","","0.0931","0.0933","","","","","","1.043","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127348","6.1633","0.0009","10.2878","0.0014","11.0233","0.0016","88.901","0.011","81.769","0.012","81.501","0.012","684.15","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","1","","Chakraborty, Soumi; Das, Arpan; Ahmed, Jasimuddin; Barman, Sayani; Mandal, Swadhin K.","Designing a Cr-catalyst bearing redox non-innocent phenalenyl-based ligand towards hydrosilylative CO<sub>2</sub> functionalization.","Chemical communications (Cambridge, England)","2020","56","89","13788","13791","10.1039/d0cc05348a","","x-ray","0.71073","MoKα","","0.0925","0.0742","","","0.1928","0.2178","","","","","","1.033","","","","has coordinates","260656","2021-01-07","04:45:39",""
"7127349","9.8879","0.0007","16.9397","0.001","20.5976","0.0014","83.383","0.005","76.246","0.006","89.429","0.005","3328.3","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Cl2 Cr2 N8 O10 -","- C80 H72 Cl2 Cr2 N8 O10 -","- C160 H144 Cl4 Cr4 N16 O20 -","2","1","","Chakraborty, Soumi; Das, Arpan; Ahmed, Jasimuddin; Barman, Sayani; Mandal, Swadhin K.","Designing a Cr-catalyst bearing redox non-innocent phenalenyl-based ligand towards hydrosilylative CO<sub>2</sub> functionalization.","Chemical communications (Cambridge, England)","2020","56","89","13788","13791","10.1039/d0cc05348a","","x-ray","0.71073","MoKα","","0.1123","0.1025","","","0.2616","0.2673","","","","","","1.168","","","","has coordinates","260656","2021-01-07","04:45:39",""
"7127350","10.8897","0.0004","21.2774","0.0006","11.9691","0.0004","90","","113.656","0.004","90","","2540.26","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H84 Co Li N3 O6 -","- C48 H84 Co Li N3 O6 -","- C96 H168 Co2 Li2 N6 O12 -","2","1","","Das, Chinmoy; Rasamsetty, Amaleswari; Tripathi, Shalini; Shanmugam, Maheswaran","Magnetization relaxation dynamics of a rare coordinatively unsaturated Co(II) complex: experimental and theoretical insights.","Chemical communications (Cambridge, England)","2020","56","87","13397","13400","10.1039/d0cc05963c","","","0.71073","MoKα","","0.0792","0.0604","","","0.1388","0.171","","","","","","1.145","","","","has coordinates","260713","2021-01-07","04:59:47",""
"7127351","10.0805","0.0005","10.9216","0.0005","16.5042","0.001","73.491","0.005","88.101","0.004","84.877","0.004","1735.11","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Cu N2 P -","- C39 H46 Cu N2 P -","- C78 H92 Cu2 N4 P2 -","2","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.0546","0.0405","","","0.0826","0.0891","","","","","","1.034","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127352","16.7653","0.0004","16.7976","0.0003","17.4582","0.0003","99.123","0.001","103.295","0.002","92.374","0.002","4708.68","0.17","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H122 Cu2 N6 P2 S2 -","- C106 H122 Cu2 N6 P2 S2 -","- C212 H244 Cu4 N12 P4 S4 -","2","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","1.54184","CuKα","","0.0362","0.0327","","","0.0834","0.0862","","","","","","1.011","","","","has coordinates,has disorder","260706","2021-01-07","04:58:48",""
"7127353","11.3727","0.0003","11.3954","0.0004","22.6857","0.0008","90.164","0.003","91.091","0.003","101.25","0.003","2882.91","0.17","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Cu2 N4 P2 -","- C68 H76 Cu2 N4 P2 -","- C136 H152 Cu4 N8 P4 -","2","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.054","0.0426","","","0.1054","0.1078","","","","","","1.056","","","","has coordinates,has disorder","260706","2021-01-07","04:58:48",""
"7127354","12.8035","0.0003","16.6298","0.0004","17.6961","0.0004","104.81","0.002","90.293","0.002","95.555","0.002","3623.82","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Cu N2 P -","- C40 H50 Cu N2 P -","- C160 H200 Cu4 N8 P4 -","4","2","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.0672","0.0416","","","0.0836","0.0932","","","","","","1.014","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127355","12.9476","0.0003","19.6806","0.0003","13.1443","0.0003","90","","119.072","0.003","90","","2927.4","0.14","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Cu N2 P -","- C33 H36 Cu N2 P -","- C132 H144 Cu4 N8 P4 -","4","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.045","0.0317","","","0.0732","0.0796","","","","","","1.025","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127356","10.7063","0.0001","12.6577","0.0001","32.3409","0.0003","90","","98.799","0.001","90","","4331.17","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cu N2 P S2 -","- C47 H56 Cu N2 P S2 -","- C188 H224 Cu4 N8 P4 S8 -","4","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","1.54184","CuKα","","0.0498","0.0445","","","0.1161","0.1215","","","","","","1.041","","","","has coordinates,has disorder","260706","2021-01-07","04:58:48",""
"7127357","12.5486","0.0001","18.9533","0.0001","17.66","0.0001","90","","106.233","0.001","90","","4032.76","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 Cu N3 O P -","- C44 H57 Cu N3 O P -","- C176 H228 Cu4 N12 O4 P4 -","4","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","1.54184","CuKα","","0.0344","0.0325","","","0.0859","0.0876","","","","","","1.027","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127358","7.968","0.002","12.17","0.004","15.304","0.004","87.17","0.02","86.3","0.02","74.76","0.02","1428.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CaCl2 etiracetam Isonicotinamide","CaCl2 (RS)-2-(2-Oxopyrrolidin-1-yl)butanamide pyridine-4-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C44 H72 Ca2 Cl4 N12 O12 -","2","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.1544","0.0989","","","0.2139","0.2391","","","","","","1.098","","","","has coordinates,has disorder","260600","2021-01-07","04:30:36",""
"7127359","11.9243","0.0005","8.0669","0.0003","15.4348","0.0007","90","","92.338","0.004","90","","1483.47","0.11","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","CaCl2 Levetiracetam Nicotinamide","CaCl2 (S)-2-(2-oxopyrrolidin-1-yl)butanamide pyridine-3-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C44 H72 Ca2 Cl4 N12 O12 -","2","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.0581","0.0433","","","0.09","0.0959","","","","","","1.031","","","","has coordinates,has disorder","260600","2021-01-07","04:30:37",""
"7127360","7.9303","0.00011","15.1768","0.0002","23.7226","0.0003","90","","90","","90","","2855.17","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CaCl2 Levetiracetam Isonicotinamide","CaCl2 (S)-2-(2-oxopyrrolidin-1-yl)butanamide pyridine-4-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C88 H144 Ca4 Cl8 N24 O24 -","4","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.0317","0.0293","","","0.0709","0.0725","","","","","","1.042","","","","has coordinates","260600","2021-01-07","04:30:37",""
"7127361","8.8162","0.0005","9.9355","0.0005","12.7903","0.0007","88.965","0.004","85.831","0.004","70.437","0.005","1052.86","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O4 S2 -","- C23 H22 O4 S2 -","- C46 H44 O8 S4 -","2","1","","Wang, Yu; Tang, Kongshuang; Liu, Zhaohong; Ning, Yongquan","Disulfonation of terminal alkynes for 1,2-bisulfonylethenes.","Chemical communications (Cambridge, England)","2020","56","86","13141","13144","10.1039/d0cc05849a","","x-ray","0.71073","MoKα","","0.0679","0.0469","","","0.1138","0.1312","","","","","","1.049","","","","has coordinates","260603","2021-01-07","04:31:00",""
"7127362","8.78349","0.00014","25.2447","0.0004","11.5445","0.0002","90","","92.4781","0.0016","90","","2557.44","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 Br F3 N O5 -","- C26 H23 Br F3 N O5 -","- C104 H92 Br4 F12 N4 O20 -","4","2","","Zhang, Xia-Yan; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Organocatalytic asymmetric tandem α-functionalization/1,3-proton shift reaction of benzylidene succinimides with β-trifluoromethyl enones.","Chemical communications (Cambridge, England)","2020","56","87","13449","13452","10.1039/d0cc05474g","","x-ray","1.54184","CuKα","","0.0526","0.0477","","","0.1254","0.131","","","","","","1.016","","","","has coordinates","260710","2021-01-07","04:59:26",""
"7127363","11.2309","0.0006","22.0675","0.0012","20.7788","0.0011","90","","98.817","0.002","90","","5088.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H10 Br O4 S4 Y -","- C91 H10 Br O4 S4 Y -","- C364 H40 Br4 O16 S16 Y4 -","4","1","","Shen, Wangqiang; Yang, Le; Li, Bo; Jin, Peng; Yu, Bing; Cong, Hailin; Akasaka, Takeshi; Lu, Xing","Metal-encapsulation induces a highly regioselective Bingel-Hirsch reaction of the labile Y@<i>C</i><sub>s</sub>(6)-C<sub>82</sub>.","Chemical communications (Cambridge, England)","2020","56","92","14357","14360","10.1039/d0cc06226j","","","0.71073","MoKα","","0.1054","0.0851","","","0.2103","0.2265","","","","","","1.017","","","","has coordinates","260680","2021-01-07","04:51:41",""
"7127364","6.0728","0.0008","24.305","0.002","15.0006","0.0014","90","","98.929","0.004","90","","2187.2","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br2 N2 O2 -","- C24 H22 Br2 N2 O2 -","- C96 H88 Br8 N8 O8 -","4","1","","Silvestri, A. P.; Oakdale, J. S.","Intermolecular cyclotrimerization of haloketoalkynes and internal alkynes: facile access to arenes and phthalides.","Chemical communications (Cambridge, England)","2020","56","87","13417","13420","10.1039/d0cc05706a","","x-ray","0.71073","MoKα","","0.0496","0.0346","","","0.0701","0.0745","","","","","","1.013","","","","has coordinates","260705","2021-01-07","04:57:44",""
"7127365","8.5662","0.0006","8.5847","0.0006","9.5341","0.0006","96.065","0.002","102.093","0.002","95.978","0.002","675.95","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br2 N O4 -","- C12 H11 Br2 N O4 -","- C24 H22 Br4 N2 O8 -","2","1","","Silvestri, A. P.; Oakdale, J. S.","Intermolecular cyclotrimerization of haloketoalkynes and internal alkynes: facile access to arenes and phthalides.","Chemical communications (Cambridge, England)","2020","56","87","13417","13420","10.1039/d0cc05706a","","x-ray","0.71073","MoKα","","0.049","0.0302","","","0.0625","0.0684","","","","","","1.025","","","","has coordinates","260705","2021-01-07","04:57:44",""
"7127366","14.809","0.0007","9.7032","0.0004","18.6573","0.0009","90","","113.307","0.002","90","","2462.2","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H46 Cl N5 O5 P2 Pt -","- C47 H46 Cl N5 O5 P2 Pt -","- C94 H92 Cl2 N10 O10 P4 Pt2 -","2","1","","Leitão, Maria Inês P S; Gonzalez, Carmen; Francescato, Giulia; Filipiak, Zuzanna; Petronilho, Ana","On the reactivity of mRNA Cap0: C-H oxidative addition of 7-methylguanosine to Pt<sup>0</sup> and base pairing studies.","Chemical communications (Cambridge, England)","2020","56","87","13365","13368","10.1039/d0cc06075e","","x-ray","0.71073","MoKα","","0.0483","0.0424","","","0.1048","0.1071","","","","","","1.052","","","","has coordinates","260709","2021-01-07","04:59:14",""
"7127367","15.05","0.002","15.46","0.002","22.031","0.003","90","","108.853","0.003","90","","4851","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Co F18 N10 P3 -","- C46 H40 Co F18 N10 P3 -","- C184 H160 Co4 F72 N40 P12 -","4","0.5","","Mansoor, Iram F.; Wozniak, Derek I.; Wu, Yilei; Lipke, Mark C.","A delocalized cobaltoviologen with seven reversibly accessible redox states and highly tunable electrochromic behaviour.","Chemical communications (Cambridge, England)","2020","56","89","13864","13867","10.1039/d0cc05627h","","","0.71073","MoKα","","0.1128","0.0782","","","0.1953","0.2195","","","","","","1.067","","","","has coordinates","260653","2021-01-07","04:45:14",""
"7127368","12.9089","0.0014","31.053","0.003","25.429","0.003","90","","90.106","0.002","90","","10193.5","1.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Co F24 N9 P4 -","- C44 H37 Co F24 N9 P4 -","- C352 H296 Co8 F192 N72 P32 -","8","2","","Mansoor, Iram F.; Wozniak, Derek I.; Wu, Yilei; Lipke, Mark C.","A delocalized cobaltoviologen with seven reversibly accessible redox states and highly tunable electrochromic behaviour.","Chemical communications (Cambridge, England)","2020","56","89","13864","13867","10.1039/d0cc05627h","","","0.71073","MoKα","","0.0691","0.0527","","","0.11","0.1174","","","","","","1.076","","","","has coordinates","260653","2021-01-07","04:45:14",""
"7127369","13.6806","0.0008","9.1444","0.0004","14.0282","0.0008","90","","100.311","0.002","90","","1726.6","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br2 N3 Zn -","- C15 H19 Br2 N3 Zn -","- C60 H76 Br8 N12 Zn4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0981","0.0432","","","0.0692","0.0821","","","","","","1.004","","","","has coordinates","260597","2021-01-07","04:29:58",""
"7127370","12.8681","0.0006","11.5859","0.0005","14.3384","0.0008","90","","103.984","0.002","90","","2074.34","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Br2 N3 Zn -","- C17 H25 Br2 N3 Zn -","- C68 H100 Br8 N12 Zn4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0943","0.0528","","","0.1351","0.1515","","","","","","0.952","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127371","10.8931","0.0006","11.4206","0.0007","12.3188","0.0007","83.305","0.002","63.943","0.002","73.559","0.002","1320.41","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 B Br N5 Zn -","- C24 H39 B Br N5 Zn -","- C48 H78 B2 Br2 N10 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0489","0.0371","","","0.0913","0.0968","","","","","","1.079","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127372","15.0468","0.0016","11.2801","0.0007","16.7588","0.0017","90","","103.198","0.002","90","","2769.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B Br2 N3 Zn -","- C25 H38 B Br2 N3 Zn -","- C100 H152 B4 Br8 N12 Zn4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0579","0.0396","","","0.0961","0.1058","","","","","","1.039","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127373","13.0034","0.0009","13.5104","0.001","15.0119","0.0014","86.957","0.003","87.514","0.004","73.838","0.004","2528.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H34 B Br2 N3 Zn -","- C23 H34 B Br2 N3 Zn -","- C92 H136 B4 Br8 N12 Zn4 -","4","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0542","0.0405","","","0.0934","0.1017","","","","","","1.075","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127374","11.9524","0.0006","11.9577","0.0006","12.1827","0.0007","107.294","0.0019","93.865","0.002","110.961","0.0018","1522.69","0.14","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H40 B Br F3 N5 O3 S Zn -","- C25 H40 B Br F3 N5 O3 S Zn -","- C50 H80 B2 Br2 F6 N10 O6 S2 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0574","0.0358","","","0.0838","0.093","","","","","","1.026","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127375","10.661","0.0005","11.8149","0.0006","13.2704","0.0006","105.494","0.002","99.734","0.002","101.5","0.002","1534.07","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H44 B Br2 N5 Zn -","- C29 H44 B Br2 N5 Zn -","- C58 H88 B2 Br4 N10 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0834","0.0377","","","0.0671","0.0786","","","","","","1.013","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127376","12.419","0.0012","12.4357","0.0012","30.319","0.003","89.995","0.003","90.007","0.003","119.911","0.003","4058.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 F12 O4 P6 Zn -","- C24 H60 F12 O4 P6 Zn -","- C96 H240 F48 O16 P24 Zn4 -","4","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0773","0.0638","","","0.172","0.1863","","","","","","1.057","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127377","12.0353","0.0008","24.2453","0.0015","21.535","0.0012","90","","92.423","0.002","90","","6278.3","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H45 B Br2 N5 Zn -","- C28 H45 B Br2 N5 Zn -","- C224 H360 B8 Br16 N40 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0591","0.0364","","","0.0856","0.0941","","","","","","1.058","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127378","27.6433","0.0013","15.2931","0.0008","18.2871","0.0009","90","","119.684","0.0015","90","","6716.4","0.6","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 B Br Cl2 F6 N5 P Zn -","- C25.999 H43.998 B Br Cl1.998 F6 N5 P Zn -","- C207.992 H351.984 B8 Br8 Cl15.984 F48 N40 P8 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0596","0.041","","","0.1067","0.1169","","","","","","1.041","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127379","15.0988","0.0007","20.3399","0.001","21.5241","0.001","87.7923","0.0019","84.8814","0.0018","71.6768","0.0019","6249.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.41 H91.23 B2 Br4 N8 O2.04 Zn2 -","- C55.411 H91.233 B2 Br4 N8 O2.0445 Zn2 -","- C221.644 H364.932 B8 Br16 N32 O8.178 Zn8 -","4","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0912","0.0534","","","0.1435","0.1687","","","","","","1.026","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127380","17.2348","0.0011","11.4411","0.0008","20.0805","0.0014","90","","92.729","0.003","90","","3955.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Br2 N3 Zn -","- C17 H23 Br2 N3 Zn -","- C136 H184 Br16 N24 Zn8 -","8","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0739","0.046","","","0.1108","0.1255","","","","","","1.04","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127381","11.5579","0.0007","12.4732","0.0008","14.2722","0.0009","106.92","0.002","101.436","0.002","113.029","0.002","1693.95","0.19","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H46 B Br F3 N5 O4 S Zn -","- C28 H46 B Br F3 N5 O4 S Zn -","- C56 H92 B2 Br2 F6 N10 O8 S2 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0458","0.0328","","","0.0801","0.0857","","","","","","1.052","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127382","17.2098","0.0016","7.3662","0.0007","22.672","0.002","90","","90","","90","","2874.1","0.5","289","2","289","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C152 H128 N16 -","8","1","","Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo","γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.","Chemical communications (Cambridge, England)","2020","56","87","13389","13392","10.1039/d0cc04740f","","","0.71073","MoKα","","0.0997","0.0559","","","0.1235","0.1511","","","","","","1.141","","","","has coordinates","260712","2021-01-07","04:59:41",""
"7127383","18.1856","0.0005","7.4674","0.0002","16.226","0.0004","90","","111.448","0.001","90","","2050.89","0.09","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl N2 O Rh -","- C22 H28 Cl N2 O Rh -","- C88 H112 Cl4 N8 O4 Rh4 -","4","1","","Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo","γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.","Chemical communications (Cambridge, England)","2020","56","87","13389","13392","10.1039/d0cc04740f","","","1.54178","CuKα","","0.0181","0.0174","","","0.043","0.0434","","","","","","1.046","","","","has coordinates","260712","2021-01-07","04:59:41",""
"7127384","37.719","0.002","9.9975","0.0006","27.5561","0.0014","90","","129.915","0.001","90","","7970.1","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.72 H73.15 Cl0.28 Li6 N6 O -","- C27.717 H73.151 Cl0.283 Li6 N6 O -","- C221.736 H585.208 Cl2.264 Li48 N48 O8 -","8","1","","Knauer, Lena; Strohmann, Carsten","The structure-defining incorporation of chloride in methyllithium dimers.","Chemical communications (Cambridge, England)","2020","56","88","13543","13546","10.1039/d0cc05547f","","x-ray","0.71073","MoKα","","0.0941","0.0594","","","0.1401","0.1571","","","","","","1.048","","","","has coordinates,has disorder","260633","2021-01-07","04:39:22",""
"7127385","19.9942","0.0006","11.0399","0.0003","17.1245","0.0005","90","","110.506","0.001","90","","3540.44","0.18","100","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11.89 H31.67 Cl0.11 Li3 N3 -","- C11.889 H31.667 Cl0.111 Li3 N3 -","- C95.112 H253.336 Cl0.888 Li24 N24 -","8","1","","Knauer, Lena; Strohmann, Carsten","The structure-defining incorporation of chloride in methyllithium dimers.","Chemical communications (Cambridge, England)","2020","56","88","13543","13546","10.1039/d0cc05547f","","x-ray","1.54178","CuKα","","0.0517","0.0424","","","0.1108","0.1175","","","","","","1.042","","","","has coordinates,has disorder","260633","2021-01-07","04:39:23",""
"7127386","9.4887","0.0017","11.075","0.003","9.7615","0.0019","90","","95.203","0.01","90","","1021.6","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl2 Li2 O4 -","- C16 H32 Cl2 Li2 O4 -","- C32 H64 Cl4 Li4 O8 -","2","0.5","","Knauer, Lena; Strohmann, Carsten","The structure-defining incorporation of chloride in methyllithium dimers.","Chemical communications (Cambridge, England)","2020","56","88","13543","13546","10.1039/d0cc05547f","","x-ray","0.71073","MoKα","","0.0477","0.0381","","","0.0836","0.0879","","","","","","1.11","","","","has coordinates,has disorder","260633","2021-01-07","04:39:23",""
"7127387","3.7618","0.0005","24.323","0.003","41.416","0.006","90","","90","","90","","3789.5","0.9","93","","93","","","","","","","","","3","P n n n :2","-P 2ab 2bc","48","CPDBC","4,4',4'',4'''-(dibenzo[g,p]chrysene-2,7,10,15-tetrayl)tetrabenzoic acid","","- C54 H32 O8 -","- C54 H32 O8 -","- C108 H64 O16 -","2","0.25","","Suzuki, Yuto; Tohnai, Norimitsu; Saeki, Akinori; Hisaki, Ichiro","Hydrogen-bonded organic frameworks of twisted polycyclic aromatic hydrocarbon.","Chemical communications (Cambridge, England)","2020","56","87","13369","13372","10.1039/d0cc06081j","","","0.4286","synchrotron","","0.0974","0.0763","","","0.239","0.2556","","","","","","1.01","","","","has coordinates","260704","2021-01-07","04:57:37",""
"7127388","47.5006","0.001","47.5006","0.001","7.417","0.0002","90","","90","","90","","16735","0.7","93","","93","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","CPDBC","4,4',4'',4'''-(dibenzo[g,p]chrysene-2,7,10,15-tetrayl)tetrabenzoic acid","","- C54 H32 O8 -","- C54 H32 O8 -","- C432 H256 O64 -","8","0.25","","Suzuki, Yuto; Tohnai, Norimitsu; Saeki, Akinori; Hisaki, Ichiro","Hydrogen-bonded organic frameworks of twisted polycyclic aromatic hydrocarbon.","Chemical communications (Cambridge, England)","2020","56","87","13369","13372","10.1039/d0cc06081j","","","0.81106","synchrotron","","0.1163","0.0917","","","0.2698","0.292","","","","","","1.053","","","","has coordinates","260704","2021-01-07","04:57:38",""
"7127389","5.97592","0.0001","22.3752","0.0005","13.3264","0.0003","90","","97.3628","0.0017","90","","1767.21","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Gu, Jia-Yi; Zhang, Wei; Jackson, Seth R.; He, Yan-Hong; Guan, Zhi","Photoinduced umpolung addition of carbonyl compounds with α,β-unsaturated esters enables the polysubstituted γ-lactone formation.","Chemical communications (Cambridge, England)","2020","56","87","13441","13444","10.1039/d0cc05306f","","","1.54184","CuKα","","0.0516","0.0468","","","0.1309","0.1353","","","","","","1.044","","","","has coordinates","260711","2021-01-07","04:59:33",""
"7127390","6.11677","0.00009","21.9208","0.0003","13.21139","0.00019","90","","96.7434","0.0014","90","","1759.19","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Gu, Jia-Yi; Zhang, Wei; Jackson, Seth R.; He, Yan-Hong; Guan, Zhi","Photoinduced umpolung addition of carbonyl compounds with α,β-unsaturated esters enables the polysubstituted γ-lactone formation.","Chemical communications (Cambridge, England)","2020","56","87","13441","13444","10.1039/d0cc05306f","","","1.54184","CuKα","","0.0476","0.043","","","0.1083","0.1121","","","","","","1.045","","","","has coordinates","260711","2021-01-07","04:59:33",""
"7127391","8.858","0.0005","9.6854","0.0006","14.7645","0.0009","104.257","0.005","103.276","0.005","101.697","0.005","1148.85","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Cu(NHC)(hmds)","(1,3-di-tert-butyl-imidazolin-2-ylidene) copper(I) bis(trimethylsilyl)amide","","- C17 H40 Cu N3 Si2 -","- C17 H40 Cu N3 Si2 -","- C34 H80 Cu2 N6 Si4 -","2","1","","Boysen, Nils; Misimi, Bujamin; Muriqi, Arbresha; Wree, Jan-Lucas; Hasselmann, Tim; Rogalla, Detlef; Haeger, Tobias; Theirich, Detlef; Nolan, Michael; Riedl, Thomas; Devi, Anjana","A carbene stabilized precursor for the spatial atomic layer deposition of copper thin films.","Chemical communications (Cambridge, England)","2020","56","89","13752","13755","10.1039/d0cc05781a","","x-ray","1.54184","CuKα","","0.04","0.0327","","","0.0805","0.0856","","","","","","1.036","","","","has coordinates","260652","2021-01-07","04:45:05",""
"7127392","14.9822","0.0011","25.2721","0.0018","31.619","0.002","90","","93.655","0.002","90","","11947.6","1.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Cs4 H62 K7 Na5 Nb23 O108 V5 -","- Cs0.25 K7 Na3.5 Nb23 O107.25 V5 -","- Cs K28 Na14 Nb92 O429 V20 -","4","1","","Zhen, Ni; Dong, Jing; Lin, Zhengguo; Li, Xiaoxia; Chi, Yingnan; Hu, Changwen","Self-assembly of polyoxovanadate-capped polyoxoniobates and their catalytic decontamination of sulfur mustard simulants.","Chemical communications (Cambridge, England)","2020","56","90","13967","13970","10.1039/d0cc06277d","","","0.71073","MoKα","","0.0982","0.0886","","","0.232","0.2397","","","","","","1.099","","","","has coordinates","260657","2021-01-07","04:46:02",""
"7127393","15.9678","0.0008","23.5105","0.0013","16.2976","0.0009","90","","104.33","0.0016","90","","5927.9","0.6","153","2","153","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cs4 H74 K8 Na5 Nb23 O115 V6 -","- Cs3 K6.5 Na Nb23 O91.5 V6 -","- Cs6 K13 Na2 Nb46 O183 V12 -","2","0.5","","Zhen, Ni; Dong, Jing; Lin, Zhengguo; Li, Xiaoxia; Chi, Yingnan; Hu, Changwen","Self-assembly of polyoxovanadate-capped polyoxoniobates and their catalytic decontamination of sulfur mustard simulants.","Chemical communications (Cambridge, England)","2020","56","90","13967","13970","10.1039/d0cc06277d","","","0.71073","MoKα","","0.071","0.0609","","","0.2062","0.2196","","","","","","1.03","","","","has coordinates,has disorder","260657","2021-01-07","04:46:05",""
"7127394","9.0833","0.0006","13.9679","0.0008","20.8666","0.0011","90","","90","","90","","2647.4","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Al Cl2 F6 N2 O3 -","- C26 H27 Al Cl2 F6 N2 O3 -","- C104 H108 Al4 Cl8 F24 N8 O12 -","4","1","","Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe","Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.","Chemical communications (Cambridge, England)","2020","56","88","13528","13531","10.1039/d0cc05957a","","","0.71073","MoKα","","0.0675","0.0436","","","0.0769","0.0858","","","","","","0.984","","","","has coordinates","260634","2021-01-07","04:39:29",""
"7127395","10.2589","0.0004","10.8028","0.0004","11.3273","0.0004","100.728","0.002","97.616","0.002","109.85","0.002","1133.8","0.08","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C56 H59 Al N2 O3 -","- C56 H59 Al N2 O3 -","- C56 H59 Al N2 O3 -","1","1","","Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe","Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.","Chemical communications (Cambridge, England)","2020","56","88","13528","13531","10.1039/d0cc05957a","","","0.71073","MoKα","","0.0651","0.0541","","","0.1322","0.1406","","","","","","1.03","","","","has coordinates","260634","2021-01-07","04:39:30",""
"7127396","11.1923","0.0003","13.0857","0.0004","15.6457","0.0005","84.3144","0.0005","74.4558","0.0005","68.8762","0.0005","2059.29","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Au B2 O2 P2 -","- C45 H56 Au B2 O2 P2 -","- C90 H112 Au2 B4 O4 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0145","0.0137","","","0.0345","0.0347","","","","","","1.058","","","","has coordinates,has disorder","260655","2021-01-07","04:45:32",""
"7127397","12.4601","0.0004","27.1704","0.001","16.4408","0.0006","90","","94.0898","0.0006","90","","5551.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H81 Au B2 K O8.5 P2 -","- C53 H81 Au B2 K O8.5 P2 -","- C212 H324 Au4 B8 K4 O34 P8 -","4","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0264","0.0213","","","0.0479","0.0498","","","","","","1.055","","","","has coordinates,has disorder","260655","2021-01-07","04:45:32",""
"7127398","11.5721","0.0003","13.3494","0.0004","17.4347","0.0005","77.4593","0.0005","77.1738","0.0005","68.9764","0.0005","2423.17","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H69.47 Au B2 K O7.53 P2 -","- C48 H69.477 Au B2 K O7.523 P2 -","- C96 H138.954 Au2 B4 K2 O15.046 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0148","0.0141","","","0.0355","0.0357","","","","","","1.076","","","","has coordinates,has disorder","260655","2021-01-07","04:45:32",""
"7127399","19.5549","0.0003","17.1275","0.0003","19.6848","0.0003","90","","90","","90","","6592.96","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H45 Au B2 O P2 -","- C36 H45 Au B2 O P2 -","- C288 H360 Au8 B16 O8 P16 -","8","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0203","0.0148","","","0.0344","0.0369","","","","","","1.053","","","","has coordinates","260655","2021-01-07","04:45:32",""
"7127400","10.5332","0.0005","21.0945","0.0008","8.1916","0.0003","90","","94.7245","0.0013","90","","1813.93","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H20 N10 S5 -","- C5 H20 N10 S5 -","- C20 H80 N40 S20 -","4","1","","Liu, Ziwei; Wu, Long-Fei; Bond, Andrew D.; Sutherland, John D.","Photoredox chemistry in the synthesis of 2-aminoazoles implicated in prebiotic nucleic acid synthesis.","Chemical communications (Cambridge, England)","2020","56","88","13563","13566","10.1039/d0cc05752e","","","0.71073","MoKα","","0.0744","0.0321","","","0.0611","0.0645","","","","","","0.812","","","","has coordinates","260631","2021-01-07","04:38:38",""
"7127401","12.1998","0.0005","7.4008","0.0003","21.8754","0.001","90","","123.518","0.003","90","","1646.66","0.13","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Bi Cl5 N2 S2 -","- C6 H16 Bi Cl5 N2 S2 -","- C24 H64 Bi4 Cl20 N8 S8 -","4","1","","Liu, Yu-Ting; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A one-dimensional switchable dielectric material with Pd uptake function: [(CH<sub>2</sub>)<sub>3</sub>NH<sub>2</sub>S]<sub>2</sub>BiCl<sub>5</sub>.","Chemical communications (Cambridge, England)","2020","56","89","13764","13767","10.1039/d0cc05648k","","","0.71073","MoKα","","0.0399","0.0349","","","0.0829","0.0854","","","","","","1.022","","","","has coordinates","260651","2021-01-07","04:45:00",""
"7127402","12.232","0.0004","7.5245","0.0002","22.0936","0.0008","90","","123.339","0.002","90","","1698.84","0.1","363","2","363","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Bi Cl5 N2 S2 -","- C6 H16 Bi Cl5 N2 S2 -","- C24 H64 Bi4 Cl20 N8 S8 -","4","1","","Liu, Yu-Ting; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A one-dimensional switchable dielectric material with Pd uptake function: [(CH<sub>2</sub>)<sub>3</sub>NH<sub>2</sub>S]<sub>2</sub>BiCl<sub>5</sub>.","Chemical communications (Cambridge, England)","2020","56","89","13764","13767","10.1039/d0cc05648k","","","0.71073","MoKα","","0.0467","0.0401","","","0.1037","0.1075","","","","","","1.067","","","","has coordinates","260651","2021-01-07","04:45:00",""
"7127403","10.049","0.003","10.24","0.003","13.391","0.004","76.934","0.004","77.667","0.004","71.574","0.004","1258.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 O3 S -","- C15 H12 O3 S -","- C60 H48 O12 S4 -","4","2","","Chen, Xiang-Long; Tang, Bo-Cheng; He, Cai; Ma, Jin-Tian; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Rongalite as a sulfone source: a novel copper-catalyzed sulfur dioxide anion incorporation process.","Chemical communications (Cambridge, England)","2020","56","88","13653","13656","10.1039/d0cc05800a","","","0.71073","MoKα","","0.0708","0.0634","","","0.1627","0.1778","","","","","","1.185","","","","has coordinates","260636","2021-01-07","04:39:45",""
"7127404","8.9409","0.0008","16.6725","0.0015","20.1342","0.0018","100.612","0.002","93.221","0.002","90.152","0.002","2945.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H57 N9 O4 S -","- C68 H57 N9 O4 S -","- C136 H114 N18 O8 S2 -","2","1","","Feng, Xin; Chen, Yating; Lei, Yunxiang; Zhou, Yunbing; Gao, Wenxia; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Multifunctional properties of a star-shaped triphenylamine-benzene-1,3,5-tricarbohydrazide fluorescent molecule containing multiple flexible chains.","Chemical communications (Cambridge, England)","2020","56","88","13638","13641","10.1039/d0cc05538g","","","0.71073","MoKα","","0.165","0.087","","","0.2001","0.2535","","","","","","1.044","","","","has coordinates","260638","2021-01-07","04:40:02",""
"7127405","8.967","0.0017","16.6","0.003","20.124","0.004","79.369","0.005","86.581","0.005","89.896","0.005","2938.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H57 N9 O4 S -","- C68 H57 N9 O4 S -","- C136 H114 N18 O8 S2 -","2","1","","Feng, Xin; Chen, Yating; Lei, Yunxiang; Zhou, Yunbing; Gao, Wenxia; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Multifunctional properties of a star-shaped triphenylamine-benzene-1,3,5-tricarbohydrazide fluorescent molecule containing multiple flexible chains.","Chemical communications (Cambridge, England)","2020","56","88","13638","13641","10.1039/d0cc05538g","","","0.71073","MoKα","","0.1919","0.1122","","","0.2699","0.3145","","","","","","1.052","","","","has coordinates","260638","2021-01-07","04:40:05",""
"7127406","17.85648","0.00015","17.85648","0.00015","16.97342","0.00015","90","","90","","120","","4686.96","0.07","150","0.1","150","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl Ge N3 Si6 -","- C18 H54 Cl Ge N3 Si6 -","- C108 H324 Cl6 Ge6 N18 Si36 -","6","0.333333","","Barrett, A. N.; Sanderson, H. J.; Mahon, M. F.; Webster, R. L.","Hydrophosphination using [GeCl{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>3</sub>] as a pre-catalyst.","Chemical communications (Cambridge, England)","2020","56","88","13623","13626","10.1039/d0cc05792d","","","1.54184","CuKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.111","","","","has coordinates","260635","2021-01-07","04:39:36",""
"7127407","5.1443","0.0006","14.4148","0.0017","14.9692","0.0016","92.88","0.003","93.257","0.003","90.232","0.003","1106.8","0.2","296.93","","296.93","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N3 O2 -","- C31 H19 N3 O2 -","- C62 H38 N6 O4 -","2","1","","Tang, Lele; Zan, Jie; Peng, Hao; Yan, Xi; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Huanhuan; Chen, Qiushui; Huang, Wei; Chen, Runfeng","X-ray excited ultralong room-temperature phosphorescence for organic afterglow scintillators.","Chemical communications (Cambridge, England)","2020","56","88","13559","13562","10.1039/d0cc05389a","","","0.71073","MoKα","","0.0721","0.0475","","","0.1054","0.1172","","","","","","1.058","","","","has coordinates","260637","2021-01-07","04:39:51",""
"7127408","43.5147","0.0008","7.94643","0.00015","20.3986","0.0003","90","","100.944","0.0015","90","","6925.3","0.2","122.99","0.13","122.99","0.13","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H72 K3 Mo6 O16.5 P3 -","- C60 H72 K3 Mo6 O16.5 P3 -","- C240 H288 K12 Mo24 O66 P12 -","4","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0515","0.0452","","","0.1144","0.1196","","","","","","1.046","","","","has coordinates,has disorder","260650","2021-01-07","04:44:51",""
"7127409","11.8625","0.0001","21.7618","0.0003","16.0909","0.0002","90","","94.017","0.001","90","","4143.65","0.08","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H61 Li O6 P4 Ta -","- C35 H61 Li O6 P4 Ta -","- C140 H244 Li4 O24 P16 Ta4 -","4","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0542","0.0503","","","0.1318","0.1366","","","","","","1.031","","","","has coordinates,has disorder","260650","2021-01-07","04:44:52",""
"7127410","19.8677","0.0004","17.9409","0.0003","27.8048","0.0006","90","","90","","90","","9910.9","0.3","122.99","0.19","122.99","0.19","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H69 N2 O4 P4 Ta -","- C42 H59.0003 N2 O3 P4 Ta -","- C336 H472.002 N16 O24 P32 Ta8 -","8","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0825","0.0772","","","0.1496","0.1519","","","","","","1.176","","","","has coordinates,has disorder","260650","2021-01-07","04:44:52",""
"7127411","12.3959","0.00015","12.3959","0.00015","13.34104","0.00013","90","","90","","120","","1775.32","0.03","293.07","0.1","293.07","0.1","","","","","","","","5","P 31","P 31","144","","","","- C23 H23 Cl2 N O6 -","- C23 H23 Cl2 N O6 -","- C69 H69 Cl6 N3 O18 -","3","1","","Xu, Huacheng; Nazli, Adila; Zou, Cheng; Wang, Zhi-Peng; He, Yun","Bench-stable imine surrogates for the one-pot and catalytic asymmetric synthesis of α-amino esters/ketones.","Chemical communications (Cambridge, England)","2020","56","91","14243","14246","10.1039/d0cc06055k","","x-ray","1.54184","CuKα","","0.055","0.0542","","","0.1472","0.1506","","","","","","1.038","","","","has coordinates","260685","2021-01-07","04:52:39",""
"7127412","3.9035","0.0004","44.025","0.006","6.0394","0.0006","90","","95.692","0.008","90","","1032.8","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C28 H16 N2 S2 -","- C28 H16 N2 S2 -","- C56 H32 N4 S4 -","2","1","","Deng, Jian; Wan, Yuejuan; Cai, Chang; Gu, Cheng; Ma, Yuguang","Organic single crystals of cyano-substituted <i>p</i>-phenylene vinylene derivatives as transistors with low surface trap density.","Chemical communications (Cambridge, England)","2020","56","89","13776","13779","10.1039/d0cc06552h","","x-ray","1.54184","CuKα","","0.1452","0.0922","","","0.2266","0.256","","","","","","1.028","","","","has coordinates","260654","2021-01-07","04:45:20",""
"7127413","3.938","0.004","5.87","0.005","18.06","0.02","80.84","0.04","87.25","0.05","86.08","0.04","410.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N S -","- C10 H6 N S -","- C20 H12 N2 S2 -","2","1","","Deng, Jian; Wan, Yuejuan; Cai, Chang; Gu, Cheng; Ma, Yuguang","Organic single crystals of cyano-substituted <i>p</i>-phenylene vinylene derivatives as transistors with low surface trap density.","Chemical communications (Cambridge, England)","2020","56","89","13776","13779","10.1039/d0cc06552h","","x-ray","0.71073","MoKα","","0.1193","0.0942","","","0.2976","0.3228","","","","","","1.206","","","","has coordinates","260654","2021-01-07","04:45:20",""
"7127414","18.6217","0.0009","9.3855","0.0004","14.7978","0.0006","90","","101.185","0.005","90","","2537.1","0.2","293","2","293","2","","","","","","","From datablock 201908210","6","C 1 2 1","C 2y","5","","","","- C23 H20 Br N3 O4 S -","- C23 H20 Br N3 O4 S -","- C92 H80 Br4 N12 O16 S4 -","4","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","","1.54184","CuKα","","0.0752","0.0545","","","0.1308","0.1691","","","","","","1.062","","","","has coordinates,has disorder","282923","2023-04-29","19:40:29",""
"7127415","11.6772","0.0005","6.3645","0.0004","15.4108","0.0007","90","","93.913","0.004","90","","1142.65","0.1","293","2","293","2","","","","","","","From datablock 201912334","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","x-ray","1.54184","CuKα","","0.0461","0.0409","","","0.1039","0.1097","","","","","","1.039","","","","has coordinates","282923","2023-04-29","19:40:29",""
"7127416","11.6772","0.0005","6.3645","0.0004","15.4108","0.0007","90","","93.913","0.004","90","","1142.65","0.1","293","2","293","2","","","","","","","From datablock 201912334_CCDC1","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","","1.54184","CuKα","","0.0461","0.0409","","","0.1039","0.1097","","","","","","1.039","","","","has coordinates","282923","2023-04-29","19:40:29",""
"7127417","18.6217","0.0009","9.3855","0.0004","14.7978","0.0006","90","","101.185","0.005","90","","2537.1","0.2","293","2","293","2","","","","","","","From datablock 201908210_CCDC1","6","C 1 2 1","C 2y","5","","","","- C23 H20 Br N3 O4 S -","- C23 H20 Br N3 O4 S -","- C92 H80 Br4 N12 O16 S4 -","4","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","x-ray","1.54184","CuKα","","0.0752","0.0545","","","0.1308","0.1691","","","","","","1.062","","","","has coordinates,has disorder","282923","2023-04-29","19:40:29",""
"7127418","18.6944","0.0003","5.0904","0.0001","15.1667","0.0002","90","","90","","90","","1443.29","0.04","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C72 H52 N20 -","4","1","","Zhang, Chunyan; Liang, Zuyu; Jia, Xiaofei; Wang, Maorong; Zhang, Guoying; Hu, Mao-Lin","A practical base mediated synthesis of 1,2,4-triazoles enabled by a deamination annulation strategy.","Chemical communications (Cambridge, England)","2020","56","91","14215","14218","10.1039/d0cc05828a","","x-ray","1.54184","CuKα","","0.0349","0.0345","","","0.0924","0.0927","","","","","","1.035","","","","has coordinates","260681","2021-01-07","04:51:48",""
"7127419","8.2772","0.0005","8.0905","0.0004","35.589","0.002","90","","90","","90","","2383.3","0.2","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H18 Br7 Cs N2 Pb2 -","- C6 H18 Br7 Cs N2 Pb2 -","- C24 H72 Br28 Cs4 N8 Pb8 -","4","1","","Fu, Dongying; Wu, Shichao; Xin, Jianli; Zhang, Xinyuan; Han, Gaoyi; Zhang, Xian-Ming","Polar CsPbBr<sub>3</sub>-based Dion-Jacobson hybrid for promising UV photodetection.","Chemical communications (Cambridge, England)","2020","56","92","14381","14384","10.1039/d0cc05679k","","","0.71073","MoKα","","0.0847","0.0401","","","0.0794","0.0965","","","","","","0.996","","","","has coordinates","260679","2021-01-07","04:51:30",""
"7127420","14.3007","0.0007","17.1091","0.0005","18.9641","0.0007","88.689","0.003","83.151","0.003","70.462","0.004","4340.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H49 Gd3 N8 O37 -","- C75 H49 Gd3 N8 O37 -","- C150 H98 Gd6 N16 O74 -","2","1","","Li, Pei-Xin; Xie, Zhi-Xin; Jin, Ai-Ping; Li, Jing; Guo, Guo-Cong","A new photochromic Gd-MOF with photoswitchable bluish-white to greenish-yellow emission based on electron transfer.","Chemical communications (Cambridge, England)","2020","56","93","14689","14692","10.1039/d0cc06019d","","","0.71073","MoKα","","0.109","0.067","","","0.1845","0.2153","","","","","","1.033","","","","has coordinates","260627","2021-01-07","04:37:20",""
"7127421","8.0723","0.0004","17.6758","0.0007","11.6674","0.0006","90","","93.046","0.005","90","","1662.4","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C72 H64 N8 O24 -","4","1","","Li, Pei-Xin; Xie, Zhi-Xin; Jin, Ai-Ping; Li, Jing; Guo, Guo-Cong","A new photochromic Gd-MOF with photoswitchable bluish-white to greenish-yellow emission based on electron transfer.","Chemical communications (Cambridge, England)","2020","56","93","14689","14692","10.1039/d0cc06019d","","x-ray","0.71073","MoKα","","0.0698","0.0555","","","0.1594","0.1669","","","","","","1.255","","","","has coordinates","260627","2021-01-07","04:37:20",""
"7127422","11.496","0.0002","18.413","0.0003","14.671","0.0003","90","","106.665","0.002","90","","2975.06","0.1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 Ge N2 P2 Pd -","- C25 H42 Cl2 Ge N2 P2 Pd -","- C100 H168 Cl8 Ge4 N8 P8 Pd4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","A Z-type PGeP pincer germylene ligand in a T-shaped palladium(0) complex.","Chemical communications (Cambridge, England)","2020","56","90","14095","14097","10.1039/d0cc06614a","","","1.5418","CuKα","","0.0392","0.0363","","","0.0957","0.0998","","","","","","1.03","","","","has coordinates","260659","2021-01-07","04:46:20",""
"7127423","17.5001","0.0004","12.1142","0.0002","18.945","0.0004","90","","114.67","0.001","90","","3649.75","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 Ge N2 P2 Pd S2 -","- C37 H52 Ge N2 P2 Pd S2 -","- C148 H208 Ge4 N8 P8 Pd4 S8 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","A Z-type PGeP pincer germylene ligand in a T-shaped palladium(0) complex.","Chemical communications (Cambridge, England)","2020","56","90","14095","14097","10.1039/d0cc06614a","","","1.54178","CuKα","","0.019","0.0178","","","0.041","0.0418","","","","","","1.068","","","","has coordinates","260659","2021-01-07","04:46:23",""
"7127424","11.603","0.001","13.398","0.002","19.749","0.003","90.788","0.006","105.517","0.007","113.557","0.007","2686.3","0.6","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H37 Cl15 K N O6 -","- C41.5 H37 Cl15 K N O6 -","- C83 H74 Cl30 K2 N2 O12 -","2","1","","Mayorga-Burrezo, Paula; Sporer, Christian; de Sousa, J. Alejandro; Capra, Nicola; Wurst, Klaus; Crivillers, Núria; Veciana, Jaume; Rovira, Concepció","Electrocatalytic oxidative Z/E isomerization of a stilbene favoured by the presence of an electroactive persistent radical.","Chemical communications (Cambridge, England)","2020","56","91","14211","14214","10.1039/d0cc04973e","","","0.71073","MoKα","","0.142","0.0846","","","0.1506","0.1685","","","","","","1.134","","","","has coordinates","260683","2021-01-07","04:52:10",""
"7127425","9.0495","0.0009","11.3463","0.0011","13.2051","0.0012","84.652","0.002","76.728","0.001","75.775","0.001","1278.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 F2 N O -","- C32 H20 F2 N2 O -","- C64 H40 F4 N4 O2 -","2","1","","Gao, Yuan; Zhang, Mengfan; Wang, Chaoyu; Yang, Zhen; Huang, Xianqiang; Feng, Ruokun; Qi, Chenze","Cobalt(ii)-catalyzed hydroarylation of 1,3-diynes and internal alkynes with picolinamides promoted by alcohol.","Chemical communications (Cambridge, England)","2020","56","91","14231","14234","10.1039/d0cc05616b","","","0.71073","MoKα","","0.1182","0.059","","","0.1544","0.1926","","","","","","0.935","","","","has coordinates","260684","2021-01-07","04:52:20",""
"7127426","13.51","0.0011","9.6529","0.0008","17.2677","0.0015","90","","95.515","0.001","90","","2241.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl N2 O3 -","- C27 H21 Cl N2 O3 -","- C108 H84 Cl4 N8 O12 -","4","1","","Gao, Yuan; Zhang, Mengfan; Wang, Chaoyu; Yang, Zhen; Huang, Xianqiang; Feng, Ruokun; Qi, Chenze","Cobalt(ii)-catalyzed hydroarylation of 1,3-diynes and internal alkynes with picolinamides promoted by alcohol.","Chemical communications (Cambridge, England)","2020","56","91","14231","14234","10.1039/d0cc05616b","","","0.71073","MoKα","","0.0655","0.0374","","","0.0915","0.1063","","","","","","1.012","","","","has coordinates,has disorder","260684","2021-01-07","04:52:30",""
"7127427","10.6041","0.0011","18.1154","0.0019","13.0961","0.0016","90","","104.601","0.003","90","","2434.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 N2 O -","- C32 H21 N2 O -","- C128 H84 N8 O4 -","4","1","","Gao, Yuan; Zhang, Mengfan; Wang, Chaoyu; Yang, Zhen; Huang, Xianqiang; Feng, Ruokun; Qi, Chenze","Cobalt(ii)-catalyzed hydroarylation of 1,3-diynes and internal alkynes with picolinamides promoted by alcohol.","Chemical communications (Cambridge, England)","2020","56","91","14231","14234","10.1039/d0cc05616b","","","0.71073","MoKα","","0.1572","0.0635","","","0.1523","0.1926","","","","","","1.038","","","","has coordinates","260684","2021-01-07","04:52:30",""
"7127428","9.9502","0.0007","11.9913","0.0007","14.0968","0.001","113.915","0.006","96.434","0.006","93.254","0.005","1518.19","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N2 O5 S -","- C31 H26 N2 O5 S -","- C62 H52 N4 O10 S2 -","2","1","","Fang, Qing-Yun; Zhao, Li-Ming","A [4+3] annulation of benzofuran-derived azadienes and α-bromohydroxamates for the synthesis of benzofuran-fused 1,4-diazepinones.","Chemical communications (Cambridge, England)","2020","56","90","14079","14082","10.1039/d0cc06061e","","x-ray","0.71073","MoKα","","0.0846","0.0677","","","0.1935","0.2084","","","","","","1.048","","","","has coordinates","260658","2021-01-07","04:46:10",""
"7127429","20.399","0.0012","20.399","0.0012","14.7613","0.0009","90","","90","","120","","5319.5","0.5","298","","298","","","","","","","","","6","P 65","P 65","170","","C2","","- C22 H36 Cl2 Co2 N10 O8 -","- C22 H36 Cl2 Co2 N10 O8 -","- C132 H216 Cl12 Co12 N60 O48 -","6","1","","Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab","Probing the peripheral role of amines in photo- and electrocatalytic H<sub>2</sub> production by molecular cobalt complexes.","Chemical communications (Cambridge, England)","2020","56","94","14841","14844","10.1039/d0cc05786j","","","0.71073","MoKα","","0.0322","0.03","","","0.0863","0.0881","","","","","","0.9919","","","","has coordinates","259358","2020-12-01","01:45:37",""
"7127430","23.699","0.003","16.6746","0.0019","10.1581","0.0012","90","","101.153","0.003","90","","3938.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Li2 N5 O13 -","- C36 H20 Li2 O12 -","- C144 H80 Li8 O48 -","4","0.5","","Nath, Karabi; Bin Rahaman, Abdulla; Moi, Rajib; Maity, Kartik; Biradha, Kumar","Porous Li-MOF as a solid-state electrolyte: exploration of lithium ion conductivity through bio-inspired ionic channels.","Chemical communications (Cambridge, England)","2020","56","94","14873","14876","10.1039/d0cc05728b","","","0.71073","MoKα","","0.09","0.0691","","","0.1995","0.2168","","","","","","1.078","","","","has coordinates","259359","2020-12-01","01:46:21",""
"7127431","21.9","0.03","16.99","0.02","9.436","0.014","90","","109.177","0.005","90","","3316","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Li2 N2 O12 -","- C34 H24 Li2 N2 O12.5 -","- C136 H96 Li8 N8 O50 -","4","0.5","","Nath, Karabi; Bin Rahaman, Abdulla; Moi, Rajib; Maity, Kartik; Biradha, Kumar","Porous Li-MOF as a solid-state electrolyte: exploration of lithium ion conductivity through bio-inspired ionic channels.","Chemical communications (Cambridge, England)","2020","56","94","14873","14876","10.1039/d0cc05728b","","","0.71073","MoKα","","0.1251","0.0679","","","0.1893","0.2294","","","","","","0.976","","","","has coordinates","259359","2020-12-01","01:46:22",""
"7127434","22.2922","0.0015","13.8681","0.0009","14.6786","0.0009","90","","107.043","0.002","90","","4338.6","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H47 B Ir N3 O0.25 -","- C52 H55 B Ir N4 O -","- C208 H220 B4 Ir4 N16 O4 -","4","1","","Pham, Pierce; Hilty, Christian","Tunable iridium catalyst designs with bidentate N-heterocyclic carbene ligands for SABRE hyperpolarization of sterically hindered substrates.","Chemical communications (Cambridge, England)","2020","56","98","15466","15469","10.1039/d0cc06840c","","","0.71073","MoKα","","0.0376","0.0271","","","0.0579","0.063","","","","","","1.089","","","","has coordinates","260649","2021-01-07","04:44:32",""
"7127451","15.0698","0.0006","17.9944","0.0004","5.03671","0.00008","90","","90","","90","","1365.81","0.07","298","","298","","","","","","","","","3","P 21 21 2","P 2 2ab","18","GAM-3","","","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","1","0.25","","Komura, Kenichi; Aoki, Hisakazu; Tanaka, Kentaro; Ikeda, Takuji","GAM-3: a zeolite formed from AlPO<sub>4</sub>-5 <i>via</i> multistep structural changes.","Chemical communications (Cambridge, England)","2020","56","94","14901","14904","10.1039/d0cc06086k","powder diffraction","","1.54059","CuKα~1~","","0.00938","","","","","","0.0091","0.01668","2.4079","","","","","","","has coordinates","259364","2020-12-01","01:50:06",""
"7127452","16.7631","0.0002","17.4946","0.0002","4.97975","0.00004","90","","90","","90","","1460.38","0.03","298","","298","","","","","","","","","6","P 21 21 2","P 2 2ab","18","GAM-2","","","- C4 H9 Al3 N O12.75 P3 -","- C4 H9 Al3 N O12.75 P3 -","- C16 H36 Al12 N4 O51 P12 -","4","1","","Komura, Kenichi; Aoki, Hisakazu; Tanaka, Kentaro; Ikeda, Takuji","GAM-3: a zeolite formed from AlPO<sub>4</sub>-5 <i>via</i> multistep structural changes.","Chemical communications (Cambridge, England)","2020","56","94","14901","14904","10.1039/d0cc06086k","powder diffraction","","1.54059","CuKα~1~","","0.03008","","","","","","0.03186","0.04037","1.3512","","","","","","","has coordinates","259364","2020-12-01","01:50:09",""
"7127455","7.5891","0.0002","10.1094","0.0003","20.3877","0.0006","95.642","0.001","97.677","0.001","104.552","0.001","1486.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","2","","Marques, Carolina S.; Cruz, Hugo; Lawrence, Simon E.; Gago, Sandra; Prates Ramalho, João P; Morgado, Jorge; Branco, Luís C; Burke, Anthony J.","Ambipolar pentacyclic diamides with interesting electrochemical and optoelectronic properties.","Chemical communications (Cambridge, England)","2020","56","94","14893","14896","10.1039/d0cc04629a","","","1.54178","CuKα","","0.0352","0.0341","","","0.0887","0.0898","","","","","","1.05","","","","has coordinates","259366","2020-12-01","01:51:23",""
"7127456","10.574","0.002","10.8402","0.0014","12.7623","0.0014","70.58","0.03","82.1","0.03","86.46","0.04","1366.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 B O3 Se -","- C30 H35 B O3 Se -","- C60 H70 B2 O6 Se2 -","2","1","","Mizoguchi, Haruki; Seriu, Masaya; Sakakura, Akira","Synthesis of functionalized cyclopropylboronic esters based on a 1,2-metallate rearrangement of cyclopropenylboronate.","Chemical communications (Cambridge, England)","2020","56","99","15545","15548","10.1039/d0cc07134j","","","0.71075","MoKα","","0.0739","0.0589","","","0.1563","0.1937","","","","","","1.12","","","","has coordinates","260630","2021-01-07","04:38:18",""
"7127461","21.7528","0.0003","51.3282","0.0005","22.4375","0.0003","90","","113.392","0.0017","90","","22993.2","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H86 N4 O4 Pt2 -","- C42.6667 N2.13333 O2.63333 Pt1.06667 -","- C640 N32 O39.5 Pt16 -","15","7.5","","Inoue, Ryo; Kondo, Riki; Morisaki, Yasuhiro","Experimental and theoretical studies on circularly polarized phosphorescence of a [2.2]paracyclophane-based platinum(ii) complex.","Chemical communications (Cambridge, England)","2020","56","98","15438","15441","10.1039/d0cc06205g","","x-ray","0.71073","MoKα","","0.0983","0.0619","","","0.1705","0.1907","","","","","","0.879","","","","has coordinates,has disorder","260648","2021-01-07","04:44:24",""
"7127462","10.2748","0.0004","14.2248","0.0003","10.9525","0.0003","90","","115.5","0.004","90","","1444.84","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C66 H74 N2 O10 -","2","1","","Xiang, Min; Li, Chen-Yi; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","Organocatalytic and enantioselective [4+2] cyclization between hydroxymaleimides and <i>ortho</i>-hydroxyphenyl <i>para</i>-quinone methide-selective preparation of chiral hemiketals.","Chemical communications (Cambridge, England)","2020","56","94","14825","14828","10.1039/d0cc06777f","","x-ray","1.54184","CuKα","","0.0486","0.0436","","","0.1149","0.1214","","","","","","1.049","","","","has coordinates","259370","2020-12-01","01:54:11",""
"7127463","10.538","0.0006","12.9179","0.001","13.0658","0.0009","98.879","0.006","105.364","0.006","95.484","0.006","1677","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cl3 N O5 -","- C34 H38 Cl3 N O5 -","- C68 H76 Cl6 N2 O10 -","2","1","","Xiang, Min; Li, Chen-Yi; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","Organocatalytic and enantioselective [4+2] cyclization between hydroxymaleimides and <i>ortho</i>-hydroxyphenyl <i>para</i>-quinone methide-selective preparation of chiral hemiketals.","Chemical communications (Cambridge, England)","2020","56","94","14825","14828","10.1039/d0cc06777f","","x-ray","1.54184","CuKα","","0.0934","0.0716","","","0.1933","0.2204","","","","","","1.039","","","","has coordinates,has disorder","259370","2020-12-01","01:54:15",""
"7127464","6.0435","0.0005","7.958","0.0006","13.3572","0.0011","75.36","0.002","83.114","0.002","77.584","0.002","605.55","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Wang, Ali; Xie, Xin; Zhang, Chunli; Liu, Yuanhong","Gold/Lewis acid catalyzed oxidative cyclization involving activation of nitriles.","Chemical communications (Cambridge, England)","2020","56","99","15581","15584","10.1039/d0cc06875f","","","0.71073","MoKα","","0.0447","0.0389","","","0.1049","0.1117","","","","","","1.043","","","","has coordinates","260629","2021-01-07","04:38:11",""
"7127465","15.5206","0.0007","10.7027","0.0004","7.9095","0.0003","90","","90.741","0.001","90","","1313.76","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Wang, Ali; Xie, Xin; Zhang, Chunli; Liu, Yuanhong","Gold/Lewis acid catalyzed oxidative cyclization involving activation of nitriles.","Chemical communications (Cambridge, England)","2020","56","99","15581","15584","10.1039/d0cc06875f","","","0.71073","MoKα","","0.0561","0.0447","","","0.1166","0.1264","","","","","","1.035","","","","has coordinates","260629","2021-01-07","04:38:12",""
"7127466","16.21","0.0008","5.463","0.0003","30.5412","0.0019","90","","90","","90","","2704.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C120 H88 N8 O24 S8 -","8","2","","Wang, Ali; Xie, Xin; Zhang, Chunli; Liu, Yuanhong","Gold/Lewis acid catalyzed oxidative cyclization involving activation of nitriles.","Chemical communications (Cambridge, England)","2020","56","99","15581","15584","10.1039/d0cc06875f","","","0.71073","MoKα","","0.0658","0.0549","","","0.1571","0.1718","","","","","","1.051","","","","has coordinates","260629","2021-01-07","04:38:12",""
"7127467","12.757","0.003","14.616","0.003","24.915","0.005","73.84","0.03","86.54","0.03","79.7","0.03","4389.8","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H132 Cs7.5 Dy4 K0.5 O180 P8 W32 -","- C21.48 H17.48 Cs7.4722 Dy4 K0.5 O161 P8 W32 -","- C21.48 H17.48 Cs7.4722 Dy4 K0.5 O161 P8 W32 -","1","0.5","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","Polyoxometalates with separate lacuna sites.","Chemical communications (Cambridge, England)","2020","56","94","14857","14860","10.1039/d0cc05791f","","","0.71073","MoKα","","0.1357","0.087","","","0.2206","0.2469","","","","","","0.994","","","","has coordinates,has disorder","259372","2020-12-01","01:55:46",""
"7127468","12.902","0.003","14.649","0.003","24.956","0.005","73.56","0.03","86.69","0.03","79.61","0.03","4449.6","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H128 Cs7.5 K0.5 O178 P8 W32 Y4 -","- C20.592 H15.74 Cs6.9702 K0.5 O157.18 P8 W32 Y4 -","- C20.592 H15.74 Cs6.9702 K0.5 O157.18 P8 W32 Y4 -","1","0.5","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","Polyoxometalates with separate lacuna sites.","Chemical communications (Cambridge, England)","2020","56","94","14857","14860","10.1039/d0cc05791f","","","0.71073","MoKα","","0.1434","0.0815","","","0.1959","0.2201","","","","","","1.014","","","","has coordinates,has disorder","259372","2020-12-01","01:55:47",""
"7127469","11.29","0.009","17.502","0.013","16.876","0.013","90","","96.935","0.009","90","","3310","4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 Al N3 Ni P3 -","- C30 H51 Al N3 Ni P3 -","- C120 H204 Al4 N12 Ni4 P12 -","4","1","","Lai, Qingheng; Cosio, Mario N.; Ozerov, Oleg V.","Ni complexes of an alane/tris(phosphine) ligand built around a strongly Lewis acidic tris(<i>N</i>-pyrrolyl)aluminum.","Chemical communications (Cambridge, England)","2020","56","94","14845","14848","10.1039/d0cc05452f","","","0.71073","MoKα","","0.0307","0.0267","","","0.068","0.07","","","","","","1.069","","","","has coordinates","259373","2020-12-01","01:56:15",""
"7127470","8.7927","0.0004","13.0246","0.0005","19.6787","0.0009","90","","90","","90","","2253.63","0.17","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 B F2 N2 O2 S -","- C24 H21 B F2 N2 O2 S -","- C96 H84 B4 F8 N8 O8 S4 -","4","1","","Lv, Fan; Guo, Xing; Wu, Hao; Li, Heng; Tang, Bing; Yu, Changjiang; Hao, Erhong; Jiao, Lijuan","Direct sulfonylation of BODIPY dyes with sodium sulfinates through oxidative radical hydrogen substitution at the α-position.","Chemical communications (Cambridge, England)","2020","56","99","15577","15580","10.1039/d0cc07259a","","","0.71073","MoKα","","0.0366","0.034","","","0.0911","0.0949","","","","","","1.062","","","","has coordinates","260628","2021-01-07","04:38:02",""
"7127472","10.7764","0.0004","8.4814","0.0003","15.9946","0.0007","90","","97.431","0.002","90","","1449.61","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Mayakrishnan, Sivakalai; Tamizmani, Masilamani; Maheswari, Naryanan Uma","Harnessing hypervalent iodonium ylides as carbene precursors: C-H activation of N-methoxybenzamides with a Rh(iii)-catalyst.","Chemical communications (Cambridge, England)","2020","56","98","15462","15465","10.1039/d0cc06038k","","","0.71073","MoKα","","0.063","0.0467","","","0.1194","0.1343","","","","","","1.009","","","","has coordinates","260646","2021-01-07","04:42:06",""
"7127473","9.9039","0.0003","11.0962","0.0003","11.7769","0.0004","87.0152","0.0014","68.9253","0.0012","88.648","0.0013","1206.01","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C62 H54 N2 O8 -","2","1","","Mayakrishnan, Sivakalai; Tamizmani, Masilamani; Maheswari, Naryanan Uma","Harnessing hypervalent iodonium ylides as carbene precursors: C-H activation of N-methoxybenzamides with a Rh(iii)-catalyst.","Chemical communications (Cambridge, England)","2020","56","98","15462","15465","10.1039/d0cc06038k","","","0.71073","MoKα","","0.054","0.039","","","0.1","0.1139","","","","","","1.033","","","","has coordinates","260646","2021-01-07","04:42:06",""
"7127475","28.4265","0.0007","27.2114","0.0009","10.4341","0.0003","90","","90","","90","","8071","0.4","109","13","109","13","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C88.19 H116.39 La Na3 O13.05 -","- C88.196 H116.392 La Na3 O13.049 -","- C352.784 H465.568 La4 Na12 O52.196 -","4","1","","Deng, Min; Schley, Nathan D.; Ung, Gaël","High circularly polarized luminescence brightness from analogues of Shibasaki's lanthanide complexes.","Chemical communications (Cambridge, England)","2020","56","94","14813","14816","10.1039/d0cc06568d","","x-ray","0.71073","MoKα","","0.0805","0.0633","","","0.1235","0.131","","","","","","1.099","","","","has coordinates,has disorder","259378","2020-12-01","01:59:22",""
"7127476","14.168","0.015","18.79","0.02","19.86","0.02","105.16","0.03","97.23","0.03","104.28","0.03","4842","9","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H120 K La N4 O6 P4 -","- C80 H120 K La N4 O6 P4 -","- C160 H240 K2 La2 N8 O12 P8 -","2","1","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.2041","0.0981","","","0.2147","0.2883","","","","","","0.959","","","","has coordinates","260647","2021-01-07","04:44:08",""
"7127477","13.3178","0.0009","25.2864","0.0017","25.5213","0.0017","116.117","0.002","98.326","0.002","99.911","0.002","7361.7","0.9","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C130 H192 K2 La2 N4 O14 P4 -","- C130 H192 K2 La2 N4 O14 P4 -","- C260 H384 K4 La4 N8 O28 P8 -","2","1","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.0824","0.0518","","","0.1182","0.1437","","","","","","1.084","","","","has coordinates","260647","2021-01-07","04:44:08",""
"7127478","12.75","0.0008","15.9812","0.0008","21.2031","0.0014","105.285","0.002","94.133","0.003","109.532","0.003","3866.2","0.4","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C71 H109 K La N4 O6 P3 -","- C71 H109 K La N4 O6 P3 -","- C142 H218 K2 La2 N8 O12 P6 -","2","1","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.0367","0.0303","","","0.0814","0.0861","","","","","","1.097","","","","has coordinates","260647","2021-01-07","04:44:08",""
"7127479","14.0506","0.0008","14.3744","0.0008","18.1614","0.001","99.417","0.002","90.617","0.002","91.294","0.002","3617.3","0.4","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H204 K2 La2 N4 O13 P6 -","- C134 H204 K2 La2 N4 O13 P6 -","- C134 H204 K2 La2 N4 O13 P6 -","1","0.5","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.04","0.0326","","","0.0906","0.0979","","","","","","1.11","","","","has coordinates,has disorder","260647","2021-01-07","04:44:08",""
"7127480","47.491","0.002","18.5114","0.001","27.2738","0.0013","90","","90","","90","","23977","2","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C112 H72.53 Cd3 Cl1.47 N24 O0.53 -","- C112 H72.53 Cd3 Cl1.47 N24 O0.53 -","- C896 H580.24 Cd24 Cl11.76 N192 O4.24 -","8","0.5","","Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian","Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","94","14817","14820","10.1039/d0cc06092e","","","0.77485","synchrotron","","0.125","0.0895","","","0.1785","0.1919","","","","","","1.076","","","","has coordinates,has disorder","259380","2020-12-01","02:03:48",""
"7127481","47.7736","0.0013","18.5513","0.0005","27.2877","0.0008","90","","90","","90","","24184.1","1.2","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C112 H74.8 Br1.2 Cd3 N24 O0.8 -","- C112 H74.799 Br1.201 Cd3 N24 O0.799 -","- C896 H598.392 Br9.608 Cd24 N192 O6.392 -","8","0.5","","Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian","Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","94","14817","14820","10.1039/d0cc06092e","","","0.77485","synchrotron","","0.067","0.0625","","","0.1729","0.1785","","","","","","1.04","","","","has coordinates,has disorder","259380","2020-12-01","02:03:49",""
"7127482","6.352","0.0001","8.2274","0.0001","33.0348","0.0006","90","","91.298","0.001","90","","1725.97","0.05","100","0.1","100.2","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F6 N3 P -","- C17 H18 F6 N3 P -","- C68 H72 F24 N12 P4 -","4","1","","OwYong, Tze Cin; Ding, Siyang; Wu, Na; Fellowes, Thomas; Chen, Sijie; White, Jonathan M.; Wong, Wallace W. H.; Hong, Yuning","Optimising molecular rotors to AIE fluorophores for mitochondria uptake and retention.","Chemical communications (Cambridge, England)","2020","56","94","14853","14856","10.1039/d0cc06411d","","x-ray","0.71073","MoKα","","0.0736","0.0459","","","0.1353","0.1504","","","","","","1.086","","","","has coordinates","259381","2020-12-01","02:04:43",""
"7127483","30.1428","0.0006","6.1951","0.0001","23.4009","0.0004","90","","93.329","0.002","90","","4362.46","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 F6 N3 P -","- C23 H22 F6 N3 P -","- C184 H176 F48 N24 P8 -","8","1","","OwYong, Tze Cin; Ding, Siyang; Wu, Na; Fellowes, Thomas; Chen, Sijie; White, Jonathan M.; Wong, Wallace W. H.; Hong, Yuning","Optimising molecular rotors to AIE fluorophores for mitochondria uptake and retention.","Chemical communications (Cambridge, England)","2020","56","94","14853","14856","10.1039/d0cc06411d","","x-ray","1.54184","CuKα","","0.1046","0.1012","","","0.2844","0.2856","","","","","","1.116","","","","has coordinates","259381","2020-12-01","02:04:43",""
"7127484","8.80384","0.00016","9.18711","0.00017","30.3074","0.0006","90","","96.5951","0.001","90","","2435.1","0.08","93","2","93","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C70 H56 -","- C70 H56 -","- C140 H112 -","2","0.5","","Kitamura, Kei; Kudo, Ryoji; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki","Isoacenofuran: a novel quinoidal building block for efficient access to high-ordered polyacene derivatives.","Chemical communications (Cambridge, England)","2020","56","95","14988","14991","10.1039/d0cc06620f","","","1.54186","CuKα","","0.1527","0.0887","","","0.2264","0.2787","","","","","","0.994","","","","has coordinates","259642","2020-12-08","01:54:14",""
"7127485","8.30435","0.00019","23.1463","0.0004","9.755","0.0002","90","","108.672","0.003","90","","1776.37","0.07","296.75","0.18","296.75","0.18","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O2 -","- C25 H16 O2 -","- C100 H64 O8 -","4","1","","Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong","Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.","Chemical communications (Cambridge, England)","2020","56","95","15080","15083","10.1039/d0cc06997c","","x-ray","1.54184","CuKα","","0.0569","0.0512","","","0.1407","0.1484","","","","","","1.028","","","","has coordinates","259643","2020-12-08","01:55:10",""
"7127486","16.353","0.0005","13.2053","0.0003","20.2472","0.0007","90","","100.35","0.003","90","","4301.2","0.2","296.4","0.7","296.4","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H34 B F4 N O -","- C53 H34 B F4 N O -","- C212 H136 B4 F16 N4 O4 -","4","1","","Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong","Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.","Chemical communications (Cambridge, England)","2020","56","95","15080","15083","10.1039/d0cc06997c","","x-ray","1.54184","CuKα","","0.092","0.0768","","","0.2365","0.2564","","","","","","1.102","","","","has coordinates","259643","2020-12-08","01:55:11",""
"7127487","19.1081","0.0004","19.1081","0.0004","24.3996","0.0006","90","","90","","90","","8908.8","0.3","150","","150","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C53.5 H34 B0.5 Cl F2 O2 -","- C53.5 H34 B0.5 Cl F2 O2 -","- C428 H272 B4 Cl8 F16 O16 -","8","1","","Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong","Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.","Chemical communications (Cambridge, England)","2020","56","95","15080","15083","10.1039/d0cc06997c","","x-ray","1.54184","CuKα","","0.1186","0.0899","","","0.2573","0.2869","","","","","","1.042","","","","has coordinates","259643","2020-12-08","01:55:11",""
"7127488","18.3148","0.0003","7.58","0.0001","27.7096","0.0005","90","","90","","90","","3846.82","0.11","292.9","0.1","292.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cyx","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C184 H144 Cl8 N24 O8 -","8","1","","Cui, Yixin; Bai, Dachang; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rh(iii)-Catalyzed acylation of heteroarenes with cyclobutenones via C-H/C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","100","15631","15634","10.1039/d0cc05965j","","x-ray","1.54184","CuKα","","0.092","0.0869","","","0.2393","0.2446","","","","","","1.0363","","","","has coordinates","260703","2021-01-07","04:56:56",""
"7127489","13.861","0.002","13.3307","0.0019","20.858","0.003","90","","98.406","0.003","90","","3812.7","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 Si6 -","- C34 H64 Si6 -","- C136 H256 Si24 -","4","0.5","","Ishida, Shintaro; Sugawara, Shohei; Honda, Shunya; Iwamoto, Takeaki","Naphtho- and anthra-disilacyclobutadienes.","Chemical communications (Cambridge, England)","2020","56","95","15072","15075","10.1039/d0cc06603f","","","0.71073","MoKα","","0.0422","0.037","","","0.0982","0.1026","","","","","","1.098","","","","has coordinates","259645","2020-12-08","01:57:48",""
"7127490","12.95","0.0006","13.4087","0.0007","14.2041","0.0007","92.261","0.001","101.164","0.001","100.116","0.001","2375.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H74 Si6 -","- C45 H74 Si6 -","- C90 H148 Si12 -","2","1","","Ishida, Shintaro; Sugawara, Shohei; Honda, Shunya; Iwamoto, Takeaki","Naphtho- and anthra-disilacyclobutadienes.","Chemical communications (Cambridge, England)","2020","56","95","15072","15075","10.1039/d0cc06603f","","","0.71073","MoKα","","0.0389","0.0331","","","0.0846","0.0891","","","","","","1.041","","","","has coordinates","259645","2020-12-08","01:57:49",""
"7127494","19.844","0.007","19.844","0.007","19.496","0.009","90","","90","","120","","6649","5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Mn7 Rb6 Se44 Yb23 -","- Cl Mn7.00002 Rb6 Se44 Yb23 -","- Cl3 Mn21.0001 Rb18 Se132 Yb68.9999 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0319","0.0306","","","0.085","0.0861","","","","","","1.097","","","","has coordinates,has disorder","259661","2020-12-09","01:45:57",""
"7127495","19.948","0.0006","19.948","0.0006","19.5948","0.0011","90","","90","","120","","6752.6","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Er23 Mn7 Rb6 Se44 -","- Cl Er23 Mn6.99996 Rb6 Se44 -","- Cl3 Er69.0001 Mn20.9999 Rb18 Se132 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0315","0.0291","","","0.0747","0.0766","","","","","","1.067","","","","has coordinates,has disorder","259661","2020-12-09","01:45:58",""
"7127496","20.0423","0.0004","20.0423","0.0004","19.6668","0.0008","90","","90","","120","","6841.6","0.3","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Ho23 Mn7 Rb6 Se44 -","- Cl Ho23 Mn7.00002 Rb6 Se44 -","- Cl3 Ho68.9999 Mn21.0001 Rb18 Se132 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0366","0.0334","","","0.0719","0.0734","","","","","","1.022","","","","has coordinates,has disorder","259661","2020-12-09","01:45:58",""
"7127497","19.9137","0.0013","19.9137","0.0013","19.547","0.002","90","","90","","120","","6713","0.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Mn7 Rb6 Se44 Tm23 -","- Cl Mn7.00002 Rb6 Se44 Tm23 -","- Cl3 Mn21.0001 Rb18 Se132 Tm68.9999 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0481","0.0431","","","0.1012","0.1045","","","","","","1.088","","","","has coordinates,has disorder","259661","2020-12-09","01:45:58",""
"7127498","10.5434","0.0007","12.209","0.0008","12.9764","0.0009","89.428","0.002","77.02","0.002","75.639","0.002","1574.99","0.18","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H35 N O5 -","- C38 H35 N O5 -","- C76 H70 N2 O10 -","2","1","","Kumar, Krishna; Singh, Bhuvnesh; Singh, Ravi P.","A silver-catalyzed stereoselective domino cycloisomerization-vinylogous aldol reaction of <i>ortho</i>-alkynylbenzaldehydes with 3-alkylidene oxindoles: an entry to functionalized isochromenes.","Chemical communications (Cambridge, England)","2020","56","96","15153","15156","10.1039/d0cc06273a","","","0.71073","MoKα","","0.1151","0.0626","","","0.1645","0.202","","","","","","0.924","","","","has coordinates","259662","2020-12-09","01:47:10",""
"7127499","15.1432","0.0006","12.4911","0.0005","16.2178","0.0006","90","","104.238","0.001","90","","2973.4","0.2","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N O4 -","- C37 H33 N O4 -","- C148 H132 N4 O16 -","4","1","","Kumar, Krishna; Singh, Bhuvnesh; Singh, Ravi P.","A silver-catalyzed stereoselective domino cycloisomerization-vinylogous aldol reaction of <i>ortho</i>-alkynylbenzaldehydes with 3-alkylidene oxindoles: an entry to functionalized isochromenes.","Chemical communications (Cambridge, England)","2020","56","96","15153","15156","10.1039/d0cc06273a","","","0.71073","MoKα","","0.1402","0.057","","","0.1417","0.182","","","","","","0.939","","","","has coordinates","259662","2020-12-09","01:47:11",""
"7127500","18.0184","0.0006","12.0638","0.0004","19.2753","0.0006","90","","115.96","0.0003","90","","3767.1","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Bi N P2 Pt -","- C36 H56 Bi N P2 Pt -","- C144 H224 Bi4 N4 P8 Pt4 -","4","1","","Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato","Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt<sub>3</sub>)<sub>3</sub> with cyclic organobismuth compounds.","Chemical communications (Cambridge, England)","2020","56","96","15216","15219","10.1039/d0cc07408j","","","0.71069","MoKα","","0.0244","0.0182","","","0.0352","0.0364","","","","","","1.104","","","","has coordinates","259664","2020-12-09","01:48:08",""
"7127501","12.278","0.002","14.7178","0.0006","18.1372","0.0007","90","","91.378","0.004","90","","3276.5","0.6","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 Bi Cl N P2 Pt -","- C30 H51 Bi Cl N P2 Pt -","- C120 H204 Bi4 Cl4 N4 P8 Pt4 -","4","1","","Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato","Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt<sub>3</sub>)<sub>3</sub> with cyclic organobismuth compounds.","Chemical communications (Cambridge, England)","2020","56","96","15216","15219","10.1039/d0cc07408j","","x-ray","0.71073","MoKα","","0.1784","0.0755","","","0.1419","0.1577","","","","","","0.901","","","","has coordinates,has disorder","259664","2020-12-09","01:48:08",""
"7127502","12.8505","0.0004","13.1916","0.0004","21.3892","0.0007","90","","94.966","0.0004","90","","3612.3","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 Bi Cl3 N P2 Pt -","- C31 H53 Bi Cl3 N P2 Pt -","- C124 H212 Bi4 Cl12 N4 P8 Pt4 -","4","1","","Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato","Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt<sub>3</sub>)<sub>3</sub> with cyclic organobismuth compounds.","Chemical communications (Cambridge, England)","2020","56","96","15216","15219","10.1039/d0cc07408j","","","0.71069","MoKα","","0.0233","0.0197","","","0.0406","0.0416","","","","","","1.064","","","","has coordinates","259664","2020-12-09","01:48:08",""
"7127504","5.9321","0.0006","11.9878","0.0013","14.8586","0.0016","73.9545","0.0012","80.1893","0.0013","84.8797","0.0012","999.63","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","0.71073","MoKα","","0.0328","0.0251","","","0.0595","0.0637","","","","","","1.021","","","","has coordinates","259666","2020-12-09","01:49:18",""
"7127505","6.0619","0.0009","11.9613","0.0017","12.6449","0.0018","88.7995","0.0016","79.8911","0.0017","88.7903","0.0017","902.3","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H8 F16 I4 N4 -","- C34 H8 F16 I4 N4 -","- C34 H8 F16 I4 N4 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","0.71073","MoKα","","0.0394","0.0285","","","0.0666","0.0722","","","","","","1.028","","","","has coordinates,has disorder","259666","2020-12-09","01:49:19",""
"7127506","5.9617","0.0002","12.0425","0.0004","14.9758","0.0005","73.9375","0.0013","80.8173","0.0015","85.0271","0.0016","1018.93","0.06","253","0.1","253","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","1.54184","CuKα","","0.0818","0.0719","","","0.2037","0.2292","","","","","","1.038","","","","has coordinates","259666","2020-12-09","01:49:19",""
"7127507","6.0053","0.0003","11.9473","0.0005","18.8788","0.0007","71.556","0.004","89.199","0.003","83.434","0.004","1276.14","0.1","253","0.1","253","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H24 F16 I4 N4 -","- C54 H24 F16 I4 N4 -","- C54 H24 F16 I4 N4 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","1.54184","CuKα","","0.0677","0.0457","","","0.1107","0.1346","","","","","","1.024","","","","has coordinates,has disorder","259666","2020-12-09","01:49:19",""
"7127508","5.9541","0.0004","9.6644","0.0007","11.8639","0.0009","67.331","0.002","85.205","0.003","80.816","0.002","621.68","0.08","253","0.1","253","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","0.71073","MoKα","","0.0708","0.0391","","","0.067","0.0774","","","","","","1.023","","","","has coordinates,has disorder","259666","2020-12-09","01:49:19",""
"7127509","16.0226","0.0004","17.1096","0.0004","23.7566","0.0006","93.645","0.002","98.841","0.002","94.484","0.002","6396.6","0.3","100","0.1","100","0.1","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C30 H36 Co N1.5 O1.5 Se1.5 -","- C30 H36 Co N1.5 O1.5 Se1.5 -","- C240 H288 Co8 N12 O12 Se12 -","8","4","","Sarkar, Prasenjit; Konch, Tukhar Jyoti; Kamilya, Tapas; Raidongia, Kalyan; Acharya, Somobrata; Mukherjee, Chandan","The range of antiferromagnetic coupling governs the conductivity: semiconducting behavior and ammonia gas sensing property of diamagnetic hexaradical-containing tetranuclear Co<sup>III</sup><sub>4</sub> cluster and its nonradical congener.","Chemical communications (Cambridge, England)","2020","56","96","15220","15223","10.1039/d0cc04061d","","x-ray","0.71073","MoKα","","0.0839","0.0545","","","0.1363","0.1499","","","","","","1.012","","","","has coordinates","259667","2020-12-09","01:49:57",""
"7127510","17.1932","0.0006","19.1994","0.0006","21.9119","0.0007","98.522","0.002","101.989","0.003","110.296","0.003","6442","0.4","104","6","104","6","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C126 H150 Co4 N6 O6 Se6 -","- C126 H150 Co4 N6 O6 Se6 -","- C252 H300 Co8 N12 O12 Se12 -","2","1","","Sarkar, Prasenjit; Konch, Tukhar Jyoti; Kamilya, Tapas; Raidongia, Kalyan; Acharya, Somobrata; Mukherjee, Chandan","The range of antiferromagnetic coupling governs the conductivity: semiconducting behavior and ammonia gas sensing property of diamagnetic hexaradical-containing tetranuclear Co<sup>III</sup><sub>4</sub> cluster and its nonradical congener.","Chemical communications (Cambridge, England)","2020","56","96","15220","15223","10.1039/d0cc04061d","","x-ray","0.71073","MoKα","","0.0811","0.0547","","","0.1349","0.1472","","","","","","1.074","","","","has coordinates","259667","2020-12-09","01:49:57",""
"7127511","11.14","0.004","13.27","0.003","16.669","0.005","98.91","0.01","90.453","0.007","99.668","0.007","2398.4","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H38 O4 -","- C58 H38 O4 -","- C116 H76 O8 -","2","1","","Chang, Hao; Liu, Haoliang; Dmitrieva, Evgenia; Chen, Qiang; Ma, Ji; He, Piao; Liu, Pengcai; Popov, Alexey A.; Cao, Xiao-Yu; Wang, Xiao-Ye; Zou, Yingping; Narita, Akimitsu; Müllen, Klaus; Peng, Hongjian; Hu, Yunbin","Furan-containing double tetraoxa[7]helicene and its radical cation.","Chemical communications (Cambridge, England)","2020","56","96","15181","15184","10.1039/d0cc06970a","","","0.71073","MoKα","","0.0992","0.0621","","","0.1752","0.2043","","","","","","0.987","","","","has coordinates","259668","2020-12-09","01:50:22",""
"7127515","8.5959","0.0005","18.7821","0.0011","27.0537","0.0015","108.997","0.002","95.076","0.003","94.172","0.002","4089.7","0.4","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H48 O6 -","- C47 H48 O6 -","- C188 H192 O24 -","4","2","","Yao, Liangliang; Fang, Bo; Hu, Qiong; Lei, Yu; Bao, Li; Hu, Yimin","Phenanthrenes/dihydrophenanthrenes: the selectivity controlled by different benzynes and allenes.","Chemical communications (Cambridge, England)","2020","56","96","15185","15188","10.1039/d0cc06300b","","","0.71073","MoKα","","0.2677","0.0949","","","0.1888","0.2625","","","","","","1.008","","","","has coordinates,has disorder","259670","2020-12-09","01:51:55",""
"7127516","8.662","0.0003","11.8573","0.0005","17.3792","0.0007","96.695","0.002","99.325","0.002","108.28","0.002","1645.59","0.11","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H36 O6 -","- C41 H36 O6 -","- C82 H72 O12 -","2","1","","Yao, Liangliang; Fang, Bo; Hu, Qiong; Lei, Yu; Bao, Li; Hu, Yimin","Phenanthrenes/dihydrophenanthrenes: the selectivity controlled by different benzynes and allenes.","Chemical communications (Cambridge, England)","2020","56","96","15185","15188","10.1039/d0cc06300b","","","0.71073","MoKα","","0.0802","0.0603","","","0.157","0.1754","","","","","","1.044","","","","has coordinates,has disorder","259670","2020-12-09","01:51:55",""
"7127517","9.1429","0.0008","10.3536","0.0009","16.2762","0.0014","90","","105.372","0.001","90","","1485.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Yao, Liangliang; Fang, Bo; Hu, Qiong; Lei, Yu; Bao, Li; Hu, Yimin","Phenanthrenes/dihydrophenanthrenes: the selectivity controlled by different benzynes and allenes.","Chemical communications (Cambridge, England)","2020","56","96","15185","15188","10.1039/d0cc06300b","","","0.71073","MoKα","","0.0529","0.0421","","","0.1205","0.1305","","","","","","1.038","","","","has coordinates","259670","2020-12-09","01:51:55",""
"7127520","24.841","0.006","18.316","0.004","10.897","0.005","90","","105.586","0.004","90","","4776","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C60 H57 Cu4 Mo12 N16 O50 P3 -","- C60 H50 Cu4 Mo12 N16 O50 P3 -","- C120 H100 Cu8 Mo24 N32 O100 P6 -","2","0.25","","Li, Shaobin; Tan, Xiaoguo; Yue, Ming; Zhang, Li; Chai, Dongfeng; Wang, Wendi; Pan, Hong; Fan, Linlin; Zhao, Chunyan","A polyoxometalate-encapsulated nanocage cluster organic framework built from {Cu<sub>4</sub>P<sub>2</sub>} units and its efficient bifunctional electrochemical performance.","Chemical communications (Cambridge, England)","2020","56","96","15177","15180","10.1039/d0cc06665f","","","0.71069","MoKα","","0.1046","0.0617","","","0.1834","0.217","","","","","","0.769","","","","has coordinates","259672","2020-12-09","01:53:16",""
"7127535","8.3459","0.0003","31.8448","0.001","18.0413","0.0006","90","","92.018","0.002","90","","4791.9","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H48 Cl2 N2 O6 S2 -","- C59 H48 Cl2 N2 O6 S2 -","- C236 H192 Cl8 N8 O24 S8 -","4","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0949","0.0876","","","0.1861","0.1904","","","","","","1.222","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127536","17.1953","0.0003","11.2998","0.0003","23.4679","0.0005","90","","99.631","0.001","90","","4495.63","0.17","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 N O3 S -","- C29 H21 N O3 S -","- C232 H168 N8 O24 S8 -","8","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0399","0.0394","","","0.0958","0.0962","","","","","","1.12","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127537","8.5406","0.0007","10.0271","0.0008","13.9349","0.0011","89.172","0.004","79.068","0.004","66.547","0.003","1072.43","0.15","116","2","116","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N O2 S -","- C29 H21 N O2 S -","- C58 H42 N2 O4 S2 -","2","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0745","0.0713","","","0.1868","0.1905","","","","","","1.058","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127538","12.6739","0.0009","16.317","0.003","12.1213","0.0013","90","","109.725","0.012","90","","2359.6","0.6","102","2","102","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N O4 S -","- C30 H23 N O4 S -","- C120 H92 N4 O16 S4 -","4","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0506","0.048","","","0.1155","0.1174","","","","","","1.079","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127539","8.748","0.003","14.05","0.005","22.585","0.008","97.243","0.009","100.218","0.005","97.968","0.009","2673","1.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 N2 O10 S2 -","- C64 H58 N2 O10 S2 -","- C128 H116 N4 O20 S4 -","2","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0768","0.068","","","0.1607","0.1666","","","","","","1.079","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127590","8.4212","0.0008","14.1413","0.0016","13.5406","0.0013","90","","101.611","0.007","90","","1579.5","0.3","78","2","78","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B Cl F N2 O2 -","- C17 H17 B Cl F N2 O2 -","- C68 H68 B4 Cl4 F4 N8 O8 -","4","1","","Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.","Chemical communications (Cambridge, England)","2020","56","97","15305","15308","10.1039/d0cc06383e","","","0.71075","MoKα","","0.0577","0.0507","","","0.1382","0.1432","","","","","","1.092","","","","has coordinates","259906","2020-12-16","01:45:39",""
"7127591","12.8397","0.0012","12.8397","0.0012","8.5551","0.0011","90","","90","","120","","1221.4","0.2","143","2","143","2","","","","","","","","7","P 32","P 32","145","","","","- C17 H17 B Cl F N2 O2 -","- C17 H17 B Cl F N2 O2 -","- C51 H51 B3 Cl3 F3 N6 O6 -","3","1","","Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.","Chemical communications (Cambridge, England)","2020","56","97","15305","15308","10.1039/d0cc06383e","","","0.71075","MoKα","","0.0386","0.0342","","","0.0853","0.0876","","","","","","1.008","","","","has coordinates","259906","2020-12-16","01:45:40",""
"7127599","6.9996","0.0008","10.3778","0.0012","17.063","0.002","91.762","0.001","99.022","0.001","105.266","0.001","1177.6","0.2","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C33 H24 -","- C33 H24 -","- C66 H48 -","2","1","","Wu, Li-Jun; Yang, Liang-Feng; Lv, Gui-Fen; Li, Jin-Heng","Divergent functionalization of terminal alkynes enabled alkynylative [5+1] benzannulation of 3-acetoxy-1,4-enynes.","Chemical communications (Cambridge, England)","2020","56","97","15329","15332","10.1039/d0cc06793h","","","0.71073","MoKα","","0.055","0.0388","","","0.0902","0.1003","","","","","","0.994","","","","has coordinates","259908","2020-12-16","01:48:46",""
"7127600","12.364","0.003","33.5","0.007","12.912","0.003","90","","97.29","0.03","90","","5305","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C90.88 H116.1 Cl0.6 Ir0.6 Mn3 N12 O20.02 -","- C76 H68 Cl0.6 Ir0.6 Mn3 N12 O12 -","- C152 H136 Cl1.2 Ir1.2 Mn6 N24 O24 -","2","0.5","","Perlata, Ricardo A.; Huxley, Michael T.; Shi, Zhaolin; Zhang, Yue-Biao; Sumby, Christopher J.; Doonan, Christian J.","A metal-organic framework supported iridium catalyst for the gas phase hydrogenation of ethylene.","Chemical communications (Cambridge, England)","2020","56","97","15313","15316","10.1039/d0cc06058e","","","0.71073","Synchrotron","","0.1004","0.0924","","","0.3047","0.3129","","","","","","1.359","","","","has coordinates,has disorder","259910","2020-12-16","01:49:20",""
"7127601","5.5032","0.0006","14.7847","0.0017","21.373","0.002","90","","90","","90","","1739","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O Se -","- C22 H17 N O Se -","- C88 H68 N4 O4 Se4 -","4","1","","Liu, Xiang; Wang, Yajun; Song, Dan; Wang, Yuhan; Cao, Hua","Electrochemical regioselective selenylation/oxidation of N-alkylisoquinolinium salts via double C(sp<sup>2</sup>)-H bond functionalization.","Chemical communications (Cambridge, England)","2020","56","97","15325","15328","10.1039/d0cc06778d","","x-ray","0.71073","MoKα","","0.0918","0.0555","","","0.1025","0.119","","","","","","1.011","","","","has coordinates","259911","2020-12-16","01:49:48",""
"7127602","4.698","0.01","17.77","0.01","7.328","0.012","90","","118.95","","90","","535.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 F2 O4 Rb -","- B3 F2 O4 Rb -","- B12 F8 O16 Rb4 -","4","1","","Lu, Zixiu; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","RbB<sub>3</sub>O<sub>4</sub>F<sub>2</sub>: a rubidium fluorooxoborate with an unprecedented [B<sub>3</sub>O<sub>5</sub>F<sub>2</sub>]<sup>3-</sup> functionalized unit and a large birefringence.","Chemical communications (Cambridge, England)","2020","56","97","15333","15336","10.1039/d0cc06851a","","","0.71073","MoKα","","0.0924","0.0524","","","0.0907","0.1037","","","","","","1.007","","","","has coordinates","259912","2020-12-16","01:50:10",""
"7127604","10.7856","0.0006","24.1392","0.0014","9.3144","0.0006","90","","94.959","0.002","90","","2416","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 S -","- C34 H20 S -","- C136 H80 S4 -","4","1","","Manikandan, Palani; Karunakaran, Jayachandran; Varathan, Elumalai; Schreckenbach, Georg; Mohanakrishnan, Arasambattu K.","Diels-Alder reaction of tetraarylcyclopentadienones with benzo[b]thiophene S,S-dioxides: an unprecedented de-oxygenation vs. sulfur dioxide extrusion.","Chemical communications (Cambridge, England)","2020","56","97","15317","15320","10.1039/d0cc05842d","","","0.71073","MoKα","","0.1137","0.0613","","","0.1645","0.2012","","","","","","1.031","","","","has coordinates","259914","2020-12-16","01:51:20",""
"7127605","10.417","0.0003","11.3442","0.0004","12.577","0.0004","108.867","0.002","105.293","0.003","99.814","0.004","1302.26","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","7,10-bis(4-methoxyphenyl)-8-phenylfluoranthene","","- C36 H26 O2 -","- C36 H26 O2 -","- C72 H52 O4 -","2","1","","Manikandan, Palani; Karunakaran, Jayachandran; Varathan, Elumalai; Schreckenbach, Georg; Mohanakrishnan, Arasambattu K.","Diels-Alder reaction of tetraarylcyclopentadienones with benzo[b]thiophene S,S-dioxides: an unprecedented de-oxygenation vs. sulfur dioxide extrusion.","Chemical communications (Cambridge, England)","2020","56","97","15317","15320","10.1039/d0cc05842d","","","0.71073","MoKα","","0.095","0.0466","","","0.1124","0.1427","","","","","","1.006","","","","has coordinates","259914","2020-12-16","01:51:21",""
"7127606","11.7855","0.0011","9.5702","0.0007","19.7443","0.0017","90","","96.996","0.004","90","","2210.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dithiophene","","- C30 H18 S2 -","- C30 H18 S2 -","- C120 H72 S8 -","4","1","","Manikandan, Palani; Karunakaran, Jayachandran; Varathan, Elumalai; Schreckenbach, Georg; Mohanakrishnan, Arasambattu K.","Diels-Alder reaction of tetraarylcyclopentadienones with benzo[b]thiophene S,S-dioxides: an unprecedented de-oxygenation vs. sulfur dioxide extrusion.","Chemical communications (Cambridge, England)","2020","56","97","15317","15320","10.1039/d0cc05842d","","","0.71073","MoKα","","0.122","0.0546","","","0.1384","0.1941","","","","","","1.031","","","","has coordinates,has disorder","259914","2020-12-16","01:51:21",""
"7127647","9.6343","0.0002","19.0413","0.0005","19.4763","0.0005","83.018","0.002","89.376","0.002","82.19","0.002","3513.47","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br N O2 -","- C20 H20 Br N O2 -","- C160 H160 Br8 N8 O16 -","8","4","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0815","0.0698","","","0.1465","0.151","","","","","","1.24","","","","has coordinates","259977","2020-12-19","01:56:37",""
"7127648","12.6799","0.0006","6.6733","0.0003","15.0742","0.0007","90","","109.16","0.002","90","","1204.87","0.1","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H19 Br Cl3 N O2 -","- C27 H19 Br Cl3 N O2 -","- C54 H38 Br2 Cl6 N2 O4 -","2","0.5","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","","0.71073","MoKα","","0.0512","0.0448","","","0.1172","0.1209","","","","","","1.119","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127649","10.1266","0.0004","21.0008","0.0009","10.2483","0.0004","90","","90","","90","","2179.47","0.15","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0496","0.0414","","","0.0932","0.0968","","","","","","1.03","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127650","8.5848","0.0003","6.8902","0.0003","15.8079","0.0006","90","","98.98","0.001","90","","923.59","0.06","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H16 Br N O S -","- C22 H16 Br N O S -","- C44 H32 Br2 N2 O2 S2 -","2","0.5","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0277","0.0243","","","0.0602","0.0618","","","","","","1.076","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127651","30.762","0.003","10.8014","0.0011","11.0953","0.0011","90","","90","","90","","3686.7","0.6","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H16 Br N O Se -","- C22 H16 Br N O Se -","- C176 H128 Br8 N8 O8 Se8 -","8","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0374","0.0274","","","0.0562","0.0593","","","","","","1.055","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127652","8.7249","0.0003","9.7643","0.0003","13.4767","0.0005","90.141","0.001","106.286","0.001","112.456","0.001","1010.68","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br Cl2 N O2 -","- C23 H18 Br Cl2 N O2 -","- C46 H36 Br2 Cl4 N2 O4 -","2","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0539","0.056","","","","","","1.029","","","","has coordinates,has disorder","259977","2020-12-19","01:56:38",""
"7127653","20.58","0.0006","24.0995","0.0007","11.4414","0.0003","90","","90","","90","","5674.6","0.3","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H40 N2 O4 -","- C31 H40 N2 O4 -","- C248 H320 N16 O32 -","8","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0592","0.0425","","","0.096","0.1052","","","","","","1.029","","","","has coordinates,has disorder","259977","2020-12-19","01:56:38",""
"7127688","9.7754","0.0003","12.5427","0.0004","22.3714","0.0007","90","","96.082","0.003","90","","2727.52","0.15","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","UPC-H7","","- C22 H36 N4 O6 S2 -","- C22 H36 N4 O6 S2 -","- C88 H144 N16 O24 S8 -","4","1","","Wang, Yijie; Zhang, Minghui; Yang, Qianqian; Yin, Jianbo; Liu, Di; Shang, Yanxue; Kang, Zixi; Wang, Rongming; Sun, Daofeng; Jiang, Jianzhuang","Single-crystal-to-single-crystal transformation and proton conductivity of three hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2020","56","99","15529","15532","10.1039/d0cc05402j","","","1.54178","CuKα","","0.0791","0.0693","","","0.1946","0.1996","","","","","","1.085","","","","has coordinates","260097","2020-12-23","01:51:35",""
"7127689","9.6616","0.0003","12.3127","0.0004","22.5851","0.0009","90","","97.458","0.004","90","","2664","0.16","150","3","150","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","UPC-H8","","- C16 H0 N11 O6 S2 -","- C22 H36 N4 O6 S2 -","- C88 H144 N16 O24 S8 -","4","1","","Wang, Yijie; Zhang, Minghui; Yang, Qianqian; Yin, Jianbo; Liu, Di; Shang, Yanxue; Kang, Zixi; Wang, Rongming; Sun, Daofeng; Jiang, Jianzhuang","Single-crystal-to-single-crystal transformation and proton conductivity of three hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2020","56","99","15529","15532","10.1039/d0cc05402j","","x-ray","1.54184","CuKα","","0.0929","0.0715","","","0.1751","0.1831","","","","","","1.2","","","","has coordinates","260097","2020-12-23","01:51:35",""
"7127690","11.2723","0.0018","18.109","0.003","14.821","0.003","90","","110.51","0.02","90","","2833.6","0.9","150","3","150","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","UPC-H9","","- C22 H44 N4 O10 S2 -","- C22 H40 N4 O8 S2 -","- C88 H160 N16 O32 S8 -","4","1","","Wang, Yijie; Zhang, Minghui; Yang, Qianqian; Yin, Jianbo; Liu, Di; Shang, Yanxue; Kang, Zixi; Wang, Rongming; Sun, Daofeng; Jiang, Jianzhuang","Single-crystal-to-single-crystal transformation and proton conductivity of three hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2020","56","99","15529","15532","10.1039/d0cc05402j","","x-ray","1.54184","CuKα","","0.3541","0.1129","","","0.2491","0.3817","","","","","","0.914","","","","has coordinates","260097","2020-12-23","01:51:35",""
"7127718","11.7689","0.0004","15.1355","0.0006","13.096","0.0005","90","","111.37","0.004","90","","2172.38","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl O P -","- C24 H28 Cl O P -","- C96 H112 Cl4 O4 P4 -","4","1","","Niu, Yuan; Qi, Zhichao; Lou, Qinxin; Bai, Pengbo; Yang, Shangdong","Copper-catalyzed arylation of polycyclic aromatic hydrocarbons by the P[double bond, length as m-dash]O group.","Chemical communications (Cambridge, England)","2020","56","93","14721","14724","10.1039/d0cc06639g","","x-ray","1.54184","CuKα","","0.0687","0.0477","","","0.1175","0.1267","","","","","","1.034","","","","has coordinates","260457","2021-01-04","17:44:10",""
"7127719","16.7812","0.0005","12.2467","0.0004","6.9816","0.0002","90","","90","","90","","1434.82","0.08","300","0.11","300","0.11","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H16 Cl2 N12 O -","- C6 H16 Cl2 N12 O -","- C24 H64 Cl8 N48 O4 -","4","0.5","","Liu, Lehui; Hu, Chun-Li; Bai, Zhiyong; Yuan, Feifei; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin","2(C<sub>3</sub>H<sub>7</sub>N<sub>6</sub>)<sup>+</sup>·2Cl<sup>-</sup>·H<sub>2</sub>O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation.","Chemical communications (Cambridge, England)","2020","56","93","14657","14660","10.1039/d0cc06558g","","x-ray","1.3405","GaKα","","0.0501","0.0394","","","0.086","0.0907","","","","","","1.025","","","","has coordinates","260458","2021-01-04","17:44:32",""
"7127720","12.027","0.003","12.23","0.003","33.79","0.009","83.652","0.004","86.895","0.004","62.035","0.003","4362.9","1.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","2 in manuscript","","","- C23 H18 Au O P S3 -","- C23 H18 Au O P S3 -","- C184 H144 Au8 O8 P8 S24 -","8","4","","Roesch, Saskia; Fermi, Valentina; Rominger, Frank; Herold-Mende, Christel; Romero-Nieto, Carlos","Gold(i) complexes based on six-membered phosphorus heterocycles as bio-active molecules against brain cancer.","Chemical communications (Cambridge, England)","2020","56","93","14593","14596","10.1039/d0cc05761d","","","0.71073","MoKα","","0.148","0.0794","","","0.1625","0.1791","","","","","","1.05","","","","has coordinates","260459","2021-01-04","17:45:07",""
"7127721","12.7527","0.0003","18.7996","0.0004","16.53","0.0004","90","","108.271","0.0007","90","","3763.2","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3 in manuscript","","","- C21 H13 Au N P S2 -","- C21 H13 Au N P S2 -","- C168 H104 Au8 N8 P8 S16 -","8","2","","Roesch, Saskia; Fermi, Valentina; Rominger, Frank; Herold-Mende, Christel; Romero-Nieto, Carlos","Gold(i) complexes based on six-membered phosphorus heterocycles as bio-active molecules against brain cancer.","Chemical communications (Cambridge, England)","2020","56","93","14593","14596","10.1039/d0cc05761d","","","0.71073","MoKα","","0.0643","0.0386","","","0.0867","0.0992","","","","","","1.016","","","","has coordinates,has disorder","260459","2021-01-04","17:45:08",""
"7127722","15.377","0.0004","30.6356","0.0007","28.8107","0.0016","90","","98.31","0.004","90","","13429.7","0.9","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C122 H118 Ag3 B2 N13 O7 P6 W2 -","- C122 H118 Ag3 B2 N13 O7 P6 W2 -","- C488 H472 Ag12 B8 N52 O28 P24 W8 -","4","1","","Manzano, Richard A.; Hill, Anthony F.; Georgelin, Rosemary L.","Tetrel and pnictogen functionalised propargylidynes.","Chemical communications (Cambridge, England)","2020","56","93","14597","14600","10.1039/d0cc06196d","","x-ray","1.54184","CuKα","","0.1557","0.104","","","0.2215","0.2481","","","","","","1.031","","","","has coordinates","260460","2021-01-04","17:46:33",""
"7127723","14.6458","0.0002","13.04801","0.00014","19.07","0.0003","90","","102.382","0.0013","90","","3559.48","0.09","170","30","170","30","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 B2 Cl2 N6 O2 P W -","- C33 H37 B2 Cl2 N6 O2 P W -","- C132 H148 B8 Cl8 N24 O8 P4 W4 -","4","1","","Manzano, Richard A.; Hill, Anthony F.; Georgelin, Rosemary L.","Tetrel and pnictogen functionalised propargylidynes.","Chemical communications (Cambridge, England)","2020","56","93","14597","14600","10.1039/d0cc06196d","","x-ray","0.71073","MoKα","","0.0285","0.0232","","","0.0537","0.0568","","","","","","1.042","","","","has coordinates","260460","2021-01-04","17:46:33",""
"7127724","19.9401","0.0007","5.3894","0.0002","32.9348","0.0013","90","","101.506","0.002","90","","3468.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O5 S -","- C16 H17 N O5 S -","- C128 H136 N8 O40 S8 -","8","1","","Zhang, Chun; Huang, Jiapian; Ye, Shengqing; Tang, Jie; Wu, Jie","A metal-free reaction of sulfur dioxide, cyclopropanols and electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","89","13852","13855","10.1039/d0cc06465c","","","1.34138","GaKα","","0.0638","0.0622","","","0.2052","0.2091","","","","","","1.092","","","","has coordinates","260461","2021-01-04","17:57:13",""
"7127725","14.6214","0.0011","28.2561","0.0017","14.335","0.0009","90","","93.955","0.006","90","","5908.3","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C106 H146 O20 Ti4 -","- C106 H146 O20 Ti4 -","- C212 H292 O40 Ti8 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1839","0.1038","","","0.2251","0.258","","","","","","1.014","","","","has coordinates,has disorder","260462","2021-01-04","18:00:55",""
"7127726","14.2318","0.0011","14.6532","0.0012","18.081","0.0015","103.02","0.006","102.821","0.006","107.509","0.005","3328.9","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H136 N4 O22 Ti4 -","- C104 H136 N4 O22 Ti4 -","- C104 H136 N4 O22 Ti4 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1552","0.0666","","","0.1571","0.1774","","","","","","0.883","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127727","18.742","0.002","15.6878","0.0019","24.515","0.003","90","","106.32","0.007","90","","6917.5","1.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C136 H174 N6 O26 Ti6 -","- C136 H174 N6 O26 Ti6 -","- C272 H348 N12 O52 Ti12 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1102","0.0551","","","0.1394","0.1762","","","","","","1.035","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127728","18.124","0.002","15.607","0.002","25.066","0.003","90","","105.645","0.003","90","","6827.5","1.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C137 H169 O26 Ti6 -","- C137 H169 O26 Ti6 -","- C274 H338 O52 Ti12 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.2189","0.0756","","","0.1228","0.1527","","","","","","0.873","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127729","14.4277","0.0006","14.608","0.0005","17.6599","0.0007","82.875","0.003","72.447","0.004","75.012","0.004","3423.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C128 H188 N8 O26 Ti4 -","- C128 H188 N8 O26 Ti4 -","- C128 H188 N8 O26 Ti4 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.0969","0.0649","","","0.1933","0.2115","","","","","","1.061","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127730","26.9642","0.0007","24.087","0.0007","23.819","0.0007","90","","94.28","0.002","90","","15427","0.8","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H172 Br4 N8 O20 Ti4 -","- C144 H172 Br4 N8 O20 Ti4 -","- C576 H688 Br16 N32 O80 Ti16 -","4","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1042","0.0696","","","0.2038","0.2236","","","","","","1.122","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127731","15.419","0.005","19.356","0.006","20.165","0.007","84.214","0.019","70.821","0.018","86.94","0.02","5654","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C95 H150 O27.52 Ti6 -","- C95 H150 O27.518 Ti6 -","- C190 H300 O55.036 Ti12 -","2","1","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.236","0.1047","","","0.2495","0.2953","","","","","","0.95","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127732","17.654","0.0007","15.3326","0.0005","24.8024","0.0011","90","","105.996","0.001","90","","6453.6","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C128 H164 O30 Ti6 -","- C128 H164 O30 Ti6 -","- C256 H328 O60 Ti12 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1107","0.0676","","","0.1458","0.1664","","","","","","1.056","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127733","21.3911","0.0002","25.7936","0.0003","33.0748","0.0004","90","","99.423","0.001","90","","18002.9","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C151 H225 O34 Ti6 -","- C151 H225 O34 Ti6 -","- C604 H900 O136 Ti24 -","4","1","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","1.54184","CuKα","","0.0928","0.0655","","","0.174","0.1915","","","","","","1.041","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127734","14.966","0.0003","15.4941","0.0003","20.8678","0.0004","98.6889","0.0017","110.598","0.0017","100.033","0.0016","4340.33","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H164 Br12 O46 Ti10 -","- C130 H164 Br12 O46 Ti10 -","- C130 H164 Br12 O46 Ti10 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","1.54184","CuKα","","0.0833","0.0655","","","0.1841","0.2014","","","","","","1.026","","","","has coordinates,has disorder","260462","2021-01-04","18:00:59",""
"7127735","17.6619","0.0009","18.0164","0.0005","21.2467","0.0009","68.017","0.003","69.349","0.005","61.753","0.004","5393.7","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C196 H158 F60 O46 Ti10 -","- C196 H158 F60 O46 Ti10 -","- C196 H158 F60 O46 Ti10 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","1.54184","MoKα","","0.1507","0.0953","","","0.2603","0.305","","","","","","1.016","","","","has coordinates,has disorder","260462","2021-01-04","18:01:02",""
"7127736","23.6231","0.0004","13.3113","0.0001","30.4842","0.0005","90","","105.741","0.002","90","","9226.4","0.2","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H130 N6 Ni P8 Si2 -","- C91 H130 N6 Ni P8 Si2 -","- C364 H520 N24 Ni4 P32 Si8 -","4","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0397","0.0334","","","0.0816","0.0854","","","","","","1.015","","","","has coordinates,has disorder","260463","2021-01-04","18:04:08",""
"7127737","17.4813","0.0003","22.9979","0.0003","22.0196","0.0003","90","","97.889","0.002","90","","8768.8","0.2","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H118 N6 Ni P8 Si2 -","- C85 H118 N6 Ni P8 Si2 -","- C340 H472 N24 Ni4 P32 Si8 -","4","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0518","0.039","","","0.0939","0.1021","","","","","","1.018","","","","has coordinates,has disorder","260463","2021-01-04","18:04:15",""
"7127738","17.4645","0.0003","15.4359","0.0003","42.649","0.0006","90","","90","","90","","11497.3","0.3","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 N4 Ni P4 Si -","- C56 H76 N4 Ni P4 Si -","- C448 H608 N32 Ni8 P32 Si8 -","8","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0759","0.0664","","","0.1627","0.1681","","","","","","1.137","","","","has coordinates,has disorder","260463","2021-01-04","18:04:15",""
"7127739","23.3638","0.0005","16.0951","0.0003","27.7549","0.0006","90","","107.229","0.002","90","","9968.7","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H116 N6 Ni2 P8 Si2 -","- C85 H116 N6 Ni2 P8 Si2 -","- C340 H464 N24 Ni8 P32 Si8 -","4","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0533","0.0446","","","0.1148","0.1215","","","","","","1.028","","","","has coordinates,has disorder","260463","2021-01-04","18:04:16",""
"7127740","9.1488","0.0002","17.223","0.0004","25.5541","0.0006","74.736","0.002","86.924","0.002","89.597","0.002","3878.81","0.16","101","2","101","2","","","","","","","","6","P -1","-P 1","2","YP bpyLAlCl","","","- C79 H98 Al2 Cl8 N4 O4 -","- C79 H98 Al2 Cl8 N4 O4 -","- C158 H196 Al4 Cl16 N8 O8 -","2","1","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.1112","0.0789","","","0.1941","0.2291","","","","","","1.057","","","","has coordinates","260464","2021-01-04","18:06:00",""
"7127741","13.562","0.0018","13.8874","0.0016","15.489","0.003","99.761","0.01","94.142","0.011","108.246","0.011","2705.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","YP_bpyLAloCPMAOiPr","","","- C52 H63 Al Cl6 N2 O6 -","- C52 H63 Al Cl6 N2 O6 -","- C104 H126 Al2 Cl12 N4 O12 -","2","1","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.2895","0.1583","","","0.3909","0.4757","","","","","","1.076","","","","has coordinates","260464","2021-01-04","18:06:01",""
"7127742","22.6444","0.0012","30.8757","0.0016","21.0423","0.0013","90","","90","","90","","14712","1.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","YP salphLAl(oCPCA-OiPr)","","","- C135 H175 Al3 N6 O15 -","- C135 H175 Al3 N6 O15 -","- C540 H700 Al12 N24 O60 -","4","0.5","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.0783","0.0656","","","0.1654","0.1755","","","","","","1.041","","","","has coordinates,has disorder","260464","2021-01-04","18:06:01",""
"7127743","22.7869","0.0007","30.5983","0.0009","21.2437","0.0007","90","","90","","90","","14812","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","YP salphLAl(oCHCA-OiPr)","","","- C137 H179 Al3 N6 O15 -","- C137 H179 Al3 N6 O15 -","- C548 H716 Al12 N24 O60 -","4","0.5","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.117","0.085","","","0.2174","0.2518","","","","","","1.048","","","","has coordinates,has disorder","260464","2021-01-04","18:06:01",""
"7127744","11.5103","0.0004","4.2412","0.0001","19.5894","0.0007","90","","90.446","0.003","90","","956.28","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0417","0.0381","","","0.1035","0.1061","","","","","","1.06","","","","has coordinates","260465","2021-01-04","18:06:41",""
"7127745","11.5218","0.0004","4.2497","0.0002","19.6222","0.0008","90","","90.458","0.004","90","","960.75","0.07","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0647","0.059","","","0.1513","0.1567","","","","","","1.051","","","","has coordinates","260465","2021-01-04","18:06:41",""
"7127746","11.5363","0.0006","4.2584","0.0002","19.6624","0.0012","90","","90.49","0.005","90","","965.9","0.09","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0968","0.0828","","","0.2266","0.2506","","","","","","1.014","","","","has coordinates","260465","2021-01-04","18:06:41",""
"7127747","19.294","0.004","19.413","0.004","23.421","0.005","72.2","0.03","86.15","0.03","65.93","0.03","7610","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CBoc","","- C120 H100 Cu4 N8 O28 -","- C120 H100 Cu4 N8 O28 -","- C240 H200 Cu8 N16 O56 -","2","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","","0.71073","Synchrotron","","0.0857","0.0608","","","0.1758","0.1888","","","","","","1.067","","","","has coordinates","260466","2021-01-04","18:14:28",""
"7127748","16.005","0.003","17.777","0.004","20.441","0.004","104.91","0.03","109.45","0.03","104.86","0.03","4912","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CFmoc","","- C168 H124 Cu4 N12 O28 -","- C168 H124 Cu4 N12 O28 -","- C168 H124 Cu4 N12 O28 -","1","0.5","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","","0.71073","Synchrotron","","0.0735","0.0655","","","0.209","0.217","","","","","","1.072","","","","has coordinates","260466","2021-01-04","18:14:29",""
"7127749","5.6244","0.0001","6.1097","0.0001","15.9088","0.0003","89.883","0.002","81.215","0.002","76.999","0.002","526.121","0.017","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 K2 N2 O11 S2 -","- C18 H14 K2 N2 O11 S2 -","- C18 H14 K2 N2 O11 S2 -","1","0.5","","Ke, Hua; Hu, Fen; Meng, Lingyi; Chen, Qi-Hua; Lai, Qian-Sheng; Li, Ze-Chen; Huang, Ze-Long; Liao, Jian-Zhen; Qiu, Jian-Ding; Lu, Can-Zhong","Ultrastable radical-doped coordination compounds with antimicrobial activity against antibiotic-resistant bacteria.","Chemical communications (Cambridge, England)","2020","56","92","14353","14356","10.1039/d0cc06379g","","x-ray","1.54184","CuKα","","0.0449","0.0389","","","0.1035","0.1166","","","","","","1.153","","","","has coordinates","260467","2021-01-04","18:15:08",""
"7127750","8.8177","0.0003","28.7454","0.0007","8.9688","0.0003","90","","108.766","0.003","90","","2152.46","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Ca N2 O12 S2 -","- C18 H16 Ca N2 O12 S2 -","- C72 H64 Ca4 N8 O48 S8 -","4","1","","Ke, Hua; Hu, Fen; Meng, Lingyi; Chen, Qi-Hua; Lai, Qian-Sheng; Li, Ze-Chen; Huang, Ze-Long; Liao, Jian-Zhen; Qiu, Jian-Ding; Lu, Can-Zhong","Ultrastable radical-doped coordination compounds with antimicrobial activity against antibiotic-resistant bacteria.","Chemical communications (Cambridge, England)","2020","56","92","14353","14356","10.1039/d0cc06379g","","x-ray","1.54184","CuKα","","0.068","0.0583","","","0.155","0.1681","","","","","","1.072","","","","has coordinates","260467","2021-01-04","18:15:08",""
"7127751","12.1513","0.0002","17.9898","0.0002","19.21888","0.00013","77.5748","0.0008","80.99","0.001","89.3233","0.0012","4051.17","0.09","160","0.1","160","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C160 H184 B4 Cl4 N24 O8 Pt4 Zn -","- C160 H184 B4 Cl4 N24 O8 Pt4 Zn -","- C160 H184 B4 Cl4 N24 O8 Pt4 Zn -","1","0.5","","Rubbiani, Riccardo; Wu, Wenyu; Naik, Anu; Larocca, Michele; Schneider, Lukas; Padrutt, Roxane; Babu, Vipin; König, Christiane; Hinger, Doris; Maake, Caroline; Ferrari, Stefano; Gasser, Gilles; Spingler, Bernhard","Studying the cellular distribution of highly phototoxic platinated metalloporphyrins using isotope labelling.","Chemical communications (Cambridge, England)","2020","56","92","14373","14376","10.1039/d0cc05196a","","x-ray","1.54184","CuKα","","0.0736","0.0684","","","0.1917","0.1964","","","","","","1.037","","","","has coordinates,has disorder","260468","2021-01-04","18:15:32",""
"7127752","14.5377","0.0003","16.9875","0.0003","31.4097","0.0005","90","","92.689","0.002","90","","7748.4","0.2","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H92 F12 K2 N16 O16 P2 -","- C64 H92 F12 K2 N16 O16 P2 -","- C256 H368 F48 K8 N64 O64 P8 -","4","1","","Xiao, Tangxin; Zhong, Weiwei; Yang, Weiwei; Qi, Lijie; Gao, Yan; Sue, Andrew C.-H.; Li, Zheng-Yi; Sun, Xiao-Qiang; Lin, Chen; Wang, Leyong","Reversible hydrogen-bonded polymerization regulated by allosteric metal templation.","Chemical communications (Cambridge, England)","2020","56","92","14385","14388","10.1039/d0cc06381a","","x-ray","0.71073","MoKα","","0.0799","0.0523","","","0.1491","0.1666","","","","","","1.071","","","","has coordinates,has disorder","260469","2021-01-04","18:15:56",""
"7127753","10.8825","0.001","21.5798","0.0016","8.2395","0.0007","90","","90","","90","","1935","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H19 Cl -","- C24 H19 Cl -","- C96 H76 Cl4 -","4","1","","Xue, Ze-Jian; Li, Meng-Yao; Zhu, Bin-Bin; He, Zhi-Tao; Feng, Chen-Guo; Lin, Guo-Qiang","Stereoselective synthesis of conjugated trienes <i>via</i> 1,4-palladium migration/Heck sequence.","Chemical communications (Cambridge, England)","2020","56","92","14420","14422","10.1039/d0cc06452a","","","0.71073","MoKα","","0.0781","0.0449","","","0.0894","0.1086","","","","","","1.06","","","","has coordinates","260470","2021-01-04","18:16:24",""
"7127754","9.1103","0.0009","9.944","0.001","15.5023","0.0016","77.338","0.002","89.422","0.002","88.622","0.002","1369.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H38 F3 Fe N3 O6 S -","- C24 H38 F3 Fe N3 O6 S -","- C48 H76 F6 Fe2 N6 O12 S2 -","2","1","","Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel","Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases.","Chemical communications (Cambridge, England)","2020","56","92","14369","14372","10.1039/d0cc05942k","","","0.71073","MoKα","","0.0778","0.0485","","","0.1016","0.1141","","","","","","1.024","","","","has coordinates","260471","2021-01-04","18:17:20",""
"7127755","10.8333","0.0008","12.2736","0.0008","13.012","0.0009","79.726","0.002","74.064","0.002","81.746","0.002","1628.8","0.2","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H44 F3 Fe N5 O5 S -","- C27 H44 F3 Fe N5 O5 S -","- C54 H88 F6 Fe2 N10 O10 S2 -","2","1","","Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel","Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases.","Chemical communications (Cambridge, England)","2020","56","92","14369","14372","10.1039/d0cc05942k","","","0.71073","MoKα","","0.0704","0.0575","","","0.1298","0.1385","","","","","","1.094","","","","has coordinates,has disorder","260471","2021-01-04","18:17:20",""
"7127756","12.832","0.003","15.977","0.003","30.509","0.006","90","","98.773","0.004","90","","6182","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Cl2 Fe2 N6 O10 -","- C52 H88 Cl2 Fe2 N6 O10 -","- C208 H352 Cl8 Fe8 N24 O40 -","4","1","","Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel","Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases.","Chemical communications (Cambridge, England)","2020","56","92","14369","14372","10.1039/d0cc05942k","","","0.71073","MoKα","","0.1072","0.0785","","","0.1937","0.2127","","","","","","1.086","","","","has coordinates,has disorder","260471","2021-01-04","18:17:21",""
"7127757","6.8545","0.0003","39.3855","0.0016","17.3529","0.0007","90","","98.991","0.002","90","","4627.2","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H34 F12 N10 O P2 Pt2 -","- C51 H34 F12 N10 O P2 Pt2 -","- C204 H136 F48 N40 O4 P8 Pt8 -","4","1","","He, Lei; Meng, Zhenyu; Guo, Qianqian; Wu, Xiangyang; Teulade-Fichou, Marie-Paule; Yeow, Edwin Kok Lee; Shao, Fangwei","Fluorogenic Pt complexes distinguish the quantity and folding behavior of RNA G-quadruplexes between live cancerous and healthy cells.","Chemical communications (Cambridge, England)","2020","56","92","14459","14462","10.1039/d0cc05622g","","","1.54178","CuKα","","0.0472","0.0438","","","0.0999","0.1014","","","","","","1.22","","","","has coordinates","260472","2021-01-04","18:17:55",""
"7127758","7.813","0.0006","9.3837","0.0006","16.3462","0.0011","101.355","0.006","97.002","0.006","104.391","0.006","1119.53","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 B F2 O4 -","- C25 H25 B F2 O4 -","- C50 H50 B2 F4 O8 -","2","1","","Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin","Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence.","Chemical communications (Cambridge, England)","2020","56","92","14435","14438","10.1039/d0cc05757f","","x-ray","1.54184","CuKα","","0.0559","0.0403","","","0.1002","0.1118","","","","","","1.043","","","","has coordinates","260473","2021-01-04","18:18:41",""
"7127759","9.6358","0.0007","10.2626","0.0006","12.5875","0.0008","75.48","0.005","73.81","0.006","83.749","0.006","1156.19","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O2 -","- C31 H26 O2 -","- C62 H52 O4 -","2","1","","Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin","Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence.","Chemical communications (Cambridge, England)","2020","56","92","14435","14438","10.1039/d0cc05757f","","x-ray","1.54184","CuKα","","0.0631","0.0498","","","0.1294","0.1374","","","","","","1.036","","","","has coordinates","260473","2021-01-04","18:18:41",""
"7127760","24.5441","0.0019","12.1699","0.0004","20.6663","0.0016","90","","123.726","0.011","90","","5134.1","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 B F2 O2 -","- C31 H25 B F2 O2 -","- C248 H200 B8 F16 O16 -","8","1","","Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin","Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence.","Chemical communications (Cambridge, England)","2020","56","92","14435","14438","10.1039/d0cc05757f","","x-ray","1.54184","CuKα","","0.0967","0.0745","","","0.221","0.2422","","","","","","1.057","","","","has coordinates,has disorder","260473","2021-01-04","18:18:41",""
"7127761","25.6867","0.0013","30.3229","0.0016","37.02","0.0018","107.289","0.003","99.777","0.003","110.352","0.003","24582","2","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C316 H437 Ag51 Cl7 F12 P2 Pt2 S28 Sb2 -","- C316 H439 Ag51 Cl7 F12 P2 Pt2 S28 Sb2 -","- C632 H878 Ag102 Cl14 F24 P4 Pt4 S56 Sb4 -","2","1","","Liu, Ying; Wang, Shuxin; Kang, Xi; Yin, Bing; Jin, Shan; Chen, Shuang; Zhu, Manzhou","Heterogeneous metal alloy engineering: embryonic growth of M<sub>13</sub> icosahedra in Ag-based alloy superatomic nanoclusters.","Chemical communications (Cambridge, England)","2020","56","91","14203","14206","10.1039/d0cc05575a","","","0.71073","MoKα","","0.2222","0.1183","","","0.2958","0.3502","","","","","","1.022","","","","has coordinates","260474","2021-01-04","18:20:21",""
"7127762","41.694","0.0005","29.9362","0.0004","62.1774","0.0009","90","","108.961","0.0006","90","","73396.4","1.7","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C280 H406 Ag48 Au3 Cl7 F12 S28 Sb2 -","- C280 H406 Ag48 Au3 Cl7 F12 S28 Sb2 -","- C2240 H3248 Ag384 Au24 Cl56 F96 S224 Sb16 -","8","1","","Liu, Ying; Wang, Shuxin; Kang, Xi; Yin, Bing; Jin, Shan; Chen, Shuang; Zhu, Manzhou","Heterogeneous metal alloy engineering: embryonic growth of M<sub>13</sub> icosahedra in Ag-based alloy superatomic nanoclusters.","Chemical communications (Cambridge, England)","2020","56","91","14203","14206","10.1039/d0cc05575a","","","0.71073","MoKα","","0.1983","0.1218","","","0.3289","0.3725","","","","","","1.222","","","","has coordinates,has disorder","260474","2021-01-04","18:20:22",""
"7127763","10.2134","0.0002","14.0734","0.0003","16.2616","0.0003","100.776","0.002","93.428","0.002","109.092","0.002","2151.38","0.08","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 N4 Si2 -","- C52 H52 N4 Si2 -","- C104 H104 N8 Si4 -","2","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","1.54184","CuKα","","0.0394","0.0359","","","0.0937","0.0969","","","","","","1.025","","","","has coordinates","260475","2021-01-04","18:31:44",""
"7127764","9.8911","0.0003","10.3035","0.0002","10.8066","0.0002","82.034","0.002","64.483","0.002","87.683","0.002","984.09","0.04","123","1","123","1","","","","","","","Pentane","4","P -1","-P 1","2","","","","- C24 H22 N2 Si -","- C24 H22 N2 Si -","- C48 H44 N4 Si2 -","2","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0804","0.0819","","","","","","1.052","","","","has coordinates","260475","2021-01-04","18:31:45",""
"7127765","8.9867","0.0002","11.6858","0.0003","12.4491","0.0003","77.799","0.002","74.843","0.002","78.754","0.002","1219.77","0.05","123","1","123","1","","","","","","","","6","P 1","P 1","1","","","","- C52 H50 Cl2 Li2 N6 Si2 -","- C52 H50 Cl2 Li2 N6 Si2 -","- C52 H50 Cl2 Li2 N6 Si2 -","1","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","0.71073","MoKα","","0.0477","0.0387","","","0.0807","0.085","","","","","","1.02","","","","has coordinates","260475","2021-01-04","18:31:45",""
"7127766","10.5712","0.0001","18.1992","0.0002","27.2894","0.0003","90","","100.784","0.001","90","","5157.42","0.1","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48.7 H45.4 Cl1.4 F12 Li2 N4 P2 Si2 -","- C48.7 H45.4 Cl1.4 F12 Li2 N4 P2 Si2 -","- C194.8 H181.6 Cl5.6 F48 Li8 N16 P8 Si8 -","4","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","1.54184","CuKα","","0.0376","0.0348","","","0.0888","0.091","","","","","","1.022","","","","has coordinates,has disorder","260475","2021-01-04","18:31:46",""
"7157160","14.89204","0.00007","17.25623","0.0001","28.41877","0.00013","90","","98.1145","0.0004","90","","7229.95","0.06","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87 H79 N6 O7 -","- C87 H79 N6 O7 -","- C348 H316 N24 O28 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.072","0.0654","","","0.1818","0.1884","","","","","","1.028","","","","has coordinates,has disorder","247821","2020-10-21","18:00:00",""
"7157161","9.47394","0.00008","19.77494","0.0001","19.02693","0.00013","90","","101.684","0.0008","90","","3490.77","0.04","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 N3 O3 -","- C45 H39 N3 O3 -","- C180 H156 N12 O12 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.0407","0.0367","","","0.0935","0.0963","","","","","","1.024","","","","has coordinates","247821","2020-10-21","18:00:00",""
"7157214","11.118","0.002","7.8299","0.0016","11.76","0.002","90","","111.37","0.03","90","","953.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Yang, Lin-Feng; Shimadate, Yuna; Kato, Atsushi; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Synthesis and glycosidase inhibition of N-substituted derivatives of 1,4-dideoxy-1,4-imino-d-mannitol (DIM).","Organic & biomolecular chemistry","2020","18","5","999","1011","10.1039/c9ob02029b","","","0.71073","MoKα","","0.0323","0.0318","","","0.0758","0.0763","","","","","","1.074","","","","has coordinates","249032","2020-10-21","18:00:00",""
"7157248","15.07","0.0017","11.1664","0.0012","15.3653","0.0017","90","","97.227","0.002","90","","2565.1","0.5","296.15","","296.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Liao, Hui; Zhu, Qiuhua","Water-DMSO-promoted one-pot synthesis of two new series of dihydropyrrolo[2,3-h]quinolines.","Organic & biomolecular chemistry","2020","18","2","215","219","10.1039/c9ob02342a","","","0.71073","MoKα","","0.0982","0.0549","","","0.1493","0.1748","","","","","","1.031","","","","has coordinates","247818","2020-10-21","18:00:00",""
"7157249","7.9585","0.0005","9.424","0.0005","20.5726","0.0013","86.645","0.003","79.638","0.003","84.679","0.003","1509.88","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 B Cl2 F8 N3 P -","- C28 H33 B Cl2 F8 N3 P -","- C56 H66 B2 Cl4 F16 N6 P2 -","2","1","","VanDenburgh, Katherine L.; Liu, Yun; Sadhukhan, Tumpa; Benson, Christopher R.; Cox, Natalie M.; Erbas-Cakmak, Sundus; Qiao, Bo; Gao, Xinfeng; Pink, Maren; Raghavachari, Krishnan; Flood, Amar H.","Multi-state amine sensing by electron transfers in a BODIPY probe.","Organic & biomolecular chemistry","2020","18","3","431","440","10.1039/c9ob02466b","","","0.71073","MoKα","","0.1668","0.0799","","","0.2179","0.2736","","","","","","1.007","","","","has coordinates,has disorder","247832","2020-10-21","18:00:00",""
"7157250","9.914","0.003","12.666","0.005","10.006","0.003","90","","90","","90","","1256.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.2005","0.0627","","","0.097","0.1233","","","","","","1.056","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157251","6.3476","0.0003","13.4188","0.0006","15.2697","0.0007","90","","96.662","0.003","90","","1291.85","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.0794","0.049","","","0.14","0.166","","","","","","0.909","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157252","21.44","0.008","6.442","0.002","30.004","0.009","90","","132.808","0.018","90","","3040.2","1.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F N2 O S -","- C16 H12 Br F N2 O S -","- C128 H96 Br8 F8 N16 O8 S8 -","8","2","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1137","0.0663","","","0.1844","0.2386","","","","","","0.755","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157253","12.881","0.003","19.724","0.004","9.3055","0.0019","90","","101.12","0.03","90","","2319.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 S2 -","- C23 H21 N3 O2 S2 -","- C92 H84 N12 O8 S8 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1951","0.0974","","","0.1191","0.1267","","","","","","1.087","","","","has coordinates,has disorder","247825","2020-10-21","18:00:00",""
"7157254","8.3937","0.0017","9.26","0.0019","13.938","0.003","90.66","0.03","93.39","0.03","95.51","0.03","1076.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22.5 Cl0.5 N3 O3 -","- C25 H22 Cl0.5 N3 O3 -","- C50 H44 Cl N6 O6 -","2","1","","Liu, Jialin; Cao, Jilei; Liu, Rongfang; Li, Ruifeng; Qiao, Yan; Zhou, Rong","Condensation of 1,2-dicarbonyl compounds with modified Huisgen zwitterions: synthesis of N-aryl-N-acyl hydrazones.","Organic & biomolecular chemistry","2020","18","3","530","537","10.1039/c9ob02508a","","","0.71073","MoKα","","0.0863","0.0555","","","0.134","0.1474","","","","","","1.058","","","","has coordinates","247826","2020-10-21","18:00:00",""
"7157255","30.064","0.007","9.445","0.002","15.361","0.004","90","","105.189","0.007","90","","4209.5","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Xu, Qingfeng; Li, Bang; Ma, Yujie; Sun, Fei; Gao, Yanan; Ye, Na","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-HFIP synergistically promoted para-selective sp<sup>3</sup> C-H bond diarylation of glycine esters.","Organic & biomolecular chemistry","2020","18","4","666","670","10.1039/c9ob02489a","","","0.71073","MoKα","","0.0726","0.0568","","","0.1861","0.1978","","","","","","1.474","","","","has coordinates","247808","2020-10-21","18:00:00",""
"7157256","8.6977","0.0004","14.9757","0.0006","10.6125","0.0005","90","","101.554","0.005","90","","1354.31","0.11","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C17H15NO2","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Oshimoto, Kohei; Zhou, Biao; Tsuji, Hiroaki; Kawatsura, Motoi","Synthesis of substituted benzo[b][1,4]oxazepine derivatives by the reaction of 2-aminophenols with alkynones.","Organic & biomolecular chemistry","2020","18","3","415","419","10.1039/c9ob02450f","","x-ray","0.71073","MoKα","","0.0606","0.0454","","","0.104","0.1124","","","","","","1.027","","","","has coordinates","247829","2020-10-21","18:00:00",""
"7157257","10.245","0.0002","10.9607","0.0002","11.1338","0.0007","74.014","0.005","74.695","0.005","72.702","0.005","1124.73","0.09","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N5 O5 -","- C23 H23 N5 O5 -","- C46 H46 N10 O10 -","2","1","","Karahan, Seda; Tanyeli, Cihangir","Bifunctional squaramide catalyzed stereoselective Mannich reaction of α-azido ketones with isatin-derived ketimines.","Organic & biomolecular chemistry","2020","18","3","479","487","10.1039/c9ob02208b","","","0.71075","MoKα","","0.0633","0.0588","","","0.153","0.1599","","","","","","1.0697","","","","has coordinates","276355","2022-06-28","16:55:32",""
"7157258","16.7456","0.0005","16.7456","0.0005","13.5915","0.0009","90","","90","","90","","3811.3","0.3","293","2","293.15","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C22 H19 Cl N O4 -","- C22 H19 Cl N O4 -","- C176 H152 Cl8 N8 O32 -","8","1","","Jiang, Xue-Fei; Tan, Hao; Cui, Hai-Lei","FeCl<sub>3</sub> mediated dimerization of dihydropyrrolo[2,1-a]isoquinolines and chlorination of tetrasubstituted pyrroles.","Organic & biomolecular chemistry","2020","18","4","660","665","10.1039/c9ob02607j","","x-ray","1.54184","CuKα","","0.0762","0.0433","","","0.0878","0.1038","","","","","","0.994","","","","has coordinates","247809","2020-10-21","18:00:00",""
"7157259","6.8732","0.0003","16.6383","0.0007","16.3749","0.0007","90","","91.708","0.001","90","","1871.77","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Kruschel, Ryan D.; Buzid, Alyah; Khandavilli, Udaya B Rao; Lawrence, Simon E.; Glennon, Jeremy D.; McCarthy, Florence O.","Isoquinolinequinone N-oxides as anticancer agents effective against drug resistant cell lines.","Organic & biomolecular chemistry","2020","18","3","557","568","10.1039/c9ob02441g","","","0.71073","MoKα","","0.0558","0.0421","","","0.1127","0.1241","","","","","","1.036","","","","has coordinates","247831","2020-10-21","18:00:00",""
"7157260","7.185","0.0014","10","0.002","15.059","0.003","90","","90","","90","","1082","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 K O9 S -","- C6 H12.697 K O9 S -","- C24 H50.788 K4 O36 S4 -","4","1","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.710757","Synchrotron","","0.1384","0.0746","","","0.1829","0.2177","","","","","","1.038","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157261","6.936","0.0014","15.065","0.003","9.817","0.002","90","","90.38","0.03","90","","1025.8","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Na O9 S -","- C6 H12.3295 Na O9 S -","- C24 H49.318 Na4 O36 S4 -","4","2","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.799895","Synchrotron","","0.0739","0.0713","","","0.1696","0.1718","","","","","","1.069","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157262","5.7496","0.0011","11.342","0.002","12.287","0.003","92.62","0.03","95.69","0.03","94.25","0.03","794","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","","Yang, Shichao; Li, Hongji; Li, Pinhua; Yang, Jingya; Wang, Lei","Room temperature iron(ii)-catalyzed radical cyclization of unsaturated oximes with hypervalent iodine reagents.","Organic & biomolecular chemistry","2020","18","4","715","724","10.1039/c9ob02424g","","","0.71073","MoKα","","0.0647","0.0466","","","0.1114","0.1222","","","","","","1.034","","","","has coordinates","247814","2020-10-21","18:00:00",""
"7157263","7.471","0.013","8.149","0.014","13.09","0.02","91.378","0.019","105.627","0.019","115.663","0.017","683","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F2 N2 O -","- C16 H12 F2 N2 O -","- C32 H24 F4 N4 O2 -","2","1","","Xie, Xiaojuan; Zhang, Yifang; Hao, Jian; Wan, Wen","Ag-Catalyzed minisci C-H difluoromethylarylation of N-heteroarenes.","Organic & biomolecular chemistry","2020","18","3","400","404","10.1039/c9ob02586c","","","0.71073","MoKα","","0.0473","0.0375","","","0.1004","0.109","","","","","","1.059","","","","has coordinates","247828","2020-10-21","18:00:00",""
"7157264","7.5028","0.001","10.3065","0.001","17.339","0.002","90","","93.209","0.011","90","","1338.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Bhattacherjee, Dhananjay; Shaifali, ?; Kumar, Ajay; Sharma, Ajay; Purohit, Rituraj; Das, Pralay","Iodine(iii) promoted ring-rearrangement reaction of 1-arylamino-2-oxocyclopentane-1-carbonitriles to synthesize N-aryl-δ-valerolactams.","Organic & biomolecular chemistry","2020","18","4","745","749","10.1039/c9ob02598g","","x-ray","1.54184","CuKα","","0.1436","0.0934","","","0.2885","0.4097","","","","","","1.639","","","","has coordinates","247805","2020-10-21","18:00:00",""
"7157265","7.7797","0.0003","13.9645","0.0007","21.3823","0.001","90","","90","","90","","2322.96","0.18","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O4 -","- C28 H36 O4 -","- C112 H144 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0402","0.0367","","","0.0913","0.0941","","","","","","1.046","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157266","11.3526","0.0007","7.2237","0.0003","19.7666","0.0012","90","","104.982","0.006","90","","1565.91","0.16","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C68 H96 O8 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0513","0.0417","","","0.0957","0.1028","","","","","","1.038","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157267","21.7423","0.0015","7.1223","0.0005","19.5816","0.0014","90","","101.416","0.007","90","","2972.3","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C136 H192 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0746","0.0556","","","0.1165","0.138","","","","","","1.098","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157268","8.4637","0.0004","7.4511","0.0003","47.1253","0.0017","90","","90.048","0.004","90","","2971.9","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C136 H208 O8 -","4","2","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0675","0.0492","","","0.1042","0.1143","","","","","","1.053","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157269","13.1096","0.0016","6.5478","0.0007","34.244","0.004","90","","95.486","0.011","90","","2926","0.6","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H47 O4 -","- C34 H47 O4 -","- C136 H188 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0741","0.0539","","","0.1275","0.1398","","","","","","1.045","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157270","7.4753","0.0005","8.3777","0.0007","23.7615","0.0017","90","","97.224","0.006","90","","1476.27","0.19","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C68 H104 O4 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0736","0.0527","","","0.1152","0.1417","","","","","","1.057","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157271","11.0864","0.0019","12.741","0.002","12.895","0.002","87.097","0.004","76.513","0.004","70.713","0.003","1671.1","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 B F2 N5 O -","- C38 H40 B F2 N5 O -","- C76 H80 B2 F4 N10 O2 -","2","1","","Zhang, Yuandong; Zheng, Xiaohua; Zhang, Liping; Yang, Zhiyu; Chen, Li; Wang, Lei; Liu, Shi; Xie, Zhigang","Red fluorescent pyrazoline-BODIPY nanoparticles for ultrafast and long-term bioimaging.","Organic & biomolecular chemistry","2020","18","4","707","714","10.1039/c9ob02373a","","","0.71073","MoKα","","0.1335","0.0697","","","0.197","0.2496","","","","","","0.972","","","","has coordinates","247806","2020-10-21","18:00:00",""
"7157272","11.6688","0.0003","10.6008","0.0003","31.1741","0.0009","90","","100.107","0.003","90","","3796.35","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O2 S -","- C18 H23 N3 O2 S -","- C144 H184 N24 O16 S8 -","8","2","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.0638","0.0564","","","0.1439","0.1515","","","","","","1.038","","","","has coordinates,has disorder","247811","2020-10-21","18:00:00",""
"7157273","19.232","0.0003","11.92476","0.00017","23.5435","0.0004","90","","90","","90","","5399.4","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H38 N6 O2 -","- C27 H38 N6 O2 -","- C216 H304 N48 O16 -","8","1","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.054","0.0435","","","0.1067","0.1146","","","","","","1.037","","","","has coordinates","247811","2020-10-21","18:00:00",""
"7157274","8.0852","0.0007","7.8019","0.0006","21.7718","0.0019","90","","97.796","0.003","90","","1360.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","EIT_DB_004_01","","","- C16 H11 F N2 O2 -","- C16 H11 F N2 O2 -","- C64 H44 F4 N8 O8 -","4","1","","Eitzinger, Andreas; Brière, Jean-François; Cahard, Dominique; Waser, Mario","Enantioselective catalytic synthesis of α-aryl-α-SCF<sub>3</sub>-β<sup>2,2</sup>-amino acids.","Organic & biomolecular chemistry","2020","18","3","405","408","10.1039/c9ob02666e","","","0.71073","MoKα","","0.0523","0.0417","","","0.0993","0.1099","","","","","","1.068","","","","has coordinates","247827","2020-10-21","18:00:00",""
"7157275","5.5128","0.0006","14.1945","0.0018","20.649","0.003","90","","90","","90","","1615.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Zhou, Hui; Wang, Rui; Zhang, Hui; Chen, Wei; Lu, Xiao-Bing","Access to 1,3-oxazine-2,4-diones/1,3-thiazine-2,4-diones via organocatalytic CO<sub>2</sub>/COS incorporation into allenamides.","Organic & biomolecular chemistry","2020","18","5","905","911","10.1039/c9ob02398d","","","0.71073","MoKα","","0.1723","0.0643","","","0.1311","0.1734","","","","","","0.964","","","","has coordinates","249033","2020-10-21","18:00:00",""
"7157276","10.31491","0.00015","22.9483","0.0003","13.02398","0.00018","90","","101.4","0.0014","90","","3022.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F N2 O6 -","- C32 H33 F N2 O6 -","- C128 H132 F4 N8 O24 -","4","1","","Han, Ruiping; Ding, Yue; Jin, Xueke; Li, Er-Qing","Silver/palladium relay catalyzed 1,3-dipole annulation/allylation reactions to access fully substituted allyl imidazolidines.","Organic & biomolecular chemistry","2020","18","4","646","649","10.1039/c9ob02633a","","x-ray","1.54184","CuKα","","0.0676","0.0503","","","0.1388","0.1541","","","","","","1.045","","","","has coordinates","247812","2020-10-21","18:00:00",""
"7157277","13.9043","0.0005","10.8551","0.0004","20.2244","0.0007","90","","90","","90","","3052.52","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C152 H104 N8 O40 -","8","1","","Lei, Chuan-Wen; Zhang, Chuan-Bao; Wang, Zhen-Hua; Xie, Ke-Xin; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Coumarin-3-formylpyrazoles as 3-carbon synthons in cyclocondensation for the synthesis of spiro-fused pentacyclic spirooxindoles.","Organic & biomolecular chemistry","2020","18","5","845","850","10.1039/c9ob02434d","","x-ray","1.54184","CuKα","","0.0543","0.0446","","","0.1149","0.1253","","","","","","1.028","","","","has coordinates","249031","2020-10-21","18:00:00",""
"7157278","12.7729","0.0017","16.694","0.002","14.8793","0.0019","90","","104.131","0.003","90","","3076.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N3 O6 S -","- C27 H31 N3 O6 S -","- C108 H124 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0728","0.0506","","","0.1322","0.1441","","","","","","1.018","","","","has coordinates,has disorder","247819","2020-10-21","18:00:00",""
"7157279","10.0889","0.0002","23.6964","0.0006","11.1762","0.0003","90","","91.175","0.001","90","","2671.34","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N3 O6 S -","- C26 H29 N3 O6 S -","- C104 H116 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0788","0.0588","","","0.1505","0.1683","","","","","","1.038","","","","has coordinates","247819","2020-10-21","18:00:00",""
"7157280","9.037","0.002","11.821","0.003","17.193","0.004","83.149","0.003","77.073","0.002","69.039","0.003","1670.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N4 O2 -","- C38 H52 N4 O2 -","- C76 H104 N8 O4 -","2","1","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.1173","0.0783","","","0.2595","0.3108","","","","","","1.066","","","","has coordinates","247817","2020-10-21","18:00:00",""
"7157281","13.492","0.002","22.47","0.002","14.213","0.001","90","","99.15","0.01","90","","4254.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 Cl2 Cu N8 O12 -","- C88 H128 Cl2 Cu N8 O12 -","- C176 H256 Cl4 Cu2 N16 O24 -","2","0.5","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.0888","0.0671","","","0.1766","0.1918","","","","","","1.018","","","","has coordinates","247817","2020-10-21","18:00:00",""
"7157282","18.2004","0.0005","12.6594","0.0002","19.4388","0.0005","90","","121.245","0.003","90","","3829.2","0.2","180","2","180.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C128 H136 F48 N8 O32 S8 -","4","0.5","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.063","0.0584","","","0.1835","0.1915","","","","","","1.053","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157283","8.68201","0.00013","18.7358","0.0003","25.4056","0.0004","90","","97.5197","0.0014","90","","4097.05","0.11","180","2","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F12 N2 O8 S2 -","- C36 H42 F11.9997 N2 O8 S2 -","- C144 H168 F47.9988 N8 O32 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.086","0.0757","","","0.2015","0.2133","","","","","","1.056","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157284","9.6208","0.0002","17.3037","0.0004","25.0189","0.0004","90","","94.432","0.002","90","","4152.58","0.15","180","2","180.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F12 N2 O10 S2 -","- C36 H38 F12 N2 O10 S2 -","- C144 H152 F48 N8 O40 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.1096","0.0883","","","0.2357","0.2567","","","","","","1.073","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157285","9.8217","0.0005","10.9991","0.0007","18.8342","0.0012","83.763","0.005","77.823","0.005","73.022","0.005","1899.8","0.2","180","2","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C64 H68 F24 N4 O16 S4 -","2","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.0745","0.059","","","0.1536","0.1696","","","","","","1.054","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157286","10.295","0.0015","15.616","0.002","14.892","0.002","90","","108.857","0.004","90","","2265.6","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br N O2 S -","- C28 H20 Br N O2 S -","- C112 H80 Br4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0447","0.0339","","","0.086","0.0914","","","","","","1.031","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157287","10.4998","0.0008","13.3726","0.0011","15.4288","0.0012","79.55","0.002","70.858","0.002","76.176","0.002","1974.7","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O3 S -","- C23 H18 Cl N O3 S -","- C92 H72 Cl4 N4 O12 S4 -","4","2","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.039","0.0339","","","0.0847","0.0882","","","","","","1.033","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157288","5.2987","0.0011","12.768","0.003","14.845","0.003","88.429","0.005","82.358","0.006","86.33","0.006","993.2","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O2 S -","- C23 H18 Cl N O2 S -","- C46 H36 Cl2 N2 O4 S2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0629","0.0439","","","0.1","0.1102","","","","","","1.026","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157289","9.6174","0.0007","10.1886","0.0007","11.7888","0.0009","95.003","0.002","107.482","0.002","111.455","0.002","999.86","0.13","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cl N O -","- C28 H18 Cl N O -","- C56 H36 Cl2 N2 O2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0401","0.033","","","0.081","0.0864","","","","","","1.031","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157290","16.3487","0.0018","9.1325","0.001","16.747","0.002","90","","106.046","0.003","90","","2403","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N O2 S -","- C29 H22 Cl N O2 S -","- C116 H88 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0396","0.0337","","","0.0853","0.0905","","","","","","1.032","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157291","10.2889","0.0009","15.5258","0.0012","14.8833","0.0012","90","","108.961","0.002","90","","2248.5","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl N O2 S -","- C28 H20 Cl N O2 S -","- C112 H80 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0469","0.035","","","0.0819","0.0899","","","","","","1.06","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157292","10.1684","0.0006","15.8049","0.001","15.003","0.0012","90","","109.404","0.002","90","","2274.2","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C116 H92 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0448","0.0361","","","0.0869","0.0937","","","","","","1.024","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157293","7.14999","0.00013","12.6963","0.0002","20.1516","0.0004","90","","90","","90","","1829.33","0.06","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0371","0.0369","","","0.0965","0.0967","","","","","","1.015","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7157294","8.009","0.0004","8.009","0.0004","49.0398","0.0013","90","","90","","120","","2724.2","0.2","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C120 H156 O18 S6 -","6","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0358","0.0357","","","0.0902","0.0903","","","","","","1.176","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7157295","9.0717","0.0001","15.9713","0.0002","9.9969","0.0001","90","","99.008","0.001","90","","1430.56","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wen, Li-Rong; Ren, Guang-Yi; Geng, Rui-Sen; Zhang, Lin-Bao; Li, Ming","Fast construction of isoquinolin-1(2H)-ones by direct intramolecular C-H/N-H functionalization under metal-free conditions.","Organic & biomolecular chemistry","2020","18","2","225","229","10.1039/c9ob02430a","","x-ray","1.54184","CuKα","","0.0495","0.0472","","","0.1171","0.119","","","","","","1.039","","","","has coordinates","247820","2020-10-21","18:00:00",""
"7157296","10.2856","0.0005","13.4694","0.0006","11.2174","0.0005","90","","90.662","0.004","90","","1553.96","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Chen, Weiqiang; Li, Hui-Jing; Li, Qin-Ying; Wu, Yan-Chao","Direct oxidative coupling of N-acyl pyrroles with alkenes by ruthenium(ii)-catalyzed regioselective C2-alkenylation.","Organic & biomolecular chemistry","2020","18","3","500","513","10.1039/c9ob02421b","","x-ray","1.54184","CuKα","","0.0478","0.0393","","","0.1066","0.117","","","","","","1.02","","","","has coordinates","247833","2020-10-21","18:00:00",""
"7157297","18.5372","0.0006","18.5372","0.0006","10.495","0.0004","90","","90","","90","","3606.4","0.2","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C144 H144 Br8 N8 O32 S8 -","8","1","","Das, Jonali; Borah, Biraj Jyoti; Das, Sajal Kumar","Base-mediated intramolecular one-pot double-cyclization of epoxide-tethered 2-fluorobenzenesulfonamides: an avenue to 1,4-benzoxazine-fused benzothiaoxazepine-1,1-dioxides.","Organic & biomolecular chemistry","2020","18","2","220","224","10.1039/c9ob02377a","","","0.71073","MoKα","","0.0432","0.0292","","","0.0558","0.061","","","","","","1.034","","","","has coordinates","247822","2020-10-21","18:00:00",""
"7157298","10.3896","0.0008","10.1601","0.0012","17.175","0.003","90","","102.57","0.008","90","","1769.5","0.4","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5-dimethyl-12-phenylindolo[2,1-a]isoquinolin-6(5H)-one","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Gao, Xiaoshuang; Li, Chengyang; Yuan, Yao; Xie, Xiaomin; Zhang, Zhaoguo","Visible-light-induced intramolecular radical cascade of α-bromo-N-benzyl-alkylamides: a new strategy to synthesize tetracyclic N-fused indolo[2,1-a]isoquinolin-6(5H)-ones.","Organic & biomolecular chemistry","2020","18","2","263","271","10.1039/c9ob02294e","","","1.54178","CuKα","","0.0502","0.0439","","","0.1152","0.1209","","","","","","1.053","","","","has coordinates","247816","2020-10-21","18:00:00",""
"7157299","10.2533","0.0009","29.303","0.002","10.6278","0.001","90","","116.562","0.002","90","","2856.1","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Br2 Cl N2 O2 S -","- C31 H25 Br2 Cl N2 O2 S -","- C124 H100 Br8 Cl4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.0864","0.0503","","","0.0925","0.1032","","","","","","1.013","","","","has coordinates","247823","2020-10-21","18:00:00",""
"7157300","7.571","0.003","13.464","0.004","20.373","0.007","90","","99.227","0.01","90","","2049.9","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br2 N O -","- C24 H19 Br2 N O -","- C96 H76 Br8 N4 O4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.1459","0.0805","","","0.1836","0.2111","","","","","","1.052","","","","has coordinates","247823","2020-10-21","18:00:00",""
"7157301","10.5551","0.0008","10.5551","0.0008","18.9321","0.0014","90","","90","","90","","2109.2","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.0914","0.0654","","","0.1686","0.1841","","","","","","1.034","","","","has coordinates","249029","2020-10-21","18:00:00",""
"7157302","18.3138","0.001","10.0679","0.0006","11.1281","0.0006","90","","102.629","0.002","90","","2002.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.1058","0.0674","","","0.1498","0.166","","","","","","1.085","","","","has coordinates","249029","2020-10-21","18:00:00",""
"7157303","11.6501","0.0004","10.813","0.0003","16.4196","0.0005","90","","106.886","0.004","90","","1979.24","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Ramanathan, Mani; Wan, Jing; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis of 2-arylamino-3-cyanoquinolines via a cascade reaction through a nitrilium intermediate.","Organic & biomolecular chemistry","2020","18","5","975","982","10.1039/c9ob02427a","","","0.71073","MoKα","","0.0825","0.0599","","","0.1657","0.1887","","","","","","1.003","","","","has coordinates","249028","2020-10-21","18:00:00",""
"7157304","20.3966","0.0005","5.584","0.0001","17.313","0.0004","90","","108.569","0.001","90","","1869.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Liu, Shitao; Li, Jisen; Lin, Junjie; Liu, Fujun; Liu, Teng; Huang, Chao","Substituent-controlled chemoselective synthesis of multi-substituted pyridones via a one-pot three-component cascade reaction.","Organic & biomolecular chemistry","2020","18","6","1130","1134","10.1039/c9ob02456e","","","1.54178","CuKα","","0.0525","0.0429","","","0.1048","0.1122","","","","","","1.053","","","","has coordinates","249038","2020-10-21","18:00:00",""
"7157305","7.7487","0.0017","8.3925","0.0019","21.639","0.005","90","","90","","90","","1407.2","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 I2 N2 -","- C14 H8 I2 N2 -","- C56 H32 I8 N8 -","4","1","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.02","0.0188","","","0.0426","0.0429","","","","","","1.143","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157306","7.7529","0.0006","7.7548","0.0006","23.621","0.002","92.139","0.005","91.463","0.005","118.775","0.003","1242.38","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N3 O2 -","- C13 H8 Cl N3 O2 -","- C52 H32 Cl4 N12 O8 -","4","2","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.0611","0.0386","","","0.0988","0.1099","","","","","","2.079","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157307","11.3336","0.0002","16.1275","0.0003","18.2549","0.0003","90","","90","","90","","3336.68","0.1","299.99","0.1","299.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Yu, Jiang-Hong; Zhao, Heng; Dong, Ying-Ying; Peng, Qiu-Shi; Zhang, Bao-Bao; Wang, Hao","Biomimetic total syntheses of baefrutones A-D, baeckenon B, and frutescones A, D-F.","Organic & biomolecular chemistry","2020","18","6","1135","1139","10.1039/c9ob02490e","","x-ray","1.54184","CuKα","","0.0551","0.0462","","","0.1338","0.1448","","","","","","1.057","","","","has coordinates","249035","2020-10-21","18:00:00",""
"7157308","8.8523","0.0004","10.231","0.0005","14.4737","0.0006","79.614","0.002","82.176","0.002","76.804","0.002","1249.14","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C54 H52 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","0.71073","MoKα","","0.0565","0.0428","","","0.1053","0.1158","","","","","","1.021","","","","has coordinates","249040","2020-10-21","18:00:00",""
"7157309","10.1845","0.0006","12.6592","0.0008","12.8148","0.0008","62.147","0.002","77.425","0.002","70.019","0.002","1369.49","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Br N2 O6 S -","- C28 H29 Br N2 O6 S -","- C56 H58 Br2 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","1.34139","GaKα","","0.0513","0.0467","","","0.1144","0.1165","","","","","","1.16","","","","has coordinates,has disorder","249040","2020-10-21","18:00:00",""
"7157310","8.917","0.0009","10.2917","0.0009","11.1275","0.0008","73.236","0.005","67.643","0.005","65.564","0.006","849.34","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C42 H32 Br2 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0466","0.0345","","","0.0986","0.1128","","","","","","1.113","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157311","25.659","0.003","8.057","0.0007","18.4834","0.0017","90","","114.978","0.004","90","","3463.8","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br Cl N O2 -","- C20 H13 Br Cl N O2 -","- C160 H104 Br8 Cl8 N8 O16 -","8","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.065","0.0409","","","0.0874","0.0965","","","","","","1.052","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157312","9.7191","0.0017","10.2939","0.0019","10.63","0.002","61.607","0.006","63.029","0.005","87.604","0.006","813.1","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0879","0.05","","","0.1208","0.1546","","","","","","1.067","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157313","14.0204","0.001","7.9073","0.0005","22.6326","0.0016","90","","103.22","0.007","90","","2442.6","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H4 F8 N2 O -","- C12 H4 F8 N2 O -","- C96 H32 F64 N16 O8 -","8","1","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0443","0.036","","","0.0855","0.0912","","","","","","1.041","","","","has coordinates","249039","2020-10-21","18:00:00",""
"7157314","10.9802","0.0018","11.6601","0.0011","10.2792","0.0018","90","","114.43","0.02","90","","1198.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 F6 N2 O -","- C12 H6 F6 N2 O -","- C48 H24 F24 N8 O4 -","4","0.5","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0459","0.0402","","","0.1021","0.1073","","","","","","1.017","","","","has coordinates","249039","2020-10-21","18:00:00",""
"7157315","18.4757","0.0012","9.7925","0.0005","18.6956","0.0013","90","","90","","90","","3382.5","0.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","4-IODO-1-(4-METHOXYPHENYL)-2-(4-NITROPHENYL)-1H-PYRROLE-3-CARBADEHYDE","","- C17 H10 Cl I N2 O3 S0 -","- C17 H10 Cl I N2 O3 -","- C136 H80 Cl8 I8 N16 O24 -","8","2","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0804","0.0452","","","0.0987","0.1215","","","","","","1.029","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157316","6.6656","0.0007","19.4376","0.0015","13.2403","0.0013","90","","104.291","0.011","90","","1662.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl2 I N O -","- C17 H10 Cl2 I N O -","- C68 H40 Cl8 I4 N4 O4 -","4","1","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0575","0.0383","","","0.0853","0.099","","","","","","1.069","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157317","12.1732","0.0005","12.4347","0.0004","21.2275","0.0007","106.423","0.003","90.464","0.003","90.866","0.003","3081.5","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","cage rearranged ketone","(1R,5S,6aS,8R)-8-methoxy-2a-methyl-4-phenyloctahydro-1,4,5-(epiethane[1,1,2]triyl)cyclopenta[cd]pentalen-2(1H)-one","","- C80 H88 O8 -","- C80 H88 O8 -","- C160 H176 O16 -","2","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.1132","0.0689","","","0.1438","0.1835","","","","","","1.043","","","","has coordinates","249043","2020-10-21","18:00:00",""
"7157318","6.586","0.0004","17.7133","0.001","10.0216","0.0008","90","","92.235","0.007","90","","1168.23","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cage ketone","methyl 4,5a-dimethyl-5-oxooctahydro-1H-1,3-methanocyclobuta[cd]pentalene-6-carboxylate","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.0777","0.0558","","","0.1268","0.1468","","","","","","1.041","","","","has coordinates","249043","2020-10-21","18:00:00",""
"7157319","9.3585","0.0001","13.5874","0.0001","17.4681","0.0001","103.374","0.001","91.665","0.001","93.433","0.001","2154.98","0.03","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F N O2 -","- C12 H10 F N O2 -","- C96 H80 F8 N8 O16 -","8","4","","Kazia, Armands; Melngaile, Renate; Mishnev, Anatoly; Veliks, Janis","Johnson-Corey-Chaykovsky fluorocyclopropanation of double activated alkenes: scope and limitations.","Organic & biomolecular chemistry","2020","18","7","1384","1388","10.1039/c9ob02712b","","","1.54184","CuKα","","0.0537","0.0512","","","0.1593","0.1626","","","","","","1.058","","","","has coordinates","249044","2020-10-21","18:00:00",""
"7157320","18.542","0.0012","4.0333","0.0003","22.2351","0.0015","90","","138.944","0.001","90","","1092.17","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br F N2 -","- C13 H8 Br F N2 -","- C52 H32 Br4 F4 N8 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0287","0.0228","","","0.0547","0.0573","","","","","","1.0206","","","","has coordinates","249045","2020-10-21","18:00:00",""
"7157321","3.8943","0.0001","25.4059","0.0006","10.7978","0.0003","90","","98.16","0.001","90","","1057.5","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-3-fluoro-pyrazolo[1,5-a]pyridazine","","- C12 H7 Br F N3 -","- C12 H7 Br F N3 -","- C48 H28 Br4 F4 N12 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0301","0.0235","","","0.0523","0.0554","","","","","","1.06","","","","has coordinates","249045","2020-10-21","18:00:00",""
"7157322","7.5569","0.0007","7.5729","0.0006","15.4076","0.0014","90","","101.729","0.009","90","","863.33","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","","Bhattacharyya, Dipanjan; Nandi, Sekhar; Adhikari, Priyanka; Sarmah, Bikash Kumar; Konwar, Monuranjan; Das, Animesh","Boric acid catalyzed chemoselective reduction of quinolines.","Organic & biomolecular chemistry","2020","18","6","1214","1220","10.1039/c9ob02673h","","","0.71073","MoKα","","0.069","0.0528","","","0.1192","0.1387","","","","","","1.139","","","","has coordinates","249034","2020-10-21","18:00:00",""
"7157323","16.1406","0.0008","12.8442","0.0006","10.0734","0.0005","90","","97.501","0.004","90","","2070.48","0.18","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H26 O3 -","- C29 H26 O3 -","- C116 H104 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.036","0.0348","","","0.0895","0.0906","","","","","","1.064","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157324","14.3416","0.0004","11.0113","0.0003","14.5008","0.0004","90","","105.056","0.003","90","","2211.35","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C120 H104 O20 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","1.54184","CuKα","","0.05","0.0457","","","0.1227","0.1268","","","","","","1.046","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157325","10.771","0.0005","12.5336","0.0005","17.4579","0.0007","90","","106.903","0.005","90","","2254.99","0.18","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O3 -","- C31 H28 O3 -","- C124 H112 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0685","0.0514","","","0.1114","0.1217","","","","","","1.024","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157326","11.8871","0.0003","12.0988","0.0004","18.3739","0.0007","92.252","0.003","102.556","0.003","100.001","0.003","2531.96","0.15","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","2","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0749","0.0553","","","0.1243","0.1389","","","","","","1.004","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157327","6.28259","0.0001","18.0959","0.0003","34.9828","0.0009","89.6453","0.0018","89.8577","0.0016","83.5587","0.0015","3951.98","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C200 H208 O32 -","8","4","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0921","0.0744","","","0.1964","0.2047","","","","","","1.104","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157328","12.8119","0.0003","20.5439","0.0004","11.4704","0.0002","90","","101.082","0.0009","90","","2962.79","0.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cl2 N O2 P -","- C35 H24 Cl2 N O2 P -","- C140 H96 Cl8 N4 O8 P4 -","4","1","","Gorre, Ramesh; Enagandhula, Damodar; Balasubramanian, Sridhar; Akondi, Srirama Murthy","Visible-light-driven metal-free aerobic synthesis of highly diastereoselective phosphinoylpyrroloindoles.","Organic & biomolecular chemistry","2020","18","7","1354","1358","10.1039/c9ob02730k","","","0.71073","MoKα","","0.1023","0.0596","","","0.132","0.154","","","","","","1.05","","","","has coordinates","249042","2020-10-21","18:00:00",""
"7157329","4.8228","0.0004","15.0261","0.0016","15.5936","0.0015","88.598","0.008","88.036","0.006","82.569","0.007","1119.66","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 Na O8 S -","- C19 H32 Na O8 S -","- C38 H64 Na2 O16 S2 -","2","1","","Bencivenni, Grazia; Moccia, Maria; Ravelli, Andrea; Gillick-Healy, Malachi W; Kelly, Brian G.; Adamo, Mauro F. A.","First enantioselective synthesis of gingesulfonic acids and unequivocal determination of their absolute stereochemistry.","Organic & biomolecular chemistry","2020","18","6","1091","1094","10.1039/c9ob02662b","","x-ray","1.54178","CuKα","","0.1298","0.1107","","","0.299","0.3125","","","","","","1.094","","","","has coordinates,has disorder","249041","2020-10-21","18:00:00",""
"7157330","7.345","0.005","7.435","0.006","11.625","0.009","74.87","0.03","89.96","0.03","65.91","0.03","555.4","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C22 H20 N8 O4 -","2","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.1495","0.093","","","0.2128","0.2433","","","","","","1.126","","","","has coordinates,has disorder","249022","2020-10-21","18:00:00",""
"7157331","11.5238","0.001","9.5869","0.0009","12.6216","0.0011","90","","106.002","0.003","90","","1340.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 I N3 -","- C13 H14 I N3 -","- C52 H56 I4 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0453","0.0307","","","0.07","0.077","","","","","","1.048","","","","has coordinates","249022","2020-10-21","18:00:00",""
"7157332","14.409","0.002","7.2189","0.001","17.976","0.003","90","","107.935","0.007","90","","1779","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N3 -","- C20 H18 F3 N3 -","- C80 H72 F12 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0642","0.0461","","","0.1283","0.1431","","","","","","1.027","","","","has coordinates,has disorder","249022","2020-10-21","18:00:00",""
"7157333","8.564","0.004","22.313","0.011","25.094","0.012","90","","93.048","0.007","90","","4788","4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 -","- C13 H15 N3 -","- C208 H240 N48 -","16","4","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.2051","0.069","","","0.1283","0.1726","","","","","","0.998","","","","has coordinates","249022","2020-10-21","18:00:00",""
"7157334","5.6493","0.0002","14.4444","0.0007","21.6781","0.0009","90","","90","","90","","1768.95","0.13","297.6","0.1","297.6","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl F3 O4 -","- C16 H16 Cl F3 O4 -","- C64 H64 Cl4 F12 O16 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.083","0.0765","","","0.1951","0.2084","","","","","","1.034","","","","has coordinates,has disorder","249025","2020-10-21","18:00:00",""
"7157335","17.4373","0.0011","5.6433","0.0003","16.0752","0.0009","90","","103.086","0.006","90","","1540.78","0.16","157","10","157","10","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C14 H15 F3 O4 S -","- C14 H15 F3 O4 S -","- C56 H60 F12 O16 S4 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.0851","0.0831","","","0.222","0.2261","","","","","","1.052","","","","has coordinates","249025","2020-10-21","18:00:00",""
"7157336","18.0169","0.0004","19.1954","0.0005","9.2687","0.0002","90","","90","","90","","3205.5","0.13","173","0.1","173","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C31 H34 B Cl2 Co F4 N P S -","- C31 H34 B Cl2 Co F4 N P S -","- C124 H136 B4 Cl8 Co4 F16 N4 P4 S4 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0608","0.052","","","0.1146","0.1241","","","","","","1.107","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157337","23.4012","0.0007","23.4012","0.0007","5.73617","0.00017","90","","90","","120","","2720.38","0.14","173","0.1","173","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C14 H3 N2 O -","- C14 H3 N2 O -","- C126 H27 N18 O9 -","9","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0746","0.0682","","","0.1882","0.2135","","","","","","1.102","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157338","17.739","0.0004","10.70121","0.00019","33.541","0.0007","90","","90","","90","","6367","0.2","172.99","0.1","172.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C272 H296 B8 Co8 F32 N16 P8 S8 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0742","0.0608","","","0.147","0.1681","","","","","","1.145","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157339","10.6986","0.0005","11.3012","0.0005","14.4283","0.0006","81.323","0.003","89.73","0.003","61.927","0.002","1517.22","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","2","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0708","0.0446","","","0.1081","0.1287","","","","","","1.027","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157340","7.48","0.006","10.122","0.007","15.888","0.011","90","","96.16","0.03","90","","1196","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0555","0.0422","","","0.105","0.1197","","","","","","1.068","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157341","6.928","0.0002","10.494","0.0003","15.399","0.0004","90","","102.976","0.001","90","","1090.96","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0738","0.0622","","","0.1624","0.18","","","","","","1.092","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157342","8.0885","0.0016","14.698","0.003","8.985","0.0018","90","","101.21","0.03","90","","1047.8","0.4","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'S,3R,3'S)-3'-(2-Bromophenyl)-1''-phenyldispiro[indoline-3,1'-cyclopropane-2',3''-pyrrolidine]-2,4'',5''-trione","","- C25 H17 Br N2 O3 -","- C25 H17 Br N2 O3 -","- C50 H34 Br2 N4 O6 -","2","1","","Wen, Jiang-Bo; Du, Da-Ming","Squaramide-catalysed asymmetric cascade reactions of 2,3-dioxopyrrolidines with 3-chlorooxindoles.","Organic & biomolecular chemistry","2020","18","8","1647","1656","10.1039/c9ob02663k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.082","","","","has coordinates","249020","2020-10-21","18:00:00",""
"7157343","9.5271","0.0002","15.9359","0.0002","18.6928","0.0004","81.305","0.001","75.309","0.002","88.641","0.001","2713.35","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 Br2 N2 O6 -","- C60 H60 Br2 N2 O6 -","- C120 H120 Br4 N4 O12 -","2","1","","Zhao, Mei-Xin; Xiang, Juan; Zhao, Zi-Qiang; Zhao, Xiao-Li; Shi, Min","Asymmetric synthesis of dihydrocoumarins via catalytic sequential 1,6-addition/transesterification of α-isocyanoacetates with para-quinone methides.","Organic & biomolecular chemistry","2020","18","8","1637","1646","10.1039/c9ob02652e","","","1.54184","CuKα","","0.0618","0.0548","","","0.1376","0.1416","","","","","","1.095","","","","has coordinates,has disorder","249021","2020-10-21","18:00:00",""
"7157344","11.1329","0.0004","11.9307","0.0005","17.5044","0.0007","79.39","0.003","89.757","0.002","77.142","0.003","2226.3","0.16","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","5-Azaindole","methyl 1-benzyl-4-(1-benzyl-1H-pyrrol-2-yl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylate","","- C27 H23 N3 O2 -","- C54 H42 N6 O4 -","- C108 H84 N12 O8 -","2","1","","Dudhe, Premansh; Venkatasubbaiah, Krishnan; Pathak, Biswarup; Chelvam, Venkatesh","Serendipitous base catalysed condensation-heteroannulation of iminoesters: a regioselective route to the synthesis of 4,6-disubstituted 5-azaindoles.","Organic & biomolecular chemistry","2020","18","8","1582","1587","10.1039/c9ob02657f","","","0.71073","MoKα","","0.1432","0.0668","","","0.1757","0.2216","","","","","","1.013","","","","has coordinates","249026","2020-10-21","18:00:00",""
"7157345","20.236","0.012","5.793","0.003","14.906","0.008","90","","90","","90","","1747.4","1.7","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.0556","0.0472","","","0.1115","0.1172","","","","","","1.011","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157346","9.842","0.004","9.949","0.004","11.468","0.005","100.231","0.006","105.032","0.006","95.125","0.004","1056.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10.5 H10.5 N10.5 O10.5 -","- C29 H23 N O -","- C58 H46 N2 O2 -","2","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.093","0.0511","","","0.1321","0.1921","","","","","","0.658","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157347","7.9131","0.0003","9.8841","0.0005","26.9679","0.0012","90","","91.765","0.002","90","","2108.26","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Br N O2 S -","- C27 H16 Br N O2 S -","- C108 H64 Br4 N4 O8 S4 -","4","1","","Zhou, Nengneng; Wu, Meixia; Zhang, Man; Zhou, Xiaoqiang; Zhou, Wei","TBPB-initiated cascade cyclization of 3-arylethynyl-[1,1'-biphenyl]-2-carbonitriles with sulfinic acids: access to sulfone-containing cyclopenta[gh]phenanthridines.","Organic & biomolecular chemistry","2020","18","9","1733","1737","10.1039/d0ob00119h","","","0.71073","MoKα","","0.0532","0.0441","","","0.1039","0.1105","","","","","","1.074","","","","has coordinates","257908","2020-10-21","18:00:00",""
"7157348","11.157","0.003","11.335","0.004","13.795","0.004","79.59","0.03","67.45","0.02","60.75","0.014","1405.7","0.8","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Br N O3 -","- C32 H36 Br N O3 -","- C64 H72 Br2 N2 O6 -","2","1","","Nan, Guang-Ming; Li, Xue; Yao, Tian-Yu; Yan, Ting-Xun; Wen, Li-Rong; Li, Ming","InCl<sub>3</sub>-catalyzed 5-exo-dig cyclization/1,6-conjugate addition of N-propargylamides with p-QMs to construct oxazole derivatives.","Organic & biomolecular chemistry","2020","18","9","1780","1784","10.1039/c9ob02651g","","","0.71073","MoKα","","0.0795","0.064","","","0.1122","0.1198","","","","","","1.153","","","","has coordinates","257910","2020-10-21","18:00:00",""
"7157349","7.4928","0.0007","8.7755","0.0011","11.1633","0.0011","84.247","0.009","78.666","0.008","76.675","0.01","699.17","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H21 N -","- C16 H21 N -","- C32 H42 N2 -","2","1","","Ali, Saghir; Gattu, Radhakrishna; Singh, Varun; Mondal, Santa; Khan, Abu T.; Dubey, Gurudutt; Bharatam, P. V.","Reaction behaviour of arylamines with nitroalkenes in the presence of bismuth(iii) triflate: an easy access to 2,3-dialkylquinolines.","Organic & biomolecular chemistry","2020","18","9","1785","1793","10.1039/c9ob02214g","","","0.71073","MoKα","","0.1153","0.0588","","","0.1354","0.1794","","","","","","1.039","","","","has coordinates","257909","2020-10-21","18:00:00",""
"7157350","6.7495","0.0004","24.3185","0.0012","14.4757","0.0009","90","","95.466","0.003","90","","2365.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","2","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","1.34139","GaKα","","0.0418","0.0317","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157351","6.7572","0.0004","14.284","0.0007","23.8212","0.0014","90","","90","","90","","2299.2","0.2","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","1","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","0.71073","MoKα","","0.0966","0.0514","","","0.087","0.1015","","","","","","1.03","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157352","16.2453","0.0004","8.9674","0.0002","9.7074","0.0002","90","","93.2014","0.001","90","","1411.95","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N O3 -","- C17 H10 Cl N O3 -","- C68 H40 Cl4 N4 O12 -","4","1","","Upare, Atul; Chouhan, Neeraj Kumar; Ramaraju, Andhavaram; Sridhar, Balasubramanian; Bathula, Surendar Reddy","Access to pyrrolo[2,1-a]isoindolediones from oxime acetates and ninhydrin via Cu(i)-mediated domino annulations.","Organic & biomolecular chemistry","2020","18","9","1743","1746","10.1039/d0ob00058b","","","0.71073","MoKα","","0.1071","0.062","","","0.1299","0.1423","","","","","","1.441","","","","has coordinates","257907","2020-10-21","18:00:00",""
"7157353","10.4497","0.0003","14.6303","0.0004","15.2786","0.0005","90","","108.211","0.002","90","","2218.83","0.12","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 N6 O5 -","- C16 H32 N6 O5 -","- C64 H128 N24 O20 -","4","2","","Tonali, Nicolo; Correia, Isabelle; Lesma, Jacopo; Bernadat, Guillaume; Ongeri, Sandrine; Lequin, Olivier","Introducing sequential aza-amino acids units induces repeated β-turns and helical conformations in peptides.","Organic & biomolecular chemistry","2020","18","18","3452","3458","10.1039/c9ob02654a","","","1.54178","CuKα","","0.0371","0.0347","","","0.0939","0.0958","","","","","","1.037","","","","has coordinates","252921","2020-10-21","18:00:00",""
"7157354","7.3978","0.0004","11.414","0.0004","17.0191","0.0008","90","","90","","90","","1437.07","0.11","151","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","167-C.HI","","","- C7.5 H8.5 I0.5 N -","- C7.5 H8.5 I0.5 N -","- C60 H68 I4 N8 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0244","0.0186","","","0.0454","0.0482","","","","","","1.049","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157355","16.678","0.0005","26.824","0.0008","11.0601","0.0003","90","","124.701","0.001","90","","4067.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","166-B.HI half dichloromethane solvate","","","- C19.5 H26 Cl I N2 -","- C19.5 H26 Cl I N2 -","- C156 H208 Cl8 I8 N16 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0408","0.0297","","","0.0611","0.0689","","","","","","1.033","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157356","10.244","0.002","9.6663","0.0019","16.765","0.003","90","","92.91","0.03","90","","1658","0.5","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 Se -","- C21 H16 N2 Se -","- C84 H64 N8 Se4 -","4","1","","Yao, Hai-Feng; Li, Fang-Hui; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","Iron(iii) chloride-promoted cyclization of α,β-alkynic tosylhydrazones with diselenides: synthesis of 4-(arylselanyl)-1H-pyrazoles.","Organic & biomolecular chemistry","2020","18","10","1987","1993","10.1039/d0ob00048e","","","0.71073","MoKα","","0.0314","0.0295","","","0.0818","0.0828","","","","","","1.169","","","","has coordinates","250360","2020-10-21","18:00:00",""
"7157357","9.4156","0.0005","14.0062","0.0006","11.154","0.0006","90","","104.097","0.002","90","","1426.66","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.061","0.0402","","","0.0847","0.1001","","","","","","1.038","","","","has coordinates","250361","2020-10-21","18:00:00",""
"7157358","7.2265","0.0006","13.6852","0.0016","32.525","0.003","90","","90","","90","","3216.6","0.5","120","2","119.97","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C168 H120 N8 O24 -","8","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.0893","0.0465","","","0.1214","0.1596","","","","","","1.093","","","","has coordinates","250361","2020-10-21","18:00:00",""
"7157359","9.0158","0.0002","10.7244","0.0003","32.8321","0.0009","90","","90","","90","","3174.5","0.14","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Su, Yingpeng; Zhang, Rong; Xue, Wenxuan; Liu, Xuan; Zhao, Yanan; Wang, Ke-Hu; Huang, Danfeng; Huo, Congde; Hu, Yulai","Visible-light-promoted acyl radical cascade reaction for accessing acylated isoquinoline-1,3(2H,4H)-dione derivatives.","Organic & biomolecular chemistry","2020","18","10","1940","1948","10.1039/d0ob00086h","","","0.71073","MoKα","","0.0667","0.0572","","","0.1723","0.181","","","","","","1.082","","","","has coordinates","250359","2020-10-21","18:00:00",""
"7157360","8.377","0.0005","23.6227","0.0013","12.1418","0.0007","90","","109.819","0.007","90","","2260.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C100 H92 N12 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0599","0.0453","","","0.1112","0.1235","","","","","","1.05","","","","has coordinates","250362","2020-10-21","18:00:00",""
"7157361","11.3284","0.0005","8.7436","0.0006","20.6742","0.0009","90","","96.103","0.004","90","","2036.19","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C96 H80 N8 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0669","0.0476","","","0.1197","0.1362","","","","","","1.03","","","","has coordinates","250362","2020-10-21","18:00:00",""
"7157362","13.2399","0.0005","15.4494","0.0006","15.6625","0.0006","80.635","0.002","85.048","0.002","74.885","0.002","3048.4","0.2","99.98","","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N2 O23 -","- C70 H70 N2 O23 -","- C140 H140 N4 O46 -","2","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0656","0.0582","","","0.1663","0.1764","","","","","","1.04","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157363","9.7417","0.0004","11.8403","0.0005","11.9923","0.0005","96.716","0.003","99.839","0.003","94.798","0.003","1345.94","0.1","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","1","0.5","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1041","0.0848","","","0.2376","0.2558","","","","","","1.055","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157364","15.4706","0.0003","42.34","0.0009","19.1101","0.0004","90","","105.106","0.001","90","","12085.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C262 H220 Cl4 N8 O64 -","- C262 H220 Cl4 N8 O64 -","- C524 H440 Cl8 N16 O128 -","2","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1527","0.1097","","","0.3002","0.3468","","","","","","1.065","","","","has coordinates","250356","2020-10-21","18:00:00",""
"7157365","18.6966","0.001","19.0196","0.001","18.8502","0.001","90","","111.438","0.003","90","","6239.4","0.6","100.03","","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H65 N3 O21 -","- C68 H65 N3 O21 -","- C272 H260 N12 O84 -","4","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0869","0.0715","","","0.189","0.2028","","","","","","1.034","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157366","5.9234","0.001","9.2189","0.0014","19.396","0.003","90","","92.203","0.004","90","","1058.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Xing, Naiguo; Huang, Jiangkun; Wang, Peng; Luo, Lan; Zheng, Shilong; He, Ling","Novel one-pot synthesis of imidazolinones from esters: a concise synthesis of GSK2137305.","Organic & biomolecular chemistry","2020","18","11","2175","2181","10.1039/c9ob02743b","","","0.71073","MoKα","","0.0581","0.0435","","","0.1057","0.1133","","","","","","1.047","","","","has coordinates","250371","2020-10-21","18:00:00",""
"7157367","5.3125","0.0002","12.3867","0.0005","13.7161","0.0006","90","","90.529","0.003","90","","902.54","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","{1-(Cyclohexyloxy)-1,3,3a,9a-tetrahydrofuro[3,4-b][1,4]benzodioxin-1- yl}methanol","","- C19 H26 O5 -","- C19 H26 O5 -","- C38 H52 O10 -","2","1","","Huang, Bo-Shun; Lowary, Todd L.","β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor.","Organic & biomolecular chemistry","2020","18","12","2264","2273","10.1039/d0ob00260g","","","1.54178","CuKα","","0.0966","0.0828","","","0.2137","0.2221","","","","","","1.009","","","","has coordinates","250374","2020-10-21","18:00:00",""
"7157368","15.1789","0.0004","11.1406","0.0003","15.2829","0.0005","90","","96.945","0.003","90","","2565.41","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N5 O4 -","- C30 H23 N5 O4 -","- C120 H92 N20 O16 -","4","1","","Shoji, Taku; Iida, Nanami; Yamazaki, Akari; Ariga, Yukino; Ohta, Akira; Sekiguchi, Ryuta; Nagahata, Tatsuki; Nagasawa, Takuya; Ito, Shunji","Synthesis of phthalimides cross-conjugated with an azulene ring, and their structural, optical and electrochemical properties.","Organic & biomolecular chemistry","2020","18","12","2274","2282","10.1039/d0ob00164c","","","0.71075","MoKα","","0.0776","0.0572","","","0.1221","0.1321","","","","","","1.036","","","","has coordinates,has disorder","250375","2020-10-21","18:00:00",""
"7157369","12.1083","0.0006","18.362","0.001","11.0509","0.0006","90","","111.208","0.006","90","","2290.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Br2 O5 -","- C25 H24 Br2 O5 -","- C100 H96 Br8 O20 -","4","1","","Indu, Satrajit; Telore, Rahul D.; Kaliappan, Krishna P.","Construction of key building blocks towards the synthesis of cortistatins.","Organic & biomolecular chemistry","2020","18","13","2432","2446","10.1039/d0ob00170h","","x-ray","0.71073","MoKα","","0.0706","0.0477","","","0.0941","0.1032","","","","","","1.093","","","","has coordinates","250369","2020-10-21","18:00:00",""
"7157370","5.9119","0.0018","15.078","0.005","23.745","0.007","90","","90","","90","","2116.6","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Cao, An-Zhu; Xiao, Yu-Ting; Wu, Yan-Chen; Song, Ren-Jie; Xie, Ye-Xiang; Li, Jin-Heng","Copper-catalyzed C-H [3 + 2] annulation of N-substituted anilines with α-carbonyl alkyl bromides via C(sp<sup>3</sup>)-Br/C(sp<sup>2</sup>)-H functionalization.","Organic & biomolecular chemistry","2020","18","11","2170","2174","10.1039/d0ob00399a","","","0.71073","MoKα","","0.0502","0.0435","","","0.1197","0.126","","","","","","1.014","","","","has coordinates","250372","2020-10-21","18:00:00",""
"7157371","16.093","0.0001","13.1541","0.0001","16.9863","0.0001","90","","99.884","0.001","90","","3542.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrrole","1-(5-(1H-benzo[d][1,2,3]triazole-1-carbonyl)-4-(4-bromophenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one","","- C40 H30 Br2 N8 O4 -","- C40 H30 Br2 N8 O4 -","- C160 H120 Br8 N32 O16 -","4","1","","Galenko, Ekaterina E.; Shakirova, Firuza M.; Bodunov, Vladimir A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","1-(2H-Azirine-2-carbonyl)benzotriazoles: building blocks for the synthesis of pyrrole-containing heterocycles.","Organic & biomolecular chemistry","2020","18","12","2283","2296","10.1039/d0ob00206b","","","1.54184","CuKα","","0.0349","0.0327","","","0.0875","0.0891","","","","","","1.033","","","","has coordinates","250373","2020-10-21","18:00:00",""
"7157372","10.939","0.007","5.285","0.003","35.06","0.03","90","","95.01","0.02","90","","2019","2","173","","173","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C20 H32 F6 -","- C20 H32 F6 -","- C80 H128 F24 -","4","1","","Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David","Probing the helical integrity of multivicinal all-syn-fluoro alkanes.","Organic & biomolecular chemistry","2020","18","5","878","887","10.1039/c9ob02647a","","","1.54187","CuKα","","0.0875","0.0631","","","0.1541","0.1613","","","","","","0.894","","","","has coordinates","248785","2020-10-21","18:00:00",""
"7157373","10.2647","0.0003","11.6265","0.0004","13.2263","0.0004","74.145","0.002","82.775","0.002","72.328","0.002","1445.18","0.08","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 B Cl2 F4 N3 -","- C33 H26 B Cl2 F4 N3 -","- C66 H52 B2 Cl4 F8 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0983","0.0525","","","0.1279","0.1513","","","","","","1.004","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157374","9.429","0.002","10.505","0.003","13.733","0.003","72.898","0.003","88.384","0.003","80.368","0.003","1281.5","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1254","0.0588","","","0.0867","0.1048","","","","","","0.956","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157375","10.9702","0.0011","12.8749","0.0013","13.9596","0.0014","67.647","0.001","67.729","0.001","88.548","0.001","1671.1","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 B N3 -","- C46 H34 B N3 -","- C92 H68 B2 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0557","0.0427","","","0.1032","0.1112","","","","","","1.043","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157376","9.965","0.002","10.359","0.003","11.761","0.003","79.445","0.003","86.088","0.003","67.63","0.003","1103.7","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 B Cl2 N3 -","- C28 H18 B Cl2 N3 -","- C56 H36 B2 Cl4 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1042","0.0537","","","0.1184","0.1383","","","","","","1.037","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157377","9.41","0.0003","10.4509","0.0004","13.6039","0.0005","73.214","0.002","87.718","0.002","79.175","0.002","1257.9","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.058","0.0442","","","0.1107","0.1192","","","","","","1.047","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157378","15.931","0.002","14.7572","0.0015","8.0025","0.0009","90","","106.219","0.004","90","","1806.5","0.4","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3-bis Indole","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","0.5","","Singh, Himanshu; Tiwari, Rajat; Sharma, Poonam; Kumar, Pramod; Jain, Nidhi","Zinc triflate catalyzed 1,3-indolylation of cyclohexanones: tandem condensation, dehydrogenation and aromatization sequence.","Organic & biomolecular chemistry","2020","18","13","2492","2500","10.1039/d0ob00163e","","","0.71073","MoKα","","0.09","0.0551","","","0.1312","0.1448","","","","","","1.017","","","","has coordinates","250367","2020-10-21","18:00:00",""
"7157379","27.747","0.003","9.3839","0.0009","7.7982","0.0008","90","","90","","90","","2030.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H20 B F6 N3 O -","- C21 H20 B F6 N3 O -","- C84 H80 B4 F24 N12 O4 -","4","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","","0.71073","MoKα","","0.0649","0.0498","","","0.0861","0.0895","","","","","","1.028","","","","has coordinates","250366","2020-10-21","18:00:00",""
"7157380","7.6304","0.0002","9.5936","0.0002","11.6142","0.0003","110.557","0.001","92.1349","0.0011","98.3717","0.001","783.98","0.03","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","8-(4-N-Propargylamino-3-nitrophenyl)-bordipyrromethane","","- C18 H13 B F2 N4 O2 -","- C18 H13 B F2 N4 O2 -","- C36 H26 B2 F4 N8 O4 -","2","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","x-ray","0.71073","MoKα","","0.0328","0.031","","","0.0824","0.0845","","","","","","1.072","","","","has coordinates","250366","2020-10-21","18:00:00",""
"7157381","7.5487","0.0002","6.7333","0.0002","15.8235","0.0005","90","","93.459","0.001","90","","802.81","0.04","100","2","100","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Xylarilongipin A","","- C19 H30 O3 -","- C19 H30 O3 -","- C38 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0338","0.0334","","","0.0956","0.0963","","","","","","1.097","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157382","7.6786","0.0003","10.5655","0.0004","40.1904","0.0016","90","","90","","90","","3260.6","0.2","100","2","100","2","","","","","","","Xylaria longipes","3","P 21 21 21","P 2ac 2ab","19","","Xylarilongipin B","","- C20 H28 O3 -","- C20 H28 O3 -","- C160 H224 O24 -","8","2","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0833","0.0672","","","0.1827","0.2112","","","","","","1.162","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157383","11.5943","0.0006","6.2502","0.0003","12.5743","0.0007","90","","107.516","0.001","90","","868.97","0.08","152","2","152","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Hymatoxin L","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0308","0.0304","","","0.0799","0.0804","","","","","","1.029","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157384","6.9173","0.0008","13.9163","0.0016","14.1631","0.0016","114.998","0.001","94.368","0.001","94.251","0.001","1223.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 O4 Se -","- C26 H25 F3 O4 Se -","- C52 H50 F6 O8 Se2 -","2","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.1107","0.0814","","","0.2602","0.2805","","","","","","0.999","","","","has coordinates","252932","2020-10-21","18:00:00",""
"7157385","9.3459","0.0008","19.5855","0.0017","25.163","0.002","90","","90","","90","","4605.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O5 Se -","- C26 H28 O5 Se -","- C208 H224 O40 Se8 -","8","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.0596","0.0349","","","0.0857","0.0971","","","","","","1.023","","","","has coordinates","252932","2020-10-21","18:00:00",""
"7157386","10.5462","0.0006","11.8138","0.0006","24.1532","0.0013","90","","90","","90","","3009.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N3 S2 -","- C15 H17 N3 S2 -","- C120 H136 N24 S16 -","8","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0517","0.0467","","","0.1138","0.1167","","","","","","1.096","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157387","9.035","0.005","11.727","0.007","13.103","0.008","90","","90","","90","","1388.3","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 S2 -","- C13 H14 N4 S2 -","- C52 H56 N16 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0391","0.0369","","","0.0893","0.0906","","","","","","1.071","","","","has coordinates","250363","2020-10-21","18:00:00",""
"7157388","5.3591","0.0003","19.3576","0.0011","15.0546","0.0008","90","","96.041","0.001","90","","1553.08","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0437","0.0391","","","0.1026","0.1057","","","","","","1.057","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157389","8.1553","0.0005","16.6915","0.001","14.5815","0.0009","90","","102.205","0.001","90","","1940","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 S2 -","- C21 H21 N3 S2 -","- C84 H84 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0925","0.0591","","","0.131","0.1459","","","","","","1.043","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157390","11.0937","0.0007","6.0127","0.0004","13.9608","0.001","90","","93.459","0.005","90","","929.53","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","1.54178","CuKα","","0.0809","0.0556","","","0.1304","0.1447","","","","","","1.024","","","","has coordinates","250363","2020-10-21","18:00:00",""
"7157391","16.298","0.01","8.588","0.006","12.152","0.008","90","","103.311","0.017","90","","1655.2","1.9","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trifluoro-4-terc-butilamio-3-buten-2-ona","1-(4-bromophenyl)-2-((tert-butylamino)methylene)-4,4,4-trifluorobutane-1,3-dione","","- C15 H15 Br F3 N O2 -","- C15 H15 Br F3 N O2 -","- C60 H60 Br4 F12 N4 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.2237","0.0693","","","0.1178","0.1782","","","","","","0.893","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157392","9.0678","0.0004","10.6289","0.0005","11.469","0.0006","103.2","0.002","92.95","0.002","110.44","0.002","997.94","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Phenyl trifluormethyl (methyl methoxyphenyl)imin fluorphenyl pyrazol","1-Phenyl-3-trifluormethyl-4-(methyl-(2-methoxyphenyl)imin)-5-(4-fluorphenyl)-1H-","","- C24 H17 F4 N3 O -","- C24 H17 F4 N3 O -","- C48 H34 F8 N6 O2 -","2","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0401","0.0354","","","0.0911","0.0943","","","","","","1.027","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157393","12.889","0.002","5.2686","0.001","25.153","0.005","90","","97.851","0.006","90","","1692.1","0.5","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trifluormethyl methoxyphenyl iminomethyl bromophenyl isoxal","3-trifluormethyl-4-(2-methoxyphenyl)iminomethyl-5-(4-bromophenyl)-isoxal","","- C18 H12 Br F3 N2 O2 -","- C18 H12 Br F3 N2 O2 -","- C72 H48 Br4 F12 N8 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0921","0.0463","","","0.1056","0.1231","","","","","","1.019","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157394","15.5095","0.0019","16.419","0.002","17.6112","0.0015","79.615","0.013","68.069","0.007","84.517","0.012","4090.1","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H45.5 Cl1.5 N O -","- C51.5 H45.5 Cl1.5 N O -","- C206 H182 Cl6 N4 O4 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0525","0.0414","","","0.113","0.1175","","","","","","1.081","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157395","14.607","0.004","16.157","0.004","27.29","0.004","106.338","0.003","90.856","0.003","116.601","0.007","5451","2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H41 N3 -","- C44 H41 N3 -","- C264 H246 N18 -","6","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0746","0.0603","","","0.167","0.1754","","","","","","0.992","","","","has coordinates,has disorder","253979","2020-10-21","18:00:00",""
"7157396","9.2808","0.0017","15.164","0.002","16.814","0.004","74.57","0.02","84.71","0.02","81.55","0.016","2252.7","0.8","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H46 Cl3 N3 -","- C55 H46 Cl3 N3 -","- C110 H92 Cl6 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1015","0.0786","","","0.2191","0.2312","","","","","","0.993","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157397","17.038","0.009","21.523","0.008","11.237","0.005","90","","108.547","0.013","90","","3907","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl3 N O -","- C45 H44 Cl3 N O -","- C180 H176 Cl12 N4 O4 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1041","0.0824","","","0.2125","0.2265","","","","","","0.935","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157398","11.6137","0.0017","12.3195","0.0016","14.2724","0.0013","64.628","0.011","72.187","0.013","82.043","0.015","1756.5","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H43 N3 -","- C45 H43 N3 -","- C90 H86 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.1071","0.0568","","","0.1366","0.1551","","","","","","0.974","","","","has coordinates,has disorder","253979","2020-10-21","18:00:00",""
"7157399","54.62","0.009","13.2972","0.0019","44.552","0.009","90","","122.652","0.003","90","","27244","8","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 N5 O -","- C49 H41 N5 O -","- C1176 H984 N120 O24 -","24","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1452","0.1246","","","0.3469","0.3619","","","","","","1.016","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157400","11.1504","0.0015","11.582","0.0011","14.992","0.002","85.88","0.006","86.682","0.006","79.303","0.007","1895.6","0.4","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H49 N3 -","- C48 H49 N3 -","- C96 H98 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0531","0.0433","","","0.1189","0.1229","","","","","","1.053","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157401","11.977","0.002","12.739","0.002","17.798","0.003","98.842","0.004","98.679","0.004","107.964","0.004","2495","0.7","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H44 Cl3 N5 O -","- C51 H44 Cl3 N5 O -","- C102 H88 Cl6 N10 O2 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.126","0.1182","","","0.3268","0.334","","","","","","1.016","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157402","17.349","0.003","13.933","0.003","19.572","0.003","90","","100.366","0.004","90","","4653.8","1.5","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N7 -","- C52 H41 N7 -","- C208 H164 N28 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0665","0.0616","","","0.1589","0.1617","","","","","","1.087","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157403","12.037","0.005","13.922","0.005","16.102","0.005","91.4728","0.0007","111.807","0.008","109.604","0.014","2324.9","1.5","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C53 H43 N7 -","- C53 H43 N7 -","- C106 H86 N14 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0507","0.0413","","","0.1143","0.1193","","","","","","1.054","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157404","15.001","0.002","16.5592","0.0018","30.27","0.004","90","","100.711","0.004","90","","7388.2","1.6","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 N3 -","- C47 H43 N3 -","- C376 H344 N24 -","8","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0664","0.0586","","","0.1677","0.1748","","","","","","1.08","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157405","13.3124","0.0011","17.3674","0.0016","17.7864","0.0016","78.525","0.008","77.087","0.008","70.127","0.007","3735.5","0.6","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H43 N3 O0.5 -","- C46.5 H43 N3 O0.5 -","- C186 H172 N12 O2 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.107","0.0716","","","0.2219","0.2415","","","","","","1.085","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157406","9.6244","0.0003","9.8943","0.0003","14.3864","0.0005","90","","94.36","0.003","90","","1366","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl N O5 -","- C29 H32 Cl N O5 -","- C58 H64 Cl2 N2 O10 -","2","1","","Zhou, Jing; Bai, Li-Juan; Liang, Guo-Juan; Xu, Qi-Gui; Zhou, Li-Ping; Zhou, Hui","Organocatalytic asymmetric cascade 1,6-addition/hemiketalization/retro-Henry reaction of ortho-hydroxyphenyl-substituted p-QMs with α-nitroketones.","Organic & biomolecular chemistry","2020","18","14","2641","2645","10.1039/d0ob00397b","","x-ray","1.54184","CuKα","","0.0518","0.0467","","","0.1262","0.135","","","","","","1.048","","","","has coordinates","251729","2020-10-21","18:00:00",""
"7157407","8.7086","0.0008","9.0359","0.0007","17.1804","0.0016","90","","102.801","0.003","90","","1318.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C40 H52 Br4 Cl4 O16 P4 -","4","1","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.045","0.044","","","0.1134","0.114","","","","","","1.15","","","","has coordinates","251726","2020-10-21","18:00:00",""
"7157408","8.7884","0.0003","9.1062","0.0003","34.664","0.001","90","","90","","90","","2774.12","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C80 H104 Br8 Cl8 O32 P8 -","8","2","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.0441","0.0424","","","0.1136","0.1148","","","","","","1.057","","","","has coordinates","251726","2020-10-21","18:00:00",""
"7157409","5.7158","0.0008","16.615","0.002","19.036","0.002","90","","90","","90","","1807.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Popik, Oskar; Grzeszczyk, Barbara; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Synthesis of β-lactams via diastereoselective, intramolecular Kinugasa reactions.","Organic & biomolecular chemistry","2020","18","15","2852","2860","10.1039/d0ob00228c","","","1.54178","CuKα","","0.0583","0.0427","","","0.1027","0.1132","","","","","","1.017","","","","has coordinates","251733","2020-10-21","18:00:00",""
"7157410","10.19377","0.00018","39.0375","0.0007","11.437","0.0002","90","","116.788","0.0008","90","","4062.81","0.13","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H74 Cl2 N8 O2 -","- C105 H74 Cl2 N8 O2 -","- C210 H148 Cl4 N16 O4 -","2","1","","Kubo, Masahiro; Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Solvent-sensitive circularly polarized luminescent compounds bearing a 9,9'-spirobi[fluorene] skeleton.","Organic & biomolecular chemistry","2020","18","15","2866","2876","10.1039/c9ob02681a","","","1.54187","CuKα","","0.0654","0.0619","","","0.1757","0.1809","","","","","","1.109","","","","has coordinates,has disorder","251732","2020-10-21","18:00:00",""
"7157411","5.4509","0.0007","19.981","0.003","10.8572","0.0016","90","","103.309","0.005","90","","1150.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Shamanth, Sadashivamurthy; Chaithra, Nagaraju; Gurukiran, Mahesha; Mamatha, Mahesha; Lokanath, N. K.; Rangappa, Kanchugarakoppal S.; Mantelingu, Kempegowda","I<sub>2</sub>-Catalyzed transformation of o-aminobenzamide to o-ureidobenzonitrile using isothiocyanates.","Organic & biomolecular chemistry","2020","18","14","2678","2684","10.1039/d0ob00118j","","","0.71075","MoKα","","0.0468","0.0399","","","0.1055","0.1112","","","","","","1.058","","","","has coordinates","251728","2020-10-21","18:00:00",""
"7157412","8.532","0.0007","11.8108","0.0008","14.1961","0.001","90","","90","","90","","1430.54","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 B F O2 -","- C16 H20 B F O2 -","- C64 H80 B4 F4 O8 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.0625","0.0448","","","0.0896","0.0994","","","","","","1.044","","","","has coordinates,has disorder","251727","2020-10-21","18:00:00",""
"7157413","6.2351","0.0005","12.5482","0.0009","20.861","0.0015","90","","90","","90","","1632.1","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 B O3 -","- C18 H25 B O3 -","- C72 H100 B4 O12 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.073","0.0509","","","0.1013","0.1159","","","","","","1.059","","","","has coordinates","251727","2020-10-21","18:00:00",""
"7157414","34.1049","0.0003","14.4311","0.0001","31.2664","0.0002","90","","102.554","0.001","90","","15020.5","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","phaseolide A-CS","","- C106.12 H104.87 Cl12 N24 O8.53 Zn6 -","- C106.128 H104.88 Cl12 N24 O8.532 Zn6 -","- C424.512 H419.52 Cl48 N96 O34.128 Zn24 -","4","1","","Morishita, Yohei; Sonohara, Terutaka; Taniguchi, Tohru; Adachi, Kiyohiro; Fujita, Makoto; Asai, Teigo","Synthetic-biology-based discovery of a fungal macrolide from Macrophomina phaseolina.","Organic & biomolecular chemistry","2020","18","15","2813","2816","10.1039/d0ob00519c","","x-ray","1.54184","CuKα","","0.0641","0.0572","","","0.1681","0.1757","","","","","","1.044","","","","has coordinates,has disorder","251735","2020-10-21","18:00:00",""
"7157415","10.3478","0.001","14.7058","0.0014","18.6178","0.0017","90","","90","","90","","2833.1","0.5","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","N-diarylmethane substituted isoxazolinones","(R)-2-((2-chlorophenyl)(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)-4-methyl-3-phenylisoxazol-5(2H)-one","","- C31 H34 Cl N O3 -","- C31 H34 Cl N O3 -","- C124 H136 Cl4 N4 O12 -","4","1","","Qi, Suo-Suo; Jiang, Zhen-Hui; Chu, Ming-Ming; Wang, Yi-Feng; Chen, Xue-Yang; Ju, Wan-Zhen; Xu, Dan-Qian","Regioselective catalytic asymmetric N-alkylation of isoxazol-5-ones with para-quinone methides.","Organic & biomolecular chemistry","2020","18","13","2398","2404","10.1039/d0ob00393j","","","0.71073","MoKα","","0.0526","0.0407","","","0.0955","0.1045","","","","","","1.022","","","","has coordinates","250368","2020-10-21","18:00:00",""
"7157416","13.583","0.003","8.561","0.002","15.116","0.003","90","","97.03","0.03","90","","1744.5","0.7","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0695","0.0495","","","0.1225","0.1402","","","","","","1.036","","","","has coordinates","251734","2020-10-21","18:00:00",""
"7157417","7.2409","0.0013","19.433","0.004","10.923","0.002","90","","95.667","0.002","90","","1529.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0627","0.0462","","","0.1169","0.1269","","","","","","1.075","","","","has coordinates","251734","2020-10-21","18:00:00",""
"7157418","7.5756","0.0008","8.7063","0.0006","19.34","0.003","90","","90","","90","","1275.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1424","0.0683","","","0.1007","0.1308","","","","","","1.006","","","","has coordinates","251730","2020-10-21","18:00:00",""
"7157419","7.969","0.003","34.663","0.014","5.361","0.002","90","","90","","90","","1480.9","1","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","P21212","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1558","0.0762","","","0.1546","0.1915","","","","","","0.959","","","","has coordinates,has disorder","251730","2020-10-21","18:00:00",""
"7157420","12.9764","0.0011","14.3781","0.0012","17.5765","0.0015","90","","90","","90","","3279.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 O2 P2 -","- C37 H40 O2 P2 -","- C148 H160 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0836","0.0522","","","0.1025","0.1121","","","","","","0.954","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157421","13.2801","0.0012","14.3298","0.0013","17.9616","0.0015","90","","90","","90","","3418.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O2 P2 -","- C38 H42 O2 P2 -","- C152 H168 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0952","0.0492","","","0.0805","0.0912","","","","","","1.03","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157422","8.8154","0.0007","11.3911","0.0009","24.121","0.002","90","","90","","90","","2422.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 O3 P -","- C26 H33 O3 P -","- C104 H132 O12 P4 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0773","0.0443","","","0.0963","0.1113","","","","","","1.028","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157423","14.276","0.014","14.392","0.012","11.161","0.011","90","","94.34","0.04","90","","2287","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 S -","- C28 H28 N2 O2 S -","- C112 H112 N8 O8 S4 -","4","1","","Zakharov, A. V.; Yadykov, A. V.; Lvov, A. G.; Mitina, E. A.; Shirinian, V. Z.","Photochemical rearrangement of diarylethenes: synthesis of functionalized phenanthrenes.","Organic & biomolecular chemistry","2020","18","16","3098","3103","10.1039/d0ob00296h","","","0.71073","MoKα","","0.1304","0.0801","","","0.2078","0.2428","","","","","","1.073","","","","has coordinates,has disorder","251721","2020-10-21","18:00:00",""
"7157424","9.531","0.0005","7.0315","0.0004","21.6758","0.0012","90","","93.267","0.002","90","","1450.29","0.14","302","2","302.56","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzamide derivative","4-(quinolin-2-ylcarbamoyl)phenyl acetate","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Ritu, ?; Sharma, Charu; Kumar, Sharvan; Jain, Nidhi","Singlet oxygen mediated dual C-C and C-N bond cleavage in visible light.","Organic & biomolecular chemistry","2020","18","15","2921","2928","10.1039/d0ob00563k","","","0.71073","MoKα","","0.0538","0.051","","","0.1454","0.1482","","","","","","1.069","","","","has coordinates","251731","2020-10-21","18:00:00",""
"7157425","31.975","0.004","7.5139","0.001","20.464","0.003","90","","115.609","0.002","90","","4433.6","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8,17,18-tetrakis(trifluoromethyl)-5,10,15,20-tetraphenylporphyrin toluene solvate","","- C55 H34 F12 N4 -","- C55 H34 F12 N4 -","- C220 H136 F48 N16 -","4","0.5","","Thomas, Kolle E.; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik","Free-base porphyrins with localized NH protons. Can substituents alone stabilize the elusive cis tautomer?","Organic & biomolecular chemistry","2020","18","15","2861","2865","10.1039/d0ob00452a","","","0.7749","synchrotron","","0.081","0.064","","","0.1783","0.1896","","","","","","1.027","","","","has coordinates,has disorder","251736","2020-10-21","18:00:00",""
"7157426","9.0309","0.0004","13.028","0.0005","19.9637","0.0008","99.064","0.002","98.729","0.002","91.614","0.002","2289.36","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","4","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","1.54178","CuKα","","0.072","0.0702","","","0.2066","0.211","","","","","","1.036","","","","has coordinates,has disorder","253972","2020-10-21","18:00:00",""
"7157427","6.0742","0.0007","8.6056","0.001","43.665","0.005","90","","90","","90","","2282.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O2 S -","- C28 H28 O2 S -","- C112 H112 O8 S4 -","4","1","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","0.71073","MoKα","","0.1762","0.0603","","","0.083","0.114","","","","","","0.907","","","","has coordinates","253972","2020-10-21","18:00:00",""
"7157428","9.778","0.0002","10.6122","0.0002","11.1756","0.0002","103.043","0.001","104.128","0.002","92.353","0.002","1089.87","0.04","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Li, Ming; Yao, Tian-Yu; Sun, Sheng-Zheng; Yan, Ting-Xun; Wen, Li-Rong; Zhang, Lin-Bao","The ruthenium(ii)-catalyzed C-H olefination of indoles with alkynes: the facile construction of tetrasubstituted alkenes under aqueous conditions.","Organic & biomolecular chemistry","2020","18","16","3158","3163","10.1039/d0ob00508h","","x-ray","1.54184","CuKα","","0.043","0.0395","","","0.1026","0.1067","","","","","","1.066","","","","has coordinates","251722","2020-10-21","18:00:00",""
"7157429","9.707","0.009","11.145","0.01","21.59","0.016","93.42","0.02","100.93","0.02","100.11","0.02","2247","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O -","- C29 H21 N3 O -","- C116 H84 N12 O4 -","4","2","","Meesa, Siddi Ramulu; Naikawadi, Praveen Kumar; Gugulothu, Kishan; Kota, Shiva Kumar","Catalyst and solvent switched divergent C−H functionalization: oxidative annulation of N-aryl substituted quinazolin-4-amine with alkynes","Organic & Biomolecular Chemistry","2020","","","","","10.1039/D0OB00318B","","","0.71073","MoKα","","0.143","0.054","","","0.1231","0.1645","","","","","","0.991","","","","has coordinates","249816","2020-10-21","18:00:00",""
"7157430","9.9378","0.0003","11.6946","0.0004","18.4106","0.0007","90","","97.113","0.001","90","","2123.19","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Meesa, Siddi Ramulu; Naikawadi, Praveen Kumar; Gugulothu, Kishan; Kota, Shiva Kumar","Catalyst and solvent switched divergent C−H functionalization: oxidative annulation of N-aryl substituted quinazolin-4-amine with alkynes","Organic & Biomolecular Chemistry","2020","","","","","10.1039/D0OB00318B","","","0.71073","MoKα","","0.0679","0.039","","","0.0908","0.1014","","","","","","0.951","","","","has coordinates","249816","2020-10-21","18:00:00",""
"7157431","8.3154","0.0014","20.34","0.004","17.962","0.003","90","","101.759","0.003","90","","2974.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N5 O4 S -","- C32 H33 N5 O4 S -","- C128 H132 N20 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1548","0.0592","","","0.1285","0.1675","","","","","","0.983","","","","has coordinates","251723","2020-10-21","18:00:00",""
"7157432","14.818","0.006","11.92","0.005","16.557","0.007","90","","91.828","0.007","90","","2923","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl0 N3 O4 S -","- C32 H29 N3 O4 S -","- C128 H116 N12 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1153","0.0496","","","0.1137","0.1434","","","","","","0.987","","","","has coordinates","251723","2020-10-21","18:00:00",""
"7157433","6.0543","0.0009","8.5333","0.0014","34.582","0.006","90","","90","","90","","1786.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Pan, Changduo; Huang, Gao; Shan, Yujia; Li, Yiting; Yu, Jin-Tao","Rh(iii)-Catalyzed regioselective C4 alkylation of indoles with allylic alcohols: direct access to β-indolyl ketones.","Organic & biomolecular chemistry","2020","18","16","3038","3042","10.1039/d0ob00396d","","","0.71073","MoKα","","0.1121","0.0779","","","0.2075","0.2301","","","","","","1.078","","","","has coordinates","251725","2020-10-21","18:00:00",""
"7157434","14.1097","0.0004","10.9238","0.0003","17.0344","0.0005","90","","94.326","0.003","90","","2618.06","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 F2 N4 Si -","- C27 H28 Cl2 F2 N4 Si -","- C108 H112 Cl8 F8 N16 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0894","0.0818","","","0.2105","0.2219","","","","","","1.047","","","","has coordinates","252910","2020-10-21","18:00:00",""
"7157435","9.0006","0.0003","16.2355","0.0004","14.0783","0.0004","90","","96.804","0.003","90","","2042.76","0.1","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl2 F2 N2 Si -","- C23 H18 Cl2 F2 N2 Si -","- C92 H72 Cl8 F8 N8 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0342","0.0302","","","0.0821","0.0843","","","","","","1.044","","","","has coordinates","252910","2020-10-21","18:00:00",""
"7157436","7.8983","0.0002","10.1395","0.0003","14.2203","0.0004","80.924","0.002","74.043","0.002","85.365","0.002","1080.4","0.05","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N2 Si -","- C24 H14 F8 N2 Si -","- C48 H28 F16 N4 Si2 -","2","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0512","0.0449","","","0.1152","0.1202","","","","","","1.061","","","","has coordinates,has disorder","252910","2020-10-21","18:00:00",""
"7157437","5.5623","0.0003","8.7434","0.0004","17.6707","0.0008","90","","96.868","0.002","90","","853.22","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl N O3 S -","- C19 H14 Cl N O3 S -","- C38 H28 Cl2 N2 O6 S2 -","2","1","","Wang, Mei-Xin; Liu, Juan; Liu, Zhen; Wang, Yingcheng; Yang, Qi-Qiong; Shan, Wenyu; Deng, Yu-Hua; Shao, Zhihui","Enantioselective synthesis of chiral α-alkynylated thiazolidones by tandem S-addition/acetalization of alkynyl imines.","Organic & biomolecular chemistry","2020","18","16","3117","3124","10.1039/d0ob00365d","","","1.54178","CuKα","","0.0442","0.0423","","","0.1046","0.1071","","","","","","1.05","","","","has coordinates","251724","2020-10-21","18:00:00",""
"7157438","5.5984","0.0001","11.093","0.0002","12.6395","0.0003","93.034","0.001","97.303","0.001","99.705","0.001","765.22","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-(Benzyloxy)propyl)-8-bromo-1H-purine-2,6(3H,7H)-dione","","- C15 H15 Br N4 O3 -","- C15 H15 Br N4 O3 -","- C30 H30 Br2 N8 O6 -","2","1","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.045","0.0296","","","0.0759","0.0808","","","","","","1.029","","","","has coordinates","251720","2020-10-21","18:00:00",""
"7157439","10.3","0.0006","7.5991","0.0006","9.0926","0.0006","90","","95.806","0.004","90","","708.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-(Methoxy)propyl)urea","","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","- C20 H48 N8 O8 -","2","0.5","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.0415","0.0348","","","0.0895","0.094","","","","","","1.059","","","","has coordinates","251720","2020-10-21","18:00:00",""
"7157440","9.768","0.002","5.0226","0.001","17.193","0.003","90","","95.43","0.03","90","","839.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N2 S -","- C22 H18 N2 S -","- C44 H36 N4 S2 -","2","1","","Jiang, Jingjing; Tuo, Xiaolong; Fu, Zhuquan; Huang, Huawen; Deng, Guo-Jun","Three-component synthesis of 1,4-benzothiazines via iodide-catalyzed aerobic C-H sulfuration with elemental sulfur.","Organic & biomolecular chemistry","2020","18","17","3234","3238","10.1039/d0ob00074d","","","0.71073","MoKα","","0.0813","0.0696","","","0.1288","0.1363","","","","","","1.125","","","","has coordinates","252903","2020-10-21","18:00:00",""
"7157441","5.6311","0.0005","16.1768","0.0013","18.5883","0.0014","90","","90.132","0.007","90","","1693.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.1089","0.0552","","","0.1007","0.1226","","","","","","0.951","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157442","19.7918","0.0006","8.177","0.0002","24.1081","0.0007","90","","107.785","0.003","90","","3715.14","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0586","0.0424","","","0.1043","0.1148","","","","","","1.054","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157443","6.576","0.0004","16.9049","0.001","17.5937","0.0008","90","","90","","90","","1955.83","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N2 O2 S -","- C24 H18 N2 O2 S -","- C96 H72 N8 O8 S4 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0869","0.0594","","","0.1246","0.1399","","","","","","1.04","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157444","14.1114","0.0013","5.6423","0.0005","25.433","0.002","90","","98.033","0.003","90","","2005.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dibenzyl disulfanylsulfone","1-(4-Bromobenzyl)-2-[(4-bromophenyl)(phenylsulfonyl)methyl]disulfane","","- C20 H16 Br2 O2 S3 -","- C20 H16 Br2 O2 S3 -","- C80 H64 Br8 O8 S12 -","4","1","","Jannapu Reddy, Raju; Waheed, Md; Rama Krishna, Gamidi","Phenylboronic acid-catalyzed tandem construction of S-S and C-S bonds: a new method for the synthesis of benzyl disulfanylsulfone derivatives from S-benzyl thiosulfonates.","Organic & biomolecular chemistry","2020","18","17","3243","3248","10.1039/d0ob00442a","","","0.71073","MoKα","","0.0198","0.0179","","","0.0432","0.044","","","","","","1.034","","","","has coordinates","252902","2020-10-21","18:00:00",""
"7157445","9.8538","0.0017","10.2156","0.0017","18.572","0.003","90","","102.789","0.017","90","","1823.1","0.5","293.31","0.1","293.31","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N2 O3 -","- C22 H17 N2 O3 -","- C88 H68 N8 O12 -","4","1","","Dagar, Anuradha; Seo, Yohan; Namkung, Wan; Kim, Ikyon","A domino annulation approach to 3,4-diacylpyrrolo[1,2-a]pyrazines: decoration of pyrazine units.","Organic & biomolecular chemistry","2020","18","17","3324","3333","10.1039/d0ob00444h","","x-ray","0.71073","MoKα","","0.1476","0.0713","","","0.142","0.1763","","","","","","1.048","","","","has coordinates,has disorder","252900","2020-10-21","18:00:00",""
"7157446","7.3519","0.0009","7.7182","0.0012","13.473","0.002","90.118","0.005","98.358","0.004","94.483","0.004","754","0.19","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C34 H30 N2 O4 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.1053","0.0454","","","0.0955","0.1158","","","","","","1.006","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157447","9.729","0.005","9.766","0.005","10.945","0.006","67.938","0.014","81.05","0.014","73.602","0.014","923.1","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C44 H32 Cl2 N2 O2 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0533","0.0467","","","0.1261","0.1349","","","","","","0.943","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157448","7.656","0.004","21.804","0.01","10.011","0.005","90","","106.066","0.018","90","","1605.9","1.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 N O S -","- C17 H13 Cl2 N O S -","- C68 H52 Cl8 N4 O4 S4 -","4","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0592","0.0538","","","0.1571","0.1703","","","","","","0.657","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157449","13.132","0.003","8.2538","0.0017","20.537","0.004","90","","105.43","0.03","90","","2145.8","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl N O3 S -","- C25 H20 Cl N O3 S -","- C100 H80 Cl4 N4 O12 S4 -","4","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0491","0.0392","","","0.1089","0.1297","","","","","","1.054","","","","has coordinates","252904","2020-10-21","18:00:00",""
"7157450","9.5548","0.0019","10.071","0.002","10.634","0.002","100.86","0.03","104.43","0.03","105.69","0.03","917.5","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0779","0.0563","","","0.1485","0.1687","","","","","","1.03","","","","has coordinates","252904","2020-10-21","18:00:00",""
"7157451","29.831","0.004","11.148","0.0006","14.9443","0.0019","90","","133.61","0.02","90","","3598.4","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C192 H128 O16 -","8","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0656","0.048","","","0.1334","0.1501","","","","","","1.036","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157452","21.9993","0.0004","12.5762","0.0003","13.8028","0.0003","90","","90","","90","","3818.79","0.14","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C200 H144 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1094","0.1193","","","","","","1.022","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157453","11.8769","0.0008","11.865","0.0006","14.2912","0.0011","90","","110.026","0.008","90","","1892.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 F3 O2 -","- C24 H13 F3 O2 -","- C96 H52 F12 O8 -","4","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.08","0.0605","","","0.1653","0.1862","","","","","","1.04","","","","has coordinates,has disorder","252908","2020-10-21","18:00:00",""
"7157454","21.9897","0.0006","12.2777","0.0003","13.5508","0.0004","90","","90","","90","","3658.48","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H15 F O3 -","- C24 H15 F O3 -","- C192 H120 F8 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0573","0.0421","","","0.1018","0.1161","","","","","","1.021","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157455","10.9195","0.0008","11.7513","0.0007","14.206","0.0006","87.69","0.005","77.763","0.005","71.943","0.006","1693.1","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C92 H56 O8 -","4","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0637","0.0473","","","0.1252","0.1428","","","","","","1.018","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157456","19.7751","0.0007","7.6977","0.0003","13.7091","0.0005","90","","104.859","0.004","90","","2017.05","0.13","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H28 O2 Si -","- C22 H28 O2 Si -","- C88 H112 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","","0.71073","MoKα","","0.0275","0.0268","","","0.0715","0.072","","","","","","1.082","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157457","9.8166","0.0004","12.8538","0.0005","14.9915","0.0007","90","","98.444","0.004","90","","1871.13","0.14","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0619","0.0562","","","0.1483","0.1528","","","","","","1.058","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157458","7.1033","0.0014","15.7","0.003","10.748","0.002","90","","90.224","0.006","90","","1198.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 O2 Si -","- C10 H19 O2 Si -","- C40 H76 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71075","MoKα","","0.097","0.0694","","","0.1738","0.1941","","","","","","1.075","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157459","7.0479","0.0002","10.1584","0.0004","11.6894","0.0004","91.402","0.003","99.676","0.003","96.997","0.003","817.99","0.05","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0556","0.0451","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157460","7.3875","0.0002","9.2832","0.0003","11.5913","0.0003","103.164","0.003","95.845","0.002","95.145","0.002","764.77","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0397","0.035","","","0.0904","0.0932","","","","","","1.046","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157461","9.317","0.0009","18.704","0.002","13.6865","0.0014","90","","93.967","0.004","90","","2379.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Rayaroth, Amritha; Singh, Rajat Kumar; A V, Kalyanakrishnan; Hari, Krishna; Kaliyamoorthy, Alagiri","Base-promoted 1,6-conjugate addition of alkylazaarenes to para-quinone methides.","Organic & biomolecular chemistry","2020","18","17","3354","3359","10.1039/d0ob00419g","","","0.71073","MoKα","","0.0955","0.0569","","","0.1319","0.1646","","","","","","1.038","","","","has coordinates","252899","2020-10-21","18:00:00",""
"7157462","5.5878","0.0007","10.8004","0.0011","13.7039","0.0012","105.531","0.008","91.027","0.009","101.719","0.01","777.93","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-chloro-6-(p-tolyl)phenanthridine","","- C20 H14 Cl N -","- C20 H14 Cl N -","- C40 H28 Cl2 N2 -","2","1","","Fang, Benyao; Hou, Jiao; Tian, Jinyue; Yu, Wenquan; Chang, Junbiao","Synthesis of phenanthridines by I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2020","18","17","3312","3323","10.1039/d0ob00433b","","x-ray","1.54184","CuKα","","0.0764","0.0559","","","0.1624","0.1918","","","","","","1.015","","","","has coordinates","252898","2020-10-21","18:00:00",""
"7157463","8.3958","0.0001","10.3211","0.0002","33.5425","0.0005","90","","91.208","0.001","90","","2905.94","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Br N3 O6 -","- C31 H32 Br N3 O6 -","- C124 H128 Br4 N12 O24 -","4","1","","Ao, Chaoqun; Huang, Jingjing; Xu, Xinfang; Jia, Shikun; Kang, Zhenghui; Hu, Wenhao","A Rh-catalyzed three-component reaction for the diastereoselective synthesis of pyrazolone derivatives with contiguous quaternary stereocenters.","Organic & biomolecular chemistry","2020","18","18","3466","3470","10.1039/d0ob00482k","","x-ray","1.54184","CuKα","","0.0704","0.0647","","","0.1481","0.1546","","","","","","1.073","","","","has coordinates","252924","2020-10-21","18:00:00",""
"7157464","8.6541","0.0005","5.7809","0.0003","33.543","0.002","90","","97.281","0.004","90","","1664.57","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4Z)-2,4-diphenyl-8,9-dihydrocycloocta[b]furan-6(7H)-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Dos Santos, Emerson E. F.; de Souza, Gabriela F. P.; Simoni, Deborah A.; Salles, Jr, Airton G","A base-promoted tandem approach to bicyclic 8-membered ring ketones.","Organic & biomolecular chemistry","2020","18","17","3249","3253","10.1039/d0ob00618a","","","1.54178","CuKα","","0.0751","0.0584","","","0.1262","0.1326","","","","","","1.13","","","","has coordinates","252901","2020-10-21","18:00:00",""
"7157465","11.5618","0.0005","20.0595","0.001","20.7439","0.001","90","","90","","90","","4811","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 N4 O2 S -","- C26 H22 N4 O2 S -","- C104 H88 N16 O8 S4 -","4","1","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping","KI/TBHP-promoted [3 + 2] cycloaddition of pyrrolo[1,2-a]quinoxalines and N-arylsulfonylhydrazones.","Organic & biomolecular chemistry","2020","18","17","3360","3366","10.1039/d0ob00494d","","","0.71073","MoKα","","0.1026","0.0924","","","0.2486","0.2593","","","","","","1.096","","","","has coordinates","252909","2020-10-21","18:00:00",""
"7157466","7.1117","0.0014","14.251","0.003","7.5497","0.0015","90","","102.83","0.03","90","","746","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5ad","","- C16 H11 N5 O2 -","- C16 H11 N5 O2 -","- C32 H22 N10 O4 -","2","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0631","0.0401","","","0.0721","0.0777","","","","","","1.03","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157467","9.6779","0.0019","15.962","0.003","12.006","0.002","90","","108.7","0.03","90","","1756.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7ab","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0959","0.0584","","","0.1333","0.1495","","","","","","1.027","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157468","14.942","0.003","12.891","0.003","17.93","0.004","90","","90","","90","","3453.6","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7ae","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0887","0.0512","","","0.0993","0.1121","","","","","","1.038","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157469","13.151","0.003","18.198","0.004","19.461","0.004","90","","90","","90","","4657.4","1.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6ea","","- C28 H23 N3 S -","- C28 H23 N3 S -","- C224 H184 N24 S8 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0923","0.052","","","0.1038","0.1171","","","","","","1.016","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157470","13.7872","0.0009","11.4491","0.0007","7.3967","0.0005","90","","101.273","0.003","90","","1145.05","0.13","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.104","0.0957","","","0.207","0.211","","","","","","1.179","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157471","4.6972","0.0002","11.9618","0.0005","15.7954","0.0007","81.534","0.003","86.654","0.004","84.89","0.003","873.41","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N O2 -","- C20 H22 Br N O2 -","- C40 H44 Br2 N2 O4 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","","1.54178","CuKα","","0.0839","0.0732","","","0.1867","0.1935","","","","","","1.136","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157472","4.4247","0.0003","16.1174","0.001","19.4957","0.0013","99.692","0.002","94.484","0.002","92.775","0.002","1363.61","0.16","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 N2 O4 -","- C32 H27.9983 Br2.0024 N2 O4 -","- C64 H55.9966 Br4.0048 N4 O8 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.042","0.041","","","0.1059","0.1066","","","","","","1.098","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157473","5.5466","0.0001","9.9811","0.0002","27.5422","0.0005","90","","91.085","0.002","90","","1524.5","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","","Lin, Qifu; Yao, Yongqi; Yang, Wen; Tan, Yun; Chen, Shuqi; Chen, Donghan; Yang, Dingqiao","Copper-catalyzed diastereoselective hydrothioetherification of oxa(aza)benzonorbornadienes.","Organic & biomolecular chemistry","2020","18","18","3575","3584","10.1039/d0ob00659a","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1143","0.1178","","","","","","1.069","","","","has coordinates","252922","2020-10-21","18:00:00",""
"7157474","10.5718","0.0013","10.6288","0.0012","13.5806","0.0017","100.473","0.01","97.068","0.01","103.526","0.01","1436.9","0.3","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl (1R,3S,5r,7r)-8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro-[adamantane-2,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C35 H32 N2 O5 -","- C35 H32 N2 O5 -","- C70 H64 N4 O10 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.0726","0.0523","","","0.1289","0.1459","","","","","","1.064","","","","has coordinates","252905","2020-10-21","18:00:00",""
"7157475","9.2689","0.0014","9.782","0.0012","35.199","0.003","94.886","0.009","92.57","0.01","115.038","0.013","2869.4","0.7","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl 8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro[cyclohexane-1,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C66 H66 N4 O11 -","- C66 H66 N4 O11 -","- C132 H132 N8 O22 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.1265","0.0759","","","0.1856","0.2195","","","","","","1.016","","","","has coordinates,has disorder","252905","2020-10-21","18:00:00",""
"7157476","9.3467","0.0019","11.887","0.002","11.887","0.002","97.25","","97.072","0.002","97.072","0.002","1287.2","0.4","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C21 H26 Br Cl F6 N2 P Rh Se -","- C21 H26 Br Cl F6 N2 P Rh Se -","- C42 H52 Br2 Cl2 F12 N4 P2 Rh2 Se2 -","2","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0566","0.0373","","","0.0782","0.0835","","","","","","0.971","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157477","12.562","0.003","11.151","0.002","19.041","0.004","90","","91.874","0.003","90","","2665.8","1","298","2","298","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C21 H26 Br Cl F6 N2 P Rh S -","- C21 H26 Br Cl F6 N2 P Rh S -","- C84 H104 Br4 Cl4 F24 N8 P4 Rh4 S4 -","4","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0544","0.0477","","","0.1033","0.1057","","","","","","1.068","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157478","5.7568","0.0004","25.3971","0.0013","13.5914","0.0008","90","","98.147","0.002","90","","1967.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","phenylselanyl azaspiro decatrienedione","1-methyl-4-phenyl-3-((3-(trifluoromethyl)phenyl)selanyl)-1-azaspiro [4.5]deca-3,6,9-triene-2,8-dione","","- C23 H16 F3 N O2 Se -","- C23 H16 F3 N O2 Se -","- C92 H64 F12 N4 O8 Se4 -","4","1","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0608","0.041","","","0.0915","0.0981","","","","","","1.053","","","","has coordinates","252927","2020-10-21","18:00:00",""
"7157479","9.6477","0.0005","14.9116","0.0008","13.3181","0.0007","90","","98.129","0.002","90","","1896.73","0.17","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","azaspiro deca trienedione","1-methyl-4-phenyl-3-(phenylselanyl)-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione","","- C44 H34 N2 O4 Se2 -","- C44 H34 N2 O4 Se2 -","- C88 H68 N4 O8 Se4 -","2","1","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0546","0.0377","","","0.0994","0.1104","","","","","","1.028","","","","has coordinates","252927","2020-10-21","18:00:00",""
"7157480","18.987","0.004","25.021","0.006","7.087","0.0018","90","","90","","90","","3366.8","1.4","300","2","300","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C40 H32 N0 O12 -","- C40 H32 O12 -","- C160 H128 O48 -","4","0.25","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.0676","0.0466","","","0.1106","0.1232","","","","","","1.042","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157481","7.57","0.002","9.753","0.002","13.656","0.003","90","","102.23","0.03","90","","985.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","2","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1115","0.0552","","","0.1277","0.1542","","","","","","0.951","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157482","25.689","0.005","10.003","0.002","7.418","0.002","90","0.03","105.62","0.03","90","0.03","1835.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H56 N8 O40 -","- C80 H56 N8 O40 -","- C80 H56 N8 O40 -","1","0.125","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.091","0.0536","","","0.1228","0.1473","","","","","","1.019","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157483","8.009","","9.607","","13.044","","94.77","","105.91","","108.25","","900.812","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N2 O6 -","- C22 H14 N2 O6 -","- C44 H28 N4 O12 -","2","1","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1281","0.0748","","","0.1975","0.2304","","","","","","1.03","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157484","24.1998","0.0014","12.37","0.0006","9.5879","0.0006","90","","119.944","0.008","90","","2487","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C88 H92 Cl4 N8 O12 -","4","1","","Cui, Hao; Li, Ke; Wang, Yue; Song, Manman; Wang, Congcong; Wei, Donghui; Li, Er-Qing; Duan, Zheng; Mathey, François","Copper(i)/Ganphos catalysis: enantioselective synthesis of diverse spirooxindoles using iminoesters and alkyl substituted methyleneindolinones.","Organic & biomolecular chemistry","2020","18","19","3740","3746","10.1039/d0ob00546k","","x-ray","1.54184","CuKα","","0.0472","0.0448","","","0.1259","0.1291","","","","","","1.051","","","","has coordinates","252912","2020-10-21","18:00:00",""
"7157485","6.61847","0.00005","9.54","0.00006","44.1844","0.0003","90","","90","","90","","2789.81","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C29 H48 O3 -","- C116 H192 O12 -","4","1","","Xiao, Long-Gao; Zhang, Yu; Zhang, Hong-Li; Li, Ding; Gu, Qiong; Tang, Gui-Hua; Yu, Qian; An, Lin-Kun","Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica.","Organic & biomolecular chemistry","2020","18","27","5130","5136","10.1039/d0ob00666a","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0714","0.072","","","","","","1.038","","","","has coordinates","255090","2020-10-21","18:00:00",""
"7157486","8.3268","0.0014","9.2126","0.0013","9.6765","0.0016","83.964","0.005","73.197","0.005","73.333","0.005","680.55","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br N O2 -","- C16 H11 Br N O2 -","- C32 H22 Br2 N2 O4 -","2","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0404","0.037","","","0.1032","0.1054","","","","","","1.062","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157487","11.1312","0.0004","8.2115","0.0004","16.7219","0.0007","90","","109.192","0.001","90","","1443.5","0.11","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0686","0.0607","","","0.1766","0.1844","","","","","","1.058","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157488","7.7099","0.0006","16.5285","0.0015","15.8165","0.0016","90","","94.189","0.007","90","","2010.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl F12 N O3 -","- C16 H10 Cl F12 N O3 -","- C64 H40 Cl4 F48 N4 O12 -","4","1","","Mo, Zu-Yu; Wang, Xin-Yu; Zhang, Yu-Zhen; Yang, Li; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled functionalization of indoles or anilines for the synthesis of hexafluoroisopropoxy indole and aniline derivatives.","Organic & biomolecular chemistry","2020","18","20","3832","3837","10.1039/d0ob00157k","","x-ray","0.71073","MoKα","","0.0717","0.0553","","","0.1422","0.156","","","","","","1.034","","","","has coordinates","252918","2020-10-21","18:00:00",""
"7157489","42.922","0.009","30.652","0.006","19.133","0.004","90","","94.97","0.03","90","","25078","9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C210 H270 B6 N6 O24 -","- C210 H269.5 B6 N6 O24 -","- C840 H1078 B24 N24 O96 -","4","0.5","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1391","0.1064","","","0.3231","0.3545","","","","","","1.324","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157490","27.909","0.006","32.78","0.007","34.958","0.007","105.11","0.03","107.86","0.03","110.03","0.03","26098","16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C223.49 H272.13 B6 N6.66 O25.16 -","- C223.484 H272.131 B6 N6.6615 O25.1615 -","- C893.938 H1088.52 B24 N26.646 O100.646 -","4","2","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1566","0.14","","","0.4052","0.4269","","","","","","1.856","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157491","9.74142","0.00005","9.74142","0.00005","55.7588","0.0004","90","","90","","90","","5291.25","0.05","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H74 N2 O20 S2 -","- C45 H74 N2 O20 S2 -","- C180 H296 N8 O80 S8 -","4","0.5","","Tota, Arianna; Carlucci, Claudia; Pisano, Luisa; Cutolo, Giuliano; Clarkson, Guy J.; Romanazzi, Giuseppe; Degennaro, Leonardo; Bull, James A.; Rollin, Patrick; Luisi, Renzo","Synthesis of glycosyl sulfoximines by a highly chemo- and stereoselective NH- and O-transfer to thioglycosides.","Organic & biomolecular chemistry","2020","18","20","3893","3897","10.1039/d0ob00647e","","x-ray","1.54184","CuKα","","0.0469","0.0464","","","0.1189","0.1193","","","","","","1.053","","","","has coordinates","252920","2020-10-21","18:00:00",""
"7157492","17.9619","0.0004","9.8922","0.0002","22.6104","0.0005","90","","96.832","0.002","90","","3988.95","0.15","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H17 Cl O4 -","- C25 H17 Cl O4 -","- C200 H136 Cl8 O32 -","8","2","","Yang, Xiao-Chao; Xu, Meng; Wang, Jin-Bao; Liu, Meng-Meng; Mathey, François; Hua, Yuan-Zhao; Wang, Min-Can","Enantioselective synthesis of indanone spiro-isochromanone derivatives via a dinuclear zinc-catalyzed Michael/transesterification tandem reaction.","Organic & biomolecular chemistry","2020","18","20","3917","3926","10.1039/d0ob00541j","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.106","0.1099","","","","","","1.036","","","","has coordinates","252914","2020-10-21","18:00:00",""
"7157493","8.2622","0.0007","10.8562","0.001","11.4554","0.0008","83.258","0.004","82.82","0.004","84.193","0.004","1008.49","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O6 -","- C24 H19 N O6 -","- C48 H38 N2 O12 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0828","0.0433","","","0.1025","0.1287","","","","","","1.051","","","","has coordinates","252916","2020-10-21","18:00:00",""
"7157494","9.3935","0.0006","10.3136","0.0007","17.8351","0.0012","102.592","0.003","95.138","0.004","101.978","0.003","1633.08","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl N3 O9 -","- C33 H30 Cl N3 O9 -","- C66 H60 Cl2 N6 O18 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0758","0.0498","","","0.1267","0.1504","","","","","","1.08","","","","has coordinates","252916","2020-10-21","18:00:00",""
"7157495","12.5521","0.0012","6.6052","0.0006","12.9824","0.0012","90","","113.567","0.003","90","","986.58","0.16","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zou, Chun-Xin; Hou, Zi-Lin; Bai, Ming; Guo, Rui; Lin, Bin; Wang, Xiao-Bo; Huang, Xiao-Xiao; Song, Shao-Jiang","Highly modified steroids from Inonotus obliquus.","Organic & biomolecular chemistry","2020","18","20","3908","3916","10.1039/d0ob00474j","","","1.34139","GaKα","","0.0311","0.0303","","","0.1055","0.1073","","","","","","0.955","","","","has coordinates,has disorder","252919","2020-10-21","18:00:00",""
"7157496","19.2032","0.0009","6.11","0.0003","10.9617","0.0005","90","","103.271","0.001","90","","1251.81","0.1","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34.5 O17.25 -","- C24 H34.5 O17.25 -","- C48 H69 O34.5 -","2","0.5","","St-Gelais, Jacob; Denavit, Vincent; Giguère, Denis","Efficient synthesis of a galectin inhibitor clinical candidate (TD139) using a Payne rearrangement/azidation reaction cascade.","Organic & biomolecular chemistry","2020","18","20","3903","3907","10.1039/d0ob00910e","","x-ray","1.34139","GaKα","","0.0507","0.0507","","","0.1175","0.1176","","","","","","1.147","","","","has coordinates","252915","2020-10-21","18:00:00",""
"7157497","6.4978","0.0004","14.5164","0.0014","16.2262","0.0014","90","","90","","90","","1530.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O3 S2 -","- C17 H11 N O3 S2 -","- C68 H44 N4 O12 S8 -","4","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0933","0.0576","","","0.09","0.1094","","","","","","1.011","","","","has coordinates","252930","2020-10-21","18:00:00",""
"7157498","17.5086","0.001","11.7781","0.0008","13.9721","0.0009","90","","92.715","0.006","90","","2878.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N O S2 -","- C17 H11 N O S2 -","- C136 H88 N8 O8 S16 -","8","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0592","0.0461","","","0.1283","0.145","","","","","","0.998","","","","has coordinates","252930","2020-10-21","18:00:00",""
"7157499","11.695","0.0005","14.5145","0.0005","15.6982","0.0007","90","","107.486","0.005","90","","2541.59","0.19","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O7 -","- C30 H29 N O7 -","- C120 H116 N4 O28 -","4","1","","Cui, Hai-Lei","FeCl<sub>2</sub> catalyzed direct modification of dihydropyrrolo[2,1-a]isoquinolines with phenols.","Organic & biomolecular chemistry","2020","18","21","4085","4089","10.1039/d0ob00917b","","x-ray","0.71073","MoKα","","0.0525","0.0407","","","0.0972","0.1054","","","","","","1.01","","","","has coordinates","252928","2020-10-21","18:00:00",""
"7157500","12.008","0.001","13.0066","0.001","34.139","0.002","90","","90","","90","","5331.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H77 N O6 -","- C57 H77 N O6 -","- C228 H308 N4 O24 -","4","1","","Peng, Xiaogang; Duan, Fangfang; He, Yangzhou; Gao, Ying; Chen, Juan; Chang, Jinling; Ruan, Hanli","Ergocytochalasin A, a polycyclic merocytochalasan from an endophytic fungus Phoma multirostrata XJ-2-1.","Organic & biomolecular chemistry","2020","18","21","4056","4062","10.1039/d0ob00701c","","x-ray","1.54184","CuKα","","0.0366","0.0362","","","0.0954","0.0958","","","","","","1.05","","","","has coordinates","252929","2020-10-21","18:00:00",""
"7157501","6.9928","0.0005","7.7011","0.0006","10.3093","0.0009","79.651","0.001","81.793","0.002","80.005","0.001","534.28","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 F N O4 S -","- C8 H12 F N O4 S -","- C16 H24 F2 N2 O8 S2 -","2","1","","Liu, Jing; Wang, Shi-Meng; Qin, Hua-Li","Light-induced [2 + 2] cycloadditions for the construction of cyclobutane-fused pyridinyl sulfonyl fluorides.","Organic & biomolecular chemistry","2020","18","21","4019","4023","10.1039/d0ob00814a","","","0.71073","MoKα","","0.0492","0.0402","","","0.1065","0.1132","","","","","","1.067","","","","has coordinates","252931","2020-10-21","18:00:00",""
"7157502","9.3559","0.0002","9.3559","0.0002","60.611","0.003","90","","90","","90","","5305.5","0.3","292.01","0.1","292.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C208 H192 N16 O16 S8 -","8","1","","Yang, Junxian; He, Zeyuan; Hong, Liang; Sun, Wangsheng; Wang, Rui","Asymmetric N-aminoalkylation of 3-substituted indoles by N-protected N,O-acetals: an access to chiral propargyl aminals.","Organic & biomolecular chemistry","2020","18","22","4169","4173","10.1039/d0ob00795a","","","1.54184","CuKα","","0.095","0.087","","","0.2483","0.2589","","","","","","0.868","","","","has coordinates,has disorder","253977","2020-10-21","18:00:00",""
"7157503","10.372","0.0003","12.8487","0.0004","21.0007","0.0008","90","","90","","90","","2798.69","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","","1.54184","CuKα","","0.0613","0.0518","","","0.1352","0.1471","","","","","","1.055","","","","has coordinates,has disorder","257924","2020-10-21","18:00:00",""
"7157504","8.947","0.0018","16.934","0.003","18.608","0.004","90","","90","","90","","2819.3","1","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C128 H104 Cl8 N16 O8 -","8","1","","Hu, Fang-Peng; Cui, Xin-Feng; Lu, Guo-Qiang; Huang, Guo-Sheng","Base-promoted Lewis acid catalyzed synthesis of quinazoline derivatives.","Organic & biomolecular chemistry","2020","18","23","4376","4380","10.1039/d0ob00225a","","","0.71073","MoKα","","0.0881","0.0614","","","0.1758","0.2017","","","","","","1.003","","","","has coordinates","257921","2020-10-21","18:00:00",""
"7157505","4.9529","0.0007","11.1696","0.0016","13.2334","0.0019","112.623","0.001","99.49","0.002","94.354","0.002","658.67","0.16","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Yang, Huiyong; Xu, Jun; Zhang, Yilan; He, Lei; Zhang, Pengfei; Li, Wanmei","Synthesis of quinazoin-4-ones through an acid ion exchange resin mediated cascade reaction.","Organic & biomolecular chemistry","2020","18","23","4406","4414","10.1039/d0ob00881h","","","0.71073","MoKα","","0.0702","0.0452","","","0.1149","0.1277","","","","","","1.064","","","","has coordinates","257919","2020-10-21","18:00:00",""
"7157506","19.7432","0.0016","18.485","0.002","10.3179","0.001","90","","99.181","0.008","90","","3717.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br N2 -","- C19 H23 Br N2 -","- C152 H184 Br8 N16 -","8","2","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71073","MoKα","","0.1642","0.071","","","0.1999","0.2609","","","","","","1.027","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157507","12.988","0.002","15.255","0.002","14.374","0.002","90","","104.275","0.004","90","","2760","0.7","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl N3 O -","- C21.6 Cl3.2 N2.4 O0.8 -","- C108 Cl16 N12 O4 -","5","1.25","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.1398","0.1178","","","0.3791","0.4069","","","","","","1.717","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157508","8.5523","0.0011","10.6764","0.0014","20.418","0.003","90","","93.693","0.004","90","","1860.5","0.4","113","","113","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.06","0.0426","","","0.1073","0.1149","","","","","","1.065","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157509","18.7816","0.0014","29.0379","0.0017","19.9928","0.0015","90","","115.493","0.0014","90","","9842","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl N3 O2 -","- C27 H30 Cl N3 O2 -","- C432 H480 Cl16 N48 O32 -","16","4","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.0714","0.0462","","","0.1113","0.1228","","","","","","1.032","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157510","13.9531","0.0013","18.3735","0.0017","12.488","0.0012","90","","90.003","0.003","90","","3201.5","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N2 O2 -","- C14 H23 Cl N2 O2 -","- C112 H184 Cl8 N16 O16 -","8","2","","He, Xinwei; Yang, Cheng; Wu, Yinsong; Xie, Mengqing; Li, Ruxue; Duan, Jiahui; Shang, Yongjia","Synthesis of unsymmetrical urea derivatives via one-pot sequential three-component reactions of cyclic 2-diazo-1,3-diketones, carbodiimides, and 1,2-dihaloethanes.","Organic & biomolecular chemistry","2020","18","22","4178","4182","10.1039/d0ob00683a","","","0.71073","MoKα","","0.104","0.058","","","0.142","0.1678","","","","","","1.018","","","","has coordinates,has disorder","253978","2020-10-21","18:00:00",""
"7157511","12.7318","0.001","9.1027","0.0007","20.8094","0.0015","90","","96.677","0.002","90","","2395.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRVS1","","","- C28 H20 N4 O4 S2 -","- C28 H20 N4 O4 S2 -","- C112 H80 N16 O16 S8 -","4","1","","Singh, Manpreet; Vaishali, ?; Paul, Avijit Kumar; Singh, Virender","Isatin as a 2-aminobenzaldehyde surrogate: transition metal-free efficient synthesis of 2-(2'-aminophenyl)benzothiazole derivatives.","Organic & biomolecular chemistry","2020","18","23","4459","4469","10.1039/d0ob00888e","","","0.71073","MoKα","","0.0715","0.0415","","","0.1041","0.1191","","","","","","1.069","","","","has coordinates","257920","2020-10-21","18:00:00",""
"7157512","27.604","0.002","7.7285","0.0006","5.8633","0.0005","90","","90","","90","","1250.86","0.17","170","2","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N S2 -","- C14 H11 N S2 -","- C56 H44 N4 S8 -","4","1","","Wang, Dungai; Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Zhou, Yifeng; Pan, Yuanjiang","Synthesis of unsymmetrical disulfides via PPh<sub>3</sub>-mediated reductive coupling of thiophenols with sulfonyl chlorides.","Organic & biomolecular chemistry","2020","18","23","4447","4451","10.1039/d0ob00804d","","","0.71073","MoKα","","0.0319","0.0293","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","257925","2020-10-21","18:00:00",""
"7157513","8.2789","0.0003","13.5084","0.0005","29.7538","0.0012","90","","90","","90","","3327.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H18 B F2 N O2 S -","- C15 H18 B F2 N O2 S -","- C120 H144 B8 F16 N8 O16 S8 -","8","1","","Wei, Jun; Bao, Kun; Wang, Yuan; Sheng, Rong; Hu, Jinbo","Novel usage of 2-BTSO<sub>2</sub>CF<sub>2</sub>H for metal-free electrophilic difluoroalkanethiolation of indoles.","Organic & biomolecular chemistry","2020","18","24","4556","4559","10.1039/d0ob00872a","","","0.71073","MoKα","","0.0869","0.0674","","","0.184","0.2059","","","","","","1.024","","","","has coordinates,has disorder","253970","2020-10-21","18:00:00",""
"7157514","27.487","0.002","11.9733","0.001","19.9835","0.0017","90","","132.48","0.009","90","","4850.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 B F2 N4 O6 -","- C59 H59 B F2 N4 O6 -","- C236 H236 B4 F8 N16 O24 -","4","0.5","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-based anion-responsive π-electronic molecules as fluorescence sensors responsive to multiple stimuli.","Organic & biomolecular chemistry","2020","18","23","4433","4438","10.1039/d0ob00952k","","","0.4115","Synchrotron","","0.042","0.0385","","","0.1017","0.1046","","","","","","1.053","","","","has coordinates","257923","2020-10-21","18:00:00",""
"7157515","10.6091","0.0005","11.9396","0.0005","20.1405","0.0008","103.598","0.004","99.511","0.004","95.686","0.004","2420.12","0.19","292.01","0.1","292.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O6 -","- C28 H25 N O6 -","- C112 H100 N4 O24 -","4","2","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","","1.54184","CuKα","","0.0751","0.0526","","","0.1282","0.1479","","","","","","1.025","","","","has coordinates","253971","2020-10-21","18:00:00",""
"7157516","9.6348","0.0005","10.2842","0.0005","11.504","0.0005","103.149","0.004","104.108","0.004","94.618","0.004","1065.31","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","1","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","x-ray","1.54184","CuKα","","0.0409","0.0377","","","0.0926","0.0952","","","","","","1.032","","","","has coordinates","253971","2020-10-21","18:00:00",""
"7157517","25.0521","0.0011","25.0521","0.0011","15.1716","0.0018","90","","90","","90","","9521.8","1.3","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[5]rotaxane","","- C192 H224 B6 F24 N8 O48 -","- C192 H224 B6 F24 N8 O48 -","- C384 H448 B12 F48 N16 O96 -","2","0.25","","Martinez-Bulit, Pablo; Wilson, Benjamin H.; Loeb, Stephen J.","One-pot synthesis of porphyrin-based [5]rotaxanes.","Organic & biomolecular chemistry","2020","18","23","4395","4400","10.1039/d0ob00906g","","x-ray","1.54184","CuKα","","0.2752","0.1892","","","0.4626","0.5216","","","","","","1.677","","","","has coordinates,has disorder","257926","2020-10-21","18:00:00",""
"7157518","10.486","0.005","11.704","0.006","13.581","0.007","87.493","0.009","84.584","0.008","66.838","0.007","1525.5","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H44 B10 O4 -","- C22 H44 B10 O4 -","- C44 H88 B20 O8 -","2","1","","Zhang, Chuyi; Wang, Qian; Tian, Song; Zhang, Jianwei; Li, Jiaoyi; Zhou, Ling; Lu, Jian","Palladium-catalyzed regioselective synthesis of B(4,5)- or B(4)-substituted o-carboranes containing α,β-unsaturated carbonyls.","Organic & biomolecular chemistry","2020","18","25","4723","4727","10.1039/d0ob00698j","","","0.71073","MoKα","","0.112","0.0835","","","0.2398","0.2813","","","","","","1.046","","","","has coordinates","253984","2020-10-21","18:00:00",""
"7157519","9.25182","0.00019","14.2225","0.0003","10.38203","0.00019","90","","106.464","0.002","90","","1310.1","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O S -","- C32 H29 N O S -","- C64 H58 N2 O2 S2 -","2","1","","Li, Ying-Xian; Cheng, Cheng; Tang, Lei; Yang, Yuan-Yong","Palladium catalyzed asymmetric allylic alkylation of isoquinolinedione derivatives in the preparation of quaternary carbon stereocenters.","Organic & biomolecular chemistry","2020","18","24","4551","4555","10.1039/d0ob00765j","","x-ray","1.54184","CuKα","","0.0369","0.036","","","0.1005","0.1027","","","","","","1.056","","","","has coordinates","253968","2020-10-21","18:00:00",""
"7157520","18.271","0.003","8.4386","0.0016","12.378","0.0019","90","","93.24","0.006","90","","1905.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4.75 H5 N O1.25 -","- C4.75 H5 N O1.25 -","- C76 H80 N16 O20 -","16","4","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0867","0.0718","","","0.1965","0.2081","","","","","","1.048","","","","has coordinates","257922","2020-10-21","18:00:00",""
"7157521","7.2978","0.0006","8.2873","0.0008","14.1639","0.0013","97.85","0.004","94.308","0.003","110.859","0.003","785.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5.67 H6.33 N O -","- C5.66667 H6.33333 N O -","- C34 H38 N6 O6 -","6","3","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0465","0.0401","","","0.1082","0.1129","","","","","","1.041","","","","has coordinates","257922","2020-10-21","18:00:00",""
"7157522","6.5916","0.0013","4.0692","0.0007","26.512","0.006","90","","94.367","0.009","90","","709.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl0.14 N0.43 O0.29 -","- C2 H2 Cl0.142857 N0.428571 O0.285714 -","- C28 H28 Cl2 N6 O4 -","14","7","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0438","0.0352","","","0.0839","0.0876","","","","","","1.075","","","","has coordinates","257922","2020-10-21","18:00:00",""
"7157523","7.016","0.002","16.476","0.006","19.291","0.006","90","","90","","90","","2230","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br3 N O2 -","- C8 H6 Br3 N O2 -","- C64 H48 Br24 N8 O16 -","8","1","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0945","0.0669","","","0.1487","0.1604","","","","","","1.002","","","","has coordinates","253974","2020-10-21","18:00:00",""
"7157524","15.726","0.01","10.425","0.005","13.63","0.008","90","","121.565","0.008","90","","1903.9","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Br2 N2 O4 Te -","- C16 H12 Br2 N2 O4 Te -","- C64 H48 Br8 N8 O16 Te4 -","4","0.5","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0437","0.0339","","","0.072","0.0764","","","","","","1.041","","","","has coordinates","253974","2020-10-21","18:00:00",""
"7157525","10.0037","0.0001","20.2706","0.0002","13.2122","0.0001","90","","92.231","0.001","90","","2677.15","0.04","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C124 H132 N4 O12 -","4","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54184","CuKα","","0.0633","0.0585","","","0.1632","0.169","","","","","","1.053","","","","has coordinates","253973","2020-10-21","18:00:00",""
"7157526","9.4791","0.0002","9.7988","0.0002","15.518","0.0004","83.644","0.001","83.34","0.001","62.855","0.001","1271.23","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C62 H66 N2 O6 -","2","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54178","CuKα","","0.0403","0.0389","","","0.0931","0.094","","","","","","1.044","","","","has coordinates","253973","2020-10-21","18:00:00",""
"7157527","10.205","","23.555","","23.364","","90","","95.62","","90","","5589.21","","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C60-derivative","C60-derivative","","- C96 H31 N O S2 -","- C96 H31 N O S2 -","- C384 H124 N4 O4 S8 -","4","1","","Yang, Yong; Niu, Chuang; Chen, Muqing; Yang, Shangfeng; Wang, Guan-Wu","Electrochemical regioselective alkylations of a [60]fulleroindoline with bulky alkyl bromides.","Organic & biomolecular chemistry","2020","18","25","4783","4787","10.1039/d0ob00876a","","","0.71073","synchrotron","","0.1196","0.1151","","","0.2902","0.2931","","","","","","1.082","","","","has coordinates","253983","2020-10-21","18:00:00",""
"7157528","10.8717","0.0003","10.7087","0.0003","15.1761","0.0004","90","","95.029","0.002","90","","1760.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F3 O2 -","- C20 H21 F3 O2 -","- C80 H84 F12 O8 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0365","0.0339","","","0.089","0.0915","","","","","","1.013","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157529","24.336","0.0011","7.1684","0.0003","16.7513","0.0008","90","","90","","90","","2922.3","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 O2 -","- C17 H17 F3 O2 -","- C136 H136 F24 O16 -","8","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0468","0.0369","","","0.0935","0.0989","","","","","","1.039","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157530","12.0518","0.0006","11.0358","0.0004","18.5393","0.0009","90","","103.931","0.005","90","","2393.22","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl F3 O4 -","- C26 H26 Cl F3 O4 -","- C104 H104 Cl4 F12 O16 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0523","0.0458","","","0.1285","0.133","","","","","","1.052","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157531","13.8943","0.0004","9.9889","0.0003","15.0537","0.0004","90","","99.237","0.003","90","","2062.19","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 O4 S -","- C23 H21 F3 O4 S -","- C92 H84 F12 O16 S4 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0352","0.032","","","0.089","0.0912","","","","","","1.041","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157532","12.2311","0.0004","5.5378","0.0002","13.6984","0.0004","90","","95.773","0.002","90","","923.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 Se -","- C23 H18 O3 Se -","- C46 H36 O6 Se2 -","2","1","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(i) catalyzed synthesis of selanyl methylene 4-chromanol and aurone derivatives.","Organic & biomolecular chemistry","2020","18","24","4619","4627","10.1039/d0ob00632g","","","0.71073","MoKα","","0.0238","0.0211","","","0.0487","0.0498","","","","","","1.033","","","","has coordinates","253976","2020-10-21","18:00:00",""
"7157533","16.6385","0.0013","14.3268","0.0008","7.7041","0.0005","90","","100.731","0.007","90","","1804.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br N2 O3 -","- C20 H17 Br N2 O3 -","- C80 H68 Br4 N8 O12 -","4","1","","Shi, Yaqi; Yang, Fan; Wu, Yangjie","Palladium-catalyzed C8-H alkoxycarbonylation of 1-naphthylamines with alkyl chloroformates.","Organic & biomolecular chemistry","2020","18","24","4628","4637","10.1039/d0ob00586j","","x-ray","1.54184","CuKα","","0.0755","0.0486","","","0.1062","0.1265","","","","","","1.053","","","","has coordinates","253975","2020-10-21","18:00:00",""
"7157534","5.2366","0.0001","35.3229","0.0003","14.5684","0.0001","90","","95.522","0.001","90","","2682.24","0.06","120","2","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl N3 O14 S -","- C59 H56 Cl N3 O14 S -","- C118 H112 Cl2 N6 O28 S2 -","2","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0415","0.0396","","","0.104","0.1051","","","","","","1.115","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157535","8.1104","0.0002","19.5548","0.0006","27.2321","0.0019","90","","90","","90","","4318.9","0.3","164","2","164","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl N3 O14 -","- C44 H45.9996 Cl N3 O14 -","- C176 H183.998 Cl4 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","","1.54178","CuKα","","0.0813","0.0625","","","0.1705","0.1892","","","","","","1.095","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157536","8.0833","0.0002","18.7876","0.0007","26.8116","0.0012","90","","90","","90","","4071.8","0.3","120","2","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 N3 O14 -","- C43 H45 N3 O14 -","- C172 H180 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0721","0.0564","","","0.1354","0.1464","","","","","","1.054","","","","has coordinates","253981","2020-10-21","18:00:00",""
"7157537","10.546","0.003","12.611","0.003","12.642","0.003","109.078","0.003","94.549","0.003","91.826","0.003","1581","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Cl3 N O2 P -","- C33 H37 Cl3 N O2 P -","- C66 H74 Cl6 N2 O4 P2 -","2","1","","Jiang, Shuai-Shuai; Xiao, Yu-Ting; Wu, Yan-Chen; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng","Manganese(iii)-promoted tandem phosphinoylation/cyclization of 2-arylindoles/2-arylbenzimidazoles with disubstituted phosphine oxides.","Organic & biomolecular chemistry","2020","18","25","4843","4847","10.1039/d0ob00877j","","","0.71073","MoKα","","0.0681","0.054","","","0.1406","0.1524","","","","","","1.039","","","","has coordinates","253982","2020-10-21","18:00:00",""
"7157538","15.1872","0.0009","16.3092","0.001","34.3428","0.0019","90","","90","","90","","8506.4","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N3 O6 -","- C25 H19 N3 O6 -","- C400 H304 N48 O96 -","16","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.233","0.079","","","0.1212","0.1657","","","","","","1.005","","","","has coordinates","255093","2020-10-21","18:00:00",""
"7157539","12.391","0.007","8.165","0.005","21.573","0.012","90","","94.106","0.014","90","","2177","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N3 O5 -","- C25 H16 F3 N3 O5 -","- C100 H64 F12 N12 O20 -","4","1","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.2596","0.0973","","","0.1587","0.224","","","","","","1.017","","","","has coordinates","255093","2020-10-21","18:00:00",""
"7157540","10.9534","0.0008","12.5947","0.0013","13.2276","0.001","100.624","0.008","113.849","0.007","110.012","0.008","1453.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl3 N3 O6 -","- C30 H24 Cl3 N3 O6 -","- C60 H48 Cl6 N6 O12 -","2","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","","1.54184","CuKα","","0.078","0.063","","","0.1702","0.1833","","","","","","1.059","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157541","14.0485","0.0003","13.9573","0.0003","10.3547","0.0003","90","","99.58","0.002","90","","2002.03","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","0.71073","MoKα","","0.0553","0.0415","","","0.0923","0.0991","","","","","","1.022","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157542","10.8248","0.0001","16.4407","0.0001","12.0407","0.0001","90","","109.771","0.001","90","","2016.53","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 N2 O4 -","- C20 H14 Cl4 N2 O4 -","- C80 H56 Cl16 N8 O16 -","4","2","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.058","0.0585","","","","","","1.031","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157543","7.62","0.0015","43.657","0.016","25.19","0.005","90","","90.53","0.03","90","","8380","4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C90 H51 Cl3 -","- C90 H51 Cl3 -","- C360 H204 Cl12 -","4","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0697","0.0654","","","0.1904","0.1941","","","","","","1.1","","","","has coordinates,has disorder","255094","2020-10-21","18:00:00",""
"7157544","7.662","0.0016","15.949","0.0011","14.374","0.002","90","","99.232","0.004","90","","1733.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 -","- C56 H32 -","- C112 H64 -","2","0.5","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0454","0.0436","","","0.1187","0.1205","","","","","","1.056","","","","has coordinates","255094","2020-10-21","18:00:00",""
"7157545","7.9349","0.0002","8.1555","0.0002","11.7247","0.0003","108.099","0.002","92.6644","0.0019","92.6","0.002","718.99","0.03","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br I O2 -","- C15 H10 Br I O2 -","- C30 H20 Br2 I2 O4 -","2","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","1.54184","CuKα","","0.0415","0.0407","","","0.109","0.1095","","","","","","1.075","","","","has coordinates,has disorder","255094","2020-10-21","18:00:00",""
"7157546","12.174","0.002","12.709","0.003","12.335","0.003","90","","117.06","0.03","90","","1699.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C80 H64 Cl4 N12 O8 -","4","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0405","0.0353","","","0.0905","0.0943","","","","","","1.034","","","","has coordinates","255095","2020-10-21","18:00:00",""
"7157547","35.957","0.003","6.1171","0.0005","19.5083","0.0015","90","","96.604","0.002","90","","4262.4","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl N3 O3 S -","- C20 H16 Cl N3 O2 -","- C160 H128 Cl8 N24 O16 -","8","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0764","0.0668","","","0.1951","0.2045","","","","","","1.059","","","","has coordinates,has disorder","255095","2020-10-21","18:00:00",""
"7157548","27.7141","0.0013","6.4562","0.0003","20.6251","0.001","90","","128.18","0.001","90","","2900.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C144 H112 N32 O8 -","8","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0646","0.0491","","","0.1358","0.1476","","","","","","1.063","","","","has coordinates","255092","2020-10-21","18:00:00",""
"7157549","10.0257","0.0007","13.4533","0.0008","10.8045","0.0007","90","","108.456","0.002","90","","1382.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0862","0.0532","","","0.1301","0.1615","","","","","","1.034","","","","has coordinates","255092","2020-10-21","18:00:00",""
"7157550","7.2231","0.0002","14.5123","0.0004","22.3944","0.0006","90","","90","","90","","2347.47","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5","","","- C16 H17 N -","- C16 H17 N -","- C128 H136 N8 -","8","2","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","1.54178","CuKα","","0.0331","0.0318","","","0.0806","0.0818","","","","","","1.041","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157551","27.1498","0.0009","10.3031","0.0003","11.3085","0.0004","90","","91.1403","0.0016","90","","3162.67","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8","","","- C20 H26 N O -","- C20 H26 N O -","- C160 H208 N8 O8 -","8","1","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","0.71073","MoKα","","0.0607","0.046","","","0.1193","0.1303","","","","","","1.039","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157552","13.2433","0.0003","13.7134","0.0003","15.7312","0.0004","70.848","0.001","80.596","0.001","66.09","0.001","2465.69","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H33 Cl3 F15 N5 O -","- C55 H33 Cl3 F15 N5 O -","- C110 H66 Cl6 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.116","0.0841","","","0.2201","0.2495","","","","","","1.12","","","","has coordinates,has disorder","255085","2020-10-21","18:00:00",""
"7157553","12.2776","0.0003","13.0559","0.0003","16.5083","0.0004","105.241","0.001","110.613","0.001","98.939","0.002","2297.85","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 Cl6 F15 N5 O -","- C48 H24 Cl6 F15 N5 O -","- C96 H48 Cl12 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.1432","0.0965","","","0.2355","0.2705","","","","","","1.049","","","","has coordinates","255085","2020-10-21","18:00:00",""
"7157554","7.9726","0.0002","30.0112","0.0008","11.2602","0.0003","90","","100.176","0.003","90","","2651.82","0.12","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","2","","Young, Matthew J.; Akien, Geoffrey R.; Evans, Nicholas H.","An amide hydrogen bond templated [1]rotaxane displaying a peptide motif - demonstrating an expedient route to synthetic mimics of lasso peptides.","Organic & biomolecular chemistry","2020","18","27","5203","5209","10.1039/d0ob01190h","","x-ray","1.54184","CuKα","","0.0667","0.0639","","","0.1809","0.1835","","","","","","1.074","","","","has coordinates,has disorder","255089","2020-10-21","18:00:00",""
"7157555","10.382","0.003","15.766","0.004","20.036","0.006","90","","90","","90","","3279.5","1.6","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Br N O2 -","- C38 H40 Br N O2 -","- C152 H160 Br4 N4 O8 -","4","1","","Wu, Shu-Fang; Tu, Man-Su; Hang, Qing-Qing; Zhang, Shu; Ding, Haixia; Zhang, Yu-Chen; Shi, Feng","Construction of chiral chroman scaffolds via catalytic asymmetric (4 + 2) cyclizations of para-quinone methide derivatives with 3-vinylindoles.","Organic & biomolecular chemistry","2020","18","28","5388","5399","10.1039/d0ob01049a","","","0.71073","MoKα","","0.1011","0.0594","","","0.1422","0.1594","","","","","","1.031","","","","has coordinates","255086","2020-10-21","18:00:00",""
"7157556","25.7843","0.0004","5.307","0.0001","18.5521","0.0003","90","","95.228","0.001","90","","2528.06","0.07","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.75 H27 Br N2 O4 -","- C28.75 H27 Br N2 O4 -","- C115 H108 Br4 N8 O16 -","4","1","","Roesner, Stefan; Beadle, Jonathan D.; Tam, Leo K. B.; Wilkening, Ina; Clarkson, Guy J.; Raubo, Piotr; Shipman, Michael","Development of oxetane modified building blocks for peptide synthesis.","Organic & biomolecular chemistry","2020","18","28","5400","5405","10.1039/d0ob01208d","","x-ray","1.54178","CuKα","","0.0775","0.0722","","","0.1947","0.2005","","","","","","1.054","","","","has coordinates,has disorder","255087","2020-10-21","18:00:00",""
"7157557","11.536","0.002","8.2902","0.0017","18.32","0.004","90","","108.28","0.03","90","","1663.6","0.6","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0626","0.0449","","","0.1149","0.1329","","","","","","1.121","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157558","20.474","0.005","20.474","0.005","9.72","0.003","90","","90","","90","","4074.5","1.9","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C21 H16.5 Br2 O2.25 -","- C21 H16 Br2 O2.25 -","- C168 H128 Br16 O18 -","8","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0829","0.0651","","","0.1948","0.214","","","","","","1.08","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157559","9.99","0.004","10.558","0.004","21.868","0.009","78.978","0.012","77.06","0.01","85.471","0.013","2204.9","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C112 H96 O8 S4 -","4","2","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0707","0.0559","","","0.1213","0.1295","","","","","","1.118","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157560","16.94","0.003","10.721","0.002","10.61","0.002","90","","101.81","0.03","90","","1886.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0601","0.0361","","","0.0855","0.0952","","","","","","0.933","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157561","19.4194","0.0006","6.3668","0.0002","42.5242","0.0013","90","","90","","90","","5257.7","0.3","110","1","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H32 F2 O2 -","- C33 H32 F2 O2 -","- C264 H256 F16 O16 -","8","2","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0995","0.0612","","","0.1448","0.1611","","","","","","0.874","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157562","15.0563","0.0004","9.004","0.0002","17.4709","0.0005","90","","100.4","0.002","90","","2329.57","0.11","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 F2 N2 -","- C27 H26 F2 N2 -","- C108 H104 F8 N8 -","4","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0713","0.042","","","0.1121","0.1235","","","","","","0.932","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157563","13.0983","0.0004","14.8761","0.0004","16.8995","0.0005","89.435","0.002","81.488","0.003","87.41","0.003","3253.28","0.17","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H74 Cl4 F4 N4 O5 -","- C70 H74 Cl4 F4 N4 O5 -","- C140 H148 Cl8 F8 N8 O10 -","2","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.1524","0.0588","","","0.1371","0.1608","","","","","","0.884","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157564","10.295","0.009","11.374","0.008","36.37","0.03","90","","90","","90","","4259","6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N6 O7 S2 -","- C46 H45 N6 O7 S2 -","- C184 H180 N24 O28 S8 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.3148","0.1246","","","0.2737","0.3622","","","","","","1","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157565","5.4636","0.001","15.231","0.003","18.032","0.004","90","","90","","90","","1500.6","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl2 N4 O4 -","- C11 H20 Cl2 N4 O4 -","- C44 H80 Cl8 N16 O16 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.0587","0.0524","","","0.1395","0.1438","","","","","","1.086","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157566","12.1801","0.00012","12.77485","0.0001","25.8213","0.0002","90","","90","","90","","4017.77","0.06","100","0.1","100.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C176 H184 Cl4 Fe8 N8 O8 P4 Pd8 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher J.","Planar chiral palladacycle precatalysts for asymmetric synthesis.","Organic & biomolecular chemistry","2020","18","28","5466","5472","10.1039/d0ob01331e","","x-ray","0.71073","MoKα","","0.015","0.0147","","","0.0377","0.0378","","","","","","1.068","","","","has coordinates","255088","2020-10-21","18:00:00",""
"7157567","6.155","0.0005","15.283","0.0011","10.6069","0.0009","90","","94.491","0.006","90","","994.69","0.14","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C50 H38 F2 N4 O4 -","2","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Sushmita, ?; Verma, Akhilesh K.","Synthesis of cyclopentaquinolinone and cyclopentapyridinone from ortho-alkynyl-N-arylaldehyde via superbase-promoted C-N, C-O and C-C bond formation.","Organic & biomolecular chemistry","2020","18","29","5594","5601","10.1039/d0ob01281e","","","0.71073","MoKα","","0.0987","0.0579","","","0.1079","0.1348","","","","","","1.007","","","","has coordinates","255081","2020-10-21","18:00:00",""
"7157568","16.8293","0.0003","16.2265","0.0002","20.227","0.0003","90","","109.526","0.0019","90","","5205.93","0.15","141.3","0.2","141.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 F3 N6 O -","- C31 H21 F3 N6 O -","- C248 H168 F24 N48 O8 -","8","2","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0706","0.0632","","","0.1728","0.1825","","","","","","1.024","","","","has coordinates","255082","2020-10-21","18:00:00",""
"7157569","12.3316","0.0005","12.7106","0.0005","14.1603","0.0006","90","","90","","90","","2219.51","0.16","139","","139","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0563","0.0539","","","0.1424","0.1454","","","","","","1.066","","","","has coordinates","255082","2020-10-21","18:00:00",""
"7157570","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol solvate","2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethanol solvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates","257924","2020-10-21","18:00:00",""
"7157571","5.6626","0.0004","9.7839","0.0008","32.396","0.002","90","","89.786","0.006","90","","1794.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br O -","- C23 H21 Br O -","- C92 H84 Br4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.71073","MoKα","","0.0685","0.0464","","","0.0918","0.1026","","","","","","1.031","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157572","9.3505","0.0004","14.6227","0.0006","13.7913","0.0006","90","","94.177","0.004","90","","1880.67","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br2 O -","- C22 H20 Br2 O -","- C88 H80 Br8 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","x-ray","0.71073","MoKα","","0.0442","0.0318","","","0.069","0.0749","","","","","","1.064","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157573","9.541","0.003","16.928","0.005","12.1","0.004","90","","102.664","0.004","90","","1906.7","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br2 N O -","- C23 H17 Br2 N O -","- C92 H68 Br8 N4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.7107","MoKα","","0.045","0.0365","","","0.0815","0.0832","","","","","","0.941","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157574","8.002","0.0016","12.123","0.002","12.728","0.003","75.11","0.03","76.29","0.03","77.95","0.03","1144.8","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","","Cheng, Cheng; Sun, Xiaobin; Miao, Zhiwei","A PPh<sub>3</sub>-catalyzed sequential annulation reaction to construct cyclopentane-fused dihydropyrazolone-pyrrolidinediones.","Organic & biomolecular chemistry","2020","18","29","5577","5581","10.1039/d0ob00815j","","","0.71073","MoKα","","0.0849","0.0524","","","0.1247","0.1699","","","","","","1.013","","","","has coordinates","255084","2020-10-21","18:00:00",""
"7157575","9.2914","0.0001","14.7113","0.0002","9.9029","0.0001","90","","94.55","0.001","90","","1349.35","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1S,2R)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2-fluorophenyl)-2-phenylethyl)furan-3-carbaldehyde","","- C33 H35 F O3 -","- C33 H35 F O3 -","- C66 H70 F2 O6 -","2","1","","Przydacz, Artur; Dyguda, Mateusz; Topolska, Aleksandra; Skrzyńska, Anna; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Doubly vinylogous and doubly rearomative functionalization of 2-alkyl-3-furfurals.","Organic & biomolecular chemistry","2020","18","30","5816","5821","10.1039/d0ob00788a","","x-ray","1.54184","CuKα","","0.032","0.0313","","","0.0927","0.0931","","","","","","1.079","","","","has coordinates","257912","2020-10-21","18:00:00",""
"7157576","12.1334","0.0013","10.35","0.0011","18.7632","0.0018","90","","95.327","0.01","90","","2346.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 O8 -","- C58 H60 O8 -","- C116 H120 O16 -","2","0.5","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1488","0.0691","","","0.1184","0.163","","","","","","1.006","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157577","19.904","0.0006","11.4024","0.0004","21.6619","0.0007","90","","90","","90","","4916.2","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H30 O4 -","- C29 H30 O4 -","- C232 H240 O32 -","8","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1223","0.1309","","","","","","1.164","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157578","8.648","0.0007","17.1737","0.0013","18.084","0.0017","90","","98.244","0.008","90","","2658","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 -","- C30 H30 O4 -","- C120 H120 O16 -","4","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1276","0.0738","","","0.1989","0.271","","","","","","1.057","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157579","8.1345","0.0002","11.3251","0.0003","19.1576","0.0005","90","","92.945","0.007","90","","1762.54","0.08","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 Cl -","- C26 H15 Cl -","- C104 H60 Cl4 -","4","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0774","0.0581","","","0.1402","0.1529","","","","","","1.027","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157580","7.5655","0.0002","10.9027","0.0003","11.088","0.0003","113.594","0.008","103.447","0.007","93.898","0.007","801.74","0.08","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C46 H34 Cl2 -","2","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0508","0.0459","","","0.1253","0.1279","","","","","","1.113","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157581","19.2706","0.0014","4.9741","0.0004","33.688","0.002","90","","102.847","0.007","90","","3148.3","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C184 H136 Cl8 -","8","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.1933","0.0883","","","0.132","0.1586","","","","","","1.031","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157582","10.333","0.004","10.46","0.004","11.583","0.005","88.838","0.005","68.455","0.005","79.684","0.006","1144.2","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O2 -","- C29 H20 F3 N O2 -","- C58 H40 F6 N2 O4 -","2","1","","Zhang, Yi-Zhu; Sheng, Feng-Tao; Zhu, Zuoquan; Li, Zhi-Ming; Zhang, Shu; Tan, Wei; Shi, Feng","Organocatalytic C3-functionalization of indolizines: synthesis of biologically important indolizine derivatives.","Organic & biomolecular chemistry","2020","18","29","5688","5696","10.1039/d0ob01230k","","","0.71073","MoKα","","0.0887","0.0555","","","0.142","0.1617","","","","","","1.034","","","","has coordinates,has disorder","255078","2020-10-21","18:00:00",""
"7157583","4.837","0.0016","12.644","0.004","18.82","0.007","90","","91.7","0.006","90","","1150.5","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F3 O3 S -","- C10 H9 F3 O3 S -","- C40 H36 F12 O12 S4 -","4","1","","Wang, Meng-Yue; Zhu, Xue-Qing; Zhang, Xing-Long; Guo, Rui-Li; Jia, Qiong; Wang, Yong-Qiang","Synthesis of trifluoromethylthioesters from aldehydes via a visible light-promoted radical process.","Organic & biomolecular chemistry","2020","18","30","5918","5926","10.1039/d0ob01160f","","","0.71073","MoKα","","0.0861","0.0512","","","0.116","0.1315","","","","","","1.013","","","","has coordinates","257915","2020-10-21","18:00:00",""
"7157584","23.1727","0.0009","29.8856","0.0016","8.3703","0.0003","90","","90","","90","","5796.7","0.4","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(E)-11,13-bis(benzyloxy)-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C33 H36 O5 -","- C33 H36 O5 -","- C264 H288 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","1.54178","CuKα","","0.1735","0.1103","","","0.2688","0.3518","","","","","","1.065","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7157585","7.2297","0.0006","15.8502","0.0009","25.683","0.002","90","","95.935","0.007","90","","2927.3","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-11,13-bis(benzyloxy)-9-ethyl-4,5,5-trimethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C34 H38 O5 -","- C34 H38 O5 -","- C136 H152 O20 -","4","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.1988","0.1002","","","0.1559","0.2032","","","","","","1.135","","","","has coordinates,has disorder","257914","2020-10-21","18:00:00",""
"7157586","11.1913","0.0005","36.617","0.002","8.3725","0.0005","90","","90","","90","","3431","0.3","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-14-chloro-11,13-dihydroxy-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C152 H184 Cl8 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.0651","0.0472","","","0.1008","0.114","","","","","","1.07","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7157587","7.5792","0.0005","17.262","0.0008","7.5865","0.0003","90","","95.065","0.005","90","","988.68","0.09","293.61","0.1","293.61","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0573","0.0451","","","0.1163","0.1279","","","","","","1.033","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157588","32.6901","0.0005","12.36143","0.00017","7.35394","0.00011","90","","90","","90","","2971.7","0.08","294.04","0.1","294.04","0.1","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0445","0.0396","","","0.1035","0.1081","","","","","","1.028","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157589","10.2175","0.0005","13.7827","0.0005","12.933","0.0005","90","","111.529","0.005","90","","1694.22","0.14","293.83","0.1","293.83","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.062","0.0508","","","0.1343","0.1469","","","","","","1.065","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157590","8.3946","0.0002","11.481","0.0003","15.2872","0.0004","90","","90","","90","","1473.36","0.06","292.64","0.1","292.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0319","0.0288","","","0.0696","0.0718","","","","","","1.053","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157591","27.5479","0.0008","6.3331","0.0002","18.4336","0.0005","90","","91.28","0.003","90","","3215.19","0.16","292.1","0.1","292.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0432","0.0391","","","0.1074","0.1114","","","","","","1.057","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157592","9.8324","0.0003","10.2354","0.0003","15.6234","0.0005","103.229","0.001","97.742","0.001","105.191","0.001","1445.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N O3 -","- C38 H29 N O3 -","- C76 H58 N2 O6 -","2","1","","Yang, Ye-Fei; Huang, Xiao-Bo; Gao, Wen-Xia; Zhou, Yun-Bing; Liu, Miao-Chang; Wu, Hua-Yue","Ag<sub>2</sub>O-promoted ring-opening reactions of cyclopropenones with oximes.","Organic & biomolecular chemistry","2020","18","30","5822","5825","10.1039/d0ob00601g","","","0.71073","MoKα","","0.0554","0.041","","","0.0995","0.111","","","","","","1.044","","","","has coordinates","257917","2020-10-21","18:00:00",""
"7157593","9.0969","0.0008","11.7978","0.0008","14.1107","0.0011","90","","97.79","0.008","90","","1500.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O S2 -","- C15 H14 N2 O S2 -","- C60 H56 N8 O4 S8 -","4","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.0551","0.0425","","","0.107","0.1326","","","","","","0.425","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157594","8.4509","0.0008","10.7362","0.0009","11.5735","0.0009","108.414","0.007","104.992","0.007","100.036","0.007","924.09","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Br N3 O2 S -","- C20 H14 Br N3 O2 S -","- C40 H28 Br2 N6 O4 S2 -","2","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.1028","0.0661","","","0.2086","0.2492","","","","","","0.864","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157595","8.2991","0.0006","9.0692","0.0006","13.6609","0.0009","94.077","0.005","104.535","0.006","105.981","0.006","945.91","0.12","298","","298","","","","","","","","","3","P -1","-P 1","2","","abc","","- C23 H26 N2 -","- C23 H26 N2 -","- C46 H52 N4 -","2","1","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.1232","0.063","","","0.1249","0.1583","","","","","","1.0431","","","","has coordinates","256163","2020-10-21","18:00:00",""
"7157596","9.0216","0.0003","10.1719","0.0003","17.318","0.0007","90","","101.519","0.004","90","","1557.21","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","prs315B","","- C2.483 H2.345 N0.138 S0.138 -","- C2.48276 H2.34483 N0.137931 S0.137931 -","- C72 H68 N4 S4 -","29","7.25","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.0675","0.045","","","0.0899","0.099","","","","","","1.0456","","","","has coordinates","256163","2020-10-21","18:00:00",""
"7157597","7.6988","0.0002","11.4847","0.0003","30.9861","0.0009","90","","90","","90","","2739.74","0.13","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C136 H104 N8 O16 S8 -","8","1","","Dai, Tianzi; Cui, Chen; Qi, Xueyu; Cheng, Yanshu; He, Qian; Zhang, Xiaofei; Luo, Xiaomin; Yang, Chunhao","Regioselective synthesis of substituted thiazoles via cascade reactions from 3-chlorochromones and thioamides.","Organic & biomolecular chemistry","2020","18","31","6162","6170","10.1039/d0ob01019g","","","0.71073","MoKα","","0.0635","0.0447","","","0.0974","0.1082","","","","","","1.021","","","","has coordinates","256173","2020-10-21","18:00:00",""
"7157598","7.4364","0.0005","26.4068","0.0016","8.4485","0.0005","90","","94.973","0.002","90","","1652.8","0.18","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.0477","0.0461","","","0.1078","0.1089","","","","","","1.086","","","","has coordinates","258969","2020-11-06","13:12:26",""
"7157599","9.9907","0.0002","8.1808","0.0002","19.0908","0.0005","90","","90.216","0.001","90","","1560.32","0.06","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 S -","- C19 H13 N O3 S -","- C76 H52 N4 O12 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","1.54184","CuKα","","0.0622","0.0589","","","0.1253","0.1269","","","","","","1.226","","","","has coordinates","258969","2020-11-06","13:12:35",""
"7157600","8.107","0.007","11.495","0.009","19.194","0.016","90","","93.585","0.01","90","","1785","3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.1832","0.0956","","","0.2265","0.3164","","","","","","0.966","","","","has coordinates","258969","2020-11-06","13:12:35",""
"7157601","19.975","0.008","4.999","0.002","17.26","0.007","90","","110.614","0.007","90","","1613.1","1.1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Cheng, Bin; Li, Hui; Duan, Shengguo; Zhang, Xinping; He, Yixuan; Li, Yuntong; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and propiolic acid derivatives via a formal [4 + 1] pathway.","Organic & biomolecular chemistry","2020","18","32","6253","6257","10.1039/d0ob01398f","","","0.71073","MoKα","","0.1179","0.0609","","","0.1694","0.2168","","","","","","0.996","","","","has coordinates","256158","2020-10-21","18:00:00",""
"7157602","12.4739","0.0014","7.4371","0.0008","16.2909","0.0019","90","","110.59","0.005","90","","1414.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C68 H64 N8 O4 -","2","0.5","","Aegurla, Balakrishna; Jarwal, Nisha; Peddinti, Rama Krishna","Denitrative imino-diaza-Nazarov cyclization: synthesis of pyrazoles.","Organic & biomolecular chemistry","2020","18","31","6100","6107","10.1039/d0ob01200a","","","0.71073","MoKα","","0.069","0.0472","","","0.1347","0.1794","","","","","","0.597","","","","has coordinates","256174","2020-10-21","18:00:00",""
"7157603","7.4922","0.0019","10.184","0.003","11.624","0.003","87.81","0.004","75.567","0.004","79.756","0.004","845.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 B F4 I O2 -","- C16 H18 B F4 I O2 -","- C32 H36 B2 F8 I2 O4 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.03","0.0283","","","0.0702","0.0709","","","","","","1.032","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157604","12.965","0.002","11.911","0.002","13.389","0.002","90","","102.163","0.003","90","","2021.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 B F4 I O2 -","- C21 H20 B F4 I O2 -","- C84 H80 B4 F16 I4 O8 -","4","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0358","0.0308","","","0.0735","0.0758","","","","","","1.033","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157605","11.995","0.005","14.196","0.006","22.602","0.01","90","","90","","90","","3849","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B F4 I O -","- C21 H18 B F4 I O -","- C168 H144 B8 F32 I8 O8 -","8","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0528","0.0388","","","0.0814","0.0862","","","","","","1.058","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157606","8.4537","0.0014","11.6591","0.0019","12.124","0.002","66.609","0.002","87.336","0.003","76.601","0.002","1065.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F3 I O4 S -","- C22 H18 F3 I O4 S -","- C44 H36 F6 I2 O8 S2 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0323","0.0299","","","0.0735","0.0747","","","","","","1.041","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157607","13.148","0.003","13.175","0.002","16.115","0.003","83.966","0.003","86.472","0.003","60.099","0.003","2406.4","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 I O4 S -","- C28 H25 I O4 S -","- C112 H100 I4 O16 S4 -","4","2","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0503","0.0377","","","0.0713","0.075","","","","","","0.947","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157608","15.542","0.0006","16.5195","0.0006","20.2175","0.0007","74.481","0.002","69.188","0.002","67.602","0.002","4433.3","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H117 N3 O18 S3 -","- C90 H117 N3 O18 S3 -","- C180 H234 N6 O36 S6 -","2","1","","Cera, Gianpiero; Balestri, Davide; Bazzoni, Margherita; Marchiò, Luciano; Secchi, Andrea; Arduini, Arturo","Trisulfonamide calix[6]arene-catalysed Michael addition to nitroalkenes.","Organic & biomolecular chemistry","2020","18","32","6241","6246","10.1039/d0ob01319f","","","1.54178","CuKα","","0.1658","0.0698","","","0.154","0.1963","","","","","","1.003","","","","has coordinates,has disorder","256160","2020-10-21","18:00:00",""
"7157609","15.8835","0.0003","7.9818","0.0002","18.7804","0.0004","90","","98.45","0.001","90","","2355.11","0.09","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis,trans-indigo dimer","","","- C128 H72 N16 O16 -","- C128 H72 N16 O16 -","- C128 H72 N16 O16 -","1","0.25","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.063","0.0474","","","0.1199","0.1297","","","","","","1.048","","","","has coordinates","257913","2020-10-21","18:00:00",""
"7157610","39.337","0.003","13.8936","0.001","28.683","0.002","90","","93.498","0.004","90","","15647","2","90","2","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H17.07 N2.13 O3.2 -","- C28 H17.0667 N2.13333 O3.2 -","- C840 H512 N64 O96 -","30","3.75","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.0763","0.0522","","","0.1395","0.1575","","","","","","0.988","","","","has coordinates,has disorder","257913","2020-10-21","18:00:00",""
"7157611","27.7629","0.0015","10.8917","0.0006","17.5795","0.0009","90","","113.574","0.004","90","","4872.1","0.5","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis,cis-indigo dimer","","","- C256 H152 N32 O36 -","- C256 H152 N32 O36 -","- C256 H152 N32 O36 -","1","0.125","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","1.54184","CuKα","","0.0552","0.0382","","","0.0836","0.0914","","","","","","1.016","","","","has coordinates","257913","2020-10-21","18:00:00",""
"7157612","8.2647","0.0004","19.7204","0.0011","11.6058","0.0006","90","","95.308","0.002","90","","1883.44","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br N O4 S -","- C21 H16 Br N O4 S -","- C84 H64 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0372","0.0278","","","0.0598","0.0629","","","","","","1.041","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157613","11.8834","0.0007","8.8469","0.0005","23.6723","0.0012","90","","91.109","0.002","90","","2488.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N2 O5 -","- C31 H23 N2 O5 -","- C124 H92 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0692","0.0571","","","0.153","0.1635","","","","","","1.034","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157614","13.1453","0.0016","12.9849","0.0018","16.874","0.003","90","","96.328","0.005","90","","2862.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br2 N2 O5 -","- C33 H27 Br2 N2 O5 -","- C132 H108 Br8 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.1029","0.0504","","","0.1123","0.1318","","","","","","1.043","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157615","13.89","0.0007","16.8786","0.0009","17.2527","0.0009","64.295","0.002","88.306","0.002","73.213","0.002","3467.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H28 N2 O5 -","- C39 H28 N2 O5 -","- C156 H112 N8 O20 -","4","2","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0901","0.0572","","","0.1346","0.1558","","","","","","1.039","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157616","13.3171","0.0006","15.1045","0.0007","16.7543","0.0006","77.235","0.002","76.167","0.002","67.821","0.003","2998","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H56 Br4 N4 O12 -","- C66 H56 Br4 N4 O12 -","- C132 H112 Br8 N8 O24 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0597","0.0376","","","0.0805","0.0879","","","","","","1.023","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157617","10.533","0.0004","26.861","0.0011","12.2233","0.0005","90","","115.334","0.001","90","","3125.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br2 Cl3 N2 O5 -","- C33 H24 Br2 Cl3 N2 O5 -","- C132 H96 Br8 Cl12 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","1.54178","CuKα","","0.0531","0.0518","","","0.1341","0.143","","","","","","1.12","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157618","10.9174","0.0014","11.9111","0.0014","12.3891","0.0014","69.112","0.011","87.877","0.01","65.53","0.012","1358.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.193","0.1112","","","0.2688","0.3225","","","","","","1.014","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157619","10.8001","0.0006","11.3693","0.0006","13.4193","0.0005","89.11","0.004","67.91","0.004","68.542","0.005","1406.67","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","x-ray","0.71073","MoKα","","0.1426","0.0846","","","0.2025","0.2297","","","","","","1.063","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157620","9.29096","0.00014","14.5006","0.0002","20.3184","0.0003","90","","90","","90","","2737.39","0.07","291.6","0.2","291.6","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C80 H108 N28 O48 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","1.54184","CuKα","","0.0574","0.054","","","0.143","0.1492","","","","","","1.038","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157621","19.7672","0.0008","19.7672","0.0008","23.6968","0.0012","90","","90","","120","","8018.8","0.6","293","2","293.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C40 H35 N7 O12 -","- C40 H35 N7 O12 -","- C240 H210 N42 O72 -","6","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1515","0.0819","","","0.2096","0.2662","","","","","","1.035","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157622","8.6304","0.0006","10.8741","0.0009","22.9325","0.0014","90","","90","","90","","2152.2","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl3 N6 O8 -","- C14 H16 Cl3 N6 O8 -","- C56 H64 Cl12 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0806","0.0594","","","0.142","0.1562","","","","","","1.03","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157623","8.6075","0.0007","10.7485","0.0009","33.736","0.003","90","","90","","90","","3121.2","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N10 O10 -","- C18 H24 N10 O10 -","- C72 H96 N40 O40 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0974","0.0717","","","0.1976","0.2188","","","","","","0.966","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157624","7.2784","0.0007","9.2019","0.001","26.166","0.003","90","","90","","90","","1752.5","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N6 O8 -","- C13 H16 N6 O8 -","- C52 H64 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0687","0.0461","","","0.0845","0.095","","","","","","1.018","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157625","9.2129","0.0004","40.7685","0.0017","12.8563","0.0005","90","","90.32","0.003","90","","4828.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C136 H176 N48 O88 -","8","4","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0741","0.0499","","","0.1143","0.1318","","","","","","1.015","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157626","12.9906","0.0004","11.1438","0.0004","14.8377","0.0007","90","","103.257","0.004","90","","2090.73","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 F3 N8 O13 -","- C37 H39 F3 N8 O13 -","- C74 H78 F6 N16 O26 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0802","0.0533","","","0.1204","0.1378","","","","","","1.031","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157627","7.7778","0.0005","13.2995","0.001","11.4128","0.0006","90","","91.458","0.005","90","","1180.17","0.13","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C34 H44 N12 O22 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0617","0.041","","","0.0881","0.0994","","","","","","1.047","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157628","9.6273","0.0012","8.8714","0.001","16.549","0.002","90","","101.469","0.011","90","","1385.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C40 H54 N14 O24 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1129","0.0495","","","0.0969","0.1215","","","","","","0.95","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157629","7.5291","0.0008","7.4902","0.0008","17.0281","0.0019","90","","90","","90","","960.29","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.0385","0.0376","","","0.1034","0.1042","","","","","","1.146","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157630","7.3607","0.0008","8.0406","0.0011","17.598","0.002","90","","90","","90","","1041.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.1305","0.083","","","0.2006","0.2428","","","","","","1.015","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157631","10.5627","0.0003","8.8564","0.0003","19.8868","0.0007","90","","98.7088","0.0009","90","","1838.91","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17.19 N3 O1.1 -","- C24 H17.196 N3 O1.098 -","- C96 H68.784 N12 O4.392 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0399","0.0365","","","0.0919","0.0964","","","","","","1.018","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157632","19.1254","0.0004","5.4936","0.0001","11.5714","0.0003","90","","98.8783","0.0009","90","","1201.21","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0473","0.0444","","","0.1113","0.1148","","","","","","1.063","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157633","26.7209","0.0006","15.6427","0.0003","11.8698","0.0003","90","","104.361","0.0004","90","","4806.38","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C194 H116 Br24 Cl4 N24 O8 -","8","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0655","0.0628","","","0.1673","0.1701","","","","","","1.05","","","","has coordinates,has disorder","256164","2020-10-21","18:00:00",""
"7157634","10.4157","0.0002","10.5063","0.0002","11.3815","0.0002","112.529","0.0008","108.753","0.0008","99.9684","0.0008","1024.96","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C54 H46 N6 O2 -","2","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0437","0.0382","","","0.0935","0.1013","","","","","","1.04","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157635","14.1319","0.0005","3.8682","0.0001","15.5153","0.0005","90","","110.946","0.001","90","","792.1","0.04","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","2","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.027","0.026","","","0.0687","0.0704","","","","","","1.049","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157636","15.2304","0.0014","9.1246","0.0008","22.238","0.002","90","","95.627","0.001","90","","3075.6","0.5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C136 H224 O32 -","8","2","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0596","0.0511","","","0.1352","0.1432","","","","","","1.054","","","","has coordinates","258944","2020-11-06","13:06:53",""
"7157637","10.559","0.002","8.9149","0.0017","19.341","0.004","90","","92.146","0.002","90","","1819.3","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0444","0.0362","","","0.0896","0.0955","","","","","","1.012","","","","has coordinates","258944","2020-11-06","13:06:54",""
"7157638","9.4421","0.0002","14.8451","0.0004","19.2118","0.0004","90","","90","","90","","2692.9","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 S4 -","- C28 H30 N2 O3 S4 -","- C112 H120 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0433","0.0401","","","0.0987","0.1003","","","","","","1.05","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157639","23.7837","0.0004","23.7837","0.0004","21.6038","0.0004","90","","90","","120","","10583.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N2 O3 S4 -","- C22 H18 N2 O3 S4 -","- C396 H324 N36 O54 S72 -","18","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0367","0.0342","","","0.098","0.0996","","","","","","1.074","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157640","12.482","0.0004","12.8583","0.0005","19.5132","0.0007","90","","90","","90","","3131.82","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 N2 O3 S4 -","- C34 H26 N2 O3 S4 -","- C136 H104 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.069","0.0555","","","0.0856","0.0887","","","","","","1.113","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157641","7.1264","0.001","19.867","0.0019","19.419","0.003","90","","94.326","0.014","90","","2741.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N3 -","- C16 H12 Br N3 -","- C128 H96 Br8 N24 -","8","2","","Chatterjee, Arpita; Murmu, Chudamani; Peruncheralathan, S.","Copper-catalysed <i>N</i>-arylation of 5-aminopyrazoles: a simple route to pyrazolo[3,4-<i>b</i>]indoles.","Organic & biomolecular chemistry","2020","18","33","6571","6581","10.1039/d0ob00812e","","x-ray","0.71073","MoKα","","0.1888","0.0994","","","0.2041","0.2384","","","","","","1.127","","","","has coordinates","256168","2020-10-21","18:00:00",""
"7157642","59.6625","0.0008","17.3644","0.0002","11.0242","0.0001","90","","90","","90","","11421.1","0.2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","(5aR*,8aS*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C36.5 H28 Cl2 O4 -","- C36.5 H28 Cl2 O4 -","- C584 H448 Cl32 O64 -","16","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0316","0.031","","","0.0813","0.0817","","","","","","1.046","","","","has coordinates,has disorder","258960","2020-11-06","13:10:12",""
"7157643","15.2283","0.0002","9.8746","0.0001","18.4264","0.0002","90","","110.126","0.002","90","","2601.65","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5aS*,8aR*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C33 H24 Cl2 O4 -","- C33 H24 Cl2 O4 -","- C132 H96 Cl8 O16 -","4","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0365","0.0348","","","0.0912","0.0925","","","","","","1.031","","","","has coordinates","258960","2020-11-06","13:10:13",""
"7157644","17.6367","0.0015","13.5661","0.0012","14.5573","0.0013","90","","90","","90","","3483","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C168 H128 N16 O32 -","8","1","","Sharma, Suraj; Dutta, Nibedita Baruah; Bhuyan, Mayurakhi; Das, Babulal; Baishya, Gakul","<i>tert</i>-Butylhydroperoxide (TBHP) mediated oxidative cross-dehydrogenative coupling of quinoxalin-2(1<i>H</i>)-ones with 4-hydroxycoumarins, 4-hydroxy-6-methyl-2-pyrone and 2-hydroxy-1,4-naphthoquinone under metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6537","6548","10.1039/d0ob01304h","","","0.71073","MoKα","","0.0716","0.0559","","","0.1459","0.1644","","","","","","1.18","","","","has coordinates","256169","2020-10-21","18:00:00",""
"7157645","9.621","0.002","8.003","0.002","33.196","0.009","90","","90","","90","","2556","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N4 O8 -","- C24 H32 N4 O8 -","- C96 H128 N16 O32 -","4","1","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.093","0.0603","","","0.1467","0.1688","","","","","","1.08","","","","has coordinates","256170","2020-10-21","18:00:00",""
"7157646","8.0617","0.0006","26.398","0.003","11.8969","0.0014","90","","91.684","0.002","90","","2530.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O5 -","- C26 H27 Br N2 O5 -","- C104 H108 Br4 N8 O20 -","4","1","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.1027","0.044","","","0.0795","0.0995","","","","","","1.009","","","","has coordinates","256170","2020-10-21","18:00:00",""
"7157647","10.495","0.002","21.897","0.004","7.842","0.0016","90","","96.57","0.03","90","","1790.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Ma, Liyao; Ou, Pengcheng; Huang, Xueliang","Divergent synthesis of 1,3,5-tri and 1,3-disubstituted pyrazoles under transition metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6487","6491","10.1039/d0ob01478h","","","0.71073","MoKα","","0.1035","0.0709","","","0.1888","0.2131","","","","","","1.198","","","","has coordinates","256167","2020-10-21","18:00:00",""
"7157648","13.5094","0.0016","11.092","0.0009","21.2668","0.0018","90","","90","","90","","3186.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Yang, Fazhou; Liu, Ziyan; Liu, Hao; Shangguan, Yu; Deng, Hao; Huang, Jiaxing; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Cu-Catalysed synthesis of benzo[f]indole-2,4,9(3H)-triones by the reaction of 2-amino-1,4-napthoquinones with α-bromocarboxylates.","Organic & biomolecular chemistry","2020","18","34","6724","6731","10.1039/d0ob00291g","","x-ray","0.71073","MoKα","","0.0607","0.0446","","","0.1005","0.1093","","","","","","1.075","","","","has coordinates","256183","2020-10-21","18:00:00",""
"7157649","15.0501","0.0004","23.9887","0.0008","6.1915","0.0002","90","","90","","90","","2235.33","0.12","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0771","0.0508","","","0.1212","0.1375","","","","","","1.029","","","","has coordinates","258952","2020-11-06","13:08:23",""
"7157650","15.0587","0.0011","11.9394","0.0009","11.6556","0.0008","90","","90.844","0.004","90","","2095.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F2 N3 O4 S2 -","- C19 H23 F2 N3 O4 S2 -","- C76 H92 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0475","0.0368","","","0.0936","0.1008","","","","","","1.026","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157651","10.5857","0.0003","14.0014","0.0004","17.5197","0.0005","90","","90","","90","","2596.68","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl5 D N3 O4 S2 -","- C20 H23 Cl5 D N3 O4 S2 -","- C80 H92 Cl20 D4 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0286","0.0267","","","0.0648","0.0658","","","","","","1.056","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157652","15.0515","0.0005","23.4696","0.0008","6.1833","0.0002","90","","90","","90","","2184.27","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.06","0.0395","","","0.0953","0.1106","","","","","","1.087","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157653","15.1555","0.0007","24.3132","0.0012","6.1544","0.0003","90","","90","","90","","2267.77","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Br2 N3 O4 S2 -","- C19 H23 Br2 N3 O4 S2 -","- C76 H92 Br8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0816","0.0417","","","0.0793","0.0931","","","","","","1.011","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157654","10.4481","0.0002","14.3121","0.0003","16.4591","0.0003","90","","90","","90","","2461.2","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C80 H92 Cl12 D4 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0417","0.0347","","","0.0796","0.083","","","","","","1.028","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157655","15.4374","0.0004","24.9622","0.0006","6.1336","0.0002","90","","90","","90","","2363.59","0.11","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0474","0.0383","","","0.0815","0.0854","","","","","","1.11","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157656","15.4193","0.0004","24.5788","0.0007","6.1039","0.0002","90","","90","","90","","2313.3","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0303","0.0253","","","0.0523","0.0543","","","","","","1.198","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157657","31.5358","0.001","31.5358","0.001","5.2684","0.0002","90","","90","","90","","5239.5","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0977","0.0514","","","0.136","0.1715","","","","","","0.939","","","","has coordinates","256177","2020-10-21","18:00:00",""
"7157658","21.741","0.004","13.765","0.002","21.012","0.003","90","","90","","90","","6288.2","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C68 H62 N4 O13 -","- C68 H60 N4 O13 -","- C272 H240 N16 O52 -","4","0.25","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0711","0.0635","","","0.1733","0.182","","","","","","1.103","","","","has coordinates,has disorder","256177","2020-10-21","18:00:00",""
"7157659","13.8872","0.0004","9.9072","0.0003","19.4383","0.0006","90","","90.026","0.002","90","","2674.38","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C128 H104 N8 O16 -","4","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.1077","0.0534","","","0.1333","0.1655","","","","","","1.016","","","","has coordinates","256177","2020-10-21","18:00:00",""
"7157660","7.0483","0.00016","9.642","0.0002","17.816","0.0004","90","","93.573","0.002","90","","1208.42","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","0.71073","MoKα","","0.0427","0.0377","","","0.0931","0.0966","","","","","","1.066","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157661","11.1412","0.0002","8.63104","0.00012","12.612","0.0002","90","","98.0678","0.0017","90","","1200.77","0.03","100","0.14","100","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0326","0.03","","","0.0752","0.0771","","","","","","1.041","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157662","23.1618","0.0008","6.1459","0.0002","20.0176","0.0006","90","","95.672","0.003","90","","2835.56","0.16","99.8","0.3","99.8","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N O6 -","- C14 H17 N O6 -","- C112 H136 N8 O48 -","8","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0492","0.0414","","","0.1088","0.1174","","","","","","1.037","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157663","13.962","0.0003","8.28868","0.00013","17.5984","0.0003","90","","112.379","0.002","90","","1883.22","0.07","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0524","0.0479","","","0.126","0.1307","","","","","","1.056","","","","has coordinates,has disorder","256178","2020-10-21","18:00:00",""
"7157664","6.7441","0.0002","9.9379","0.0003","12.0364","0.0005","69.995","0.003","75.972","0.003","81.277","0.002","733.33","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-heptyl-[1,2,4]triazolo[4,3-a]quinoline","","- C17 H21 N3 -","- C17 H21 N3 -","- C34 H42 N6 -","2","1","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0454","0.0402","","","0.1132","0.1192","","","","","","1.063","","","","has coordinates","256181","2020-10-21","18:00:00",""
"7157665","9.1934","0.0005","10.6902","0.0005","18.2767","0.0008","90","","100.449","0.005","90","","1766.43","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-methyl-[1,2,4]triazolo[4,3-a]quinoline","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","2","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0462","0.0401","","","0.1074","0.1147","","","","","","1.031","","","","has coordinates","256181","2020-10-21","18:00:00",""
"7157666","35.445","0.007","36.434","0.007","45.806","0.009","90","","90","","90","","59154","2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C134 H130 Cl6 F6 N18 O19 -","- C134 H130 Cl6 F6 N18 O19 -","- C2144 H2080 Cl96 F96 N288 O304 -","16","2","","Yang, Ling; Ma, Chunmiao; Kauffmann, Brice; Li, Dongyao; Gan, Quan","Absolute handedness control of oligoamide double helices by chiral oxazolylaniline induction.","Organic & biomolecular chemistry","2020","18","34","6643","6650","10.1039/d0ob01503b","","","0.72","MoKa","","0.1293","0.1057","","","0.2866","0.3176","","","","","","1.291","","","","has coordinates","256176","2020-10-21","18:00:00",""
"7157667","5.0392","0.0002","8.4897","0.0003","38.3953","0.0013","90","","90","","90","","1642.6","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H30 O S2 -","- C15 H30 O S2 -","- C60 H120 O4 S8 -","4","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0313","0.0278","","","0.0689","0.0712","","","","","","1.1","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157668","19.7501","0.0018","19.7501","0.0018","7.4965","0.0006","90","","90","","90","","2924.1","0.4","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H9 O S2 -","- C5 H10 O S2 -","- C80 H160 O16 S32 -","16","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0609","0.0403","","","0.0934","0.1126","","","","","","1.134","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157669","5.866","0.0005","8.1481","0.0008","18.3926","0.0018","90","","90","","90","","879.11","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 -","- C20 H18 N6 -","- C40 H36 N12 -","2","0.5","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1026","0.0588","","","0.1246","0.1628","","","","","","0.973","","","","has coordinates","256166","2020-10-21","18:00:00",""
"7157670","13.786","0.005","13.94","0.005","12.043","0.005","90","","95.844","0.005","90","","2302.4","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C108 H112 N16 -","4","1","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1539","0.0611","","","0.14","0.1788","","","","","","1.009","","","","has coordinates","256166","2020-10-21","18:00:00",""
"7157671","10.0331","0.0001","11.8988","0.0001","13.4124","0.0002","108","0.001","99.413","0.001","106.679","0.001","1401.73","0.03","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N5 O12 -","- C26 H25 N5 O12 -","- C52 H50 N10 O24 -","2","1","","Luo, Yan-Long; Liu, Yu-Feng; Guan, Bing-Tao","Alkyl lithium-catalyzed benzylic C-H bond addition of alkyl pyridines to α-alkenes.","Organic & biomolecular chemistry","2020","18","34","6622","6626","10.1039/d0ob01499k","","x-ray","1.54184","CuKα","","0.0605","0.0572","","","0.178","0.1816","","","","","","1.093","","","","has coordinates","256182","2020-10-21","18:00:00",""
"7157672","9.5464","0.0003","11.3522","0.0003","16.3209","0.0005","79.8713","0.0009","82.8439","0.001","76.7777","0.001","1688.44","0.09","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Br Cl3 N2 O3 S -","- C35 H32 Br Cl3 N2 O3 S -","- C70 H64 Br2 Cl6 N4 O6 S2 -","2","1","","Rapelli, Chandrashekhar; Sridhar, Balasubramanian; Subba Reddy, B. V.","Tandem Prins cyclization for the synthesis of indole fused spiro-1,4-diazocane scaffolds.","Organic & biomolecular chemistry","2020","18","34","6710","6715","10.1039/d0ob01384f","","","0.71073","MoKα","","0.1317","0.0939","","","0.2284","0.2488","","","","","","1.086","","","","has coordinates","256179","2020-10-21","18:00:00",""
"7157673","11.05","0.0004","14.7669","0.0006","11.3282","0.0004","90","","109.477","0.002","90","","1742.69","0.12","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","","Song, Xiaoxiao; Xu, Lei; Ni, Qijian","Highly diastereoselective synthesis of 3-methylenetetrahydropyrans by palladium-catalyzed oxa-[4 + 2] cycloaddition of 2-alkenylbenzothiazoles.","Organic & biomolecular chemistry","2020","18","34","6617","6621","10.1039/d0ob01434f","","","0.71073","MoKα","","0.0526","0.0428","","","0.105","0.1165","","","","","","1.018","","","","has coordinates","256180","2020-10-21","18:00:00",""
"7157674","10.805","0.002","28.766","0.004","9.1158","0.0016","90","","98.138","0.006","90","","2804.8","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Br N O4 -","- C31 H34 Br N O4 -","- C124 H136 Br4 N4 O16 -","4","1","","Wang, Ziyang; Huang, Anqi; Fang, Fang; Li, Pengfei; Liu, Guokai; Li, Wenjun","Non-hydrogen bond catalyst-mediated diastereoselective conjugate additions of 5H-oxazol-4-ones to o-hydroxyphenyl-substituted p-quinone methides.","Organic & biomolecular chemistry","2020","18","35","6807","6811","10.1039/d0ob01558j","","x-ray","0.71073","MoKα","","0.0399","0.0333","","","0.0734","0.0758","","","","","","1.047","","","","has coordinates","258976","2020-11-06","13:14:13",""
"7157675","7.2273","0.0003","12.6042","0.0005","29.1348","0.0012","90","","90","","90","","2654.02","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O4 -","- C34 H25 N O4 -","- C136 H100 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.0514","0.0372","","","0.0837","0.0931","","","","","","1.012","","","","has coordinates","258977","2020-11-06","13:14:22",""
"7157676","11.571","0.003","17.156","0.005","13.431","0.004","90","","91.359","0.009","90","","2665.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br N O4 -","- C34 H24 Br N O4 -","- C136 H96 Br4 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.181","0.1027","","","0.2623","0.3215","","","","","","1.032","","","","has coordinates","258977","2020-11-06","13:14:22",""
"7157677","9.7202","0.0014","11.6843","0.0016","24.726","0.004","90","","93.705","0.003","90","","2802.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Br N8 O5 S -","- C27 H27 Br N8 O5 S -","- C108 H108 Br4 N32 O20 S4 -","4","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0679","0.0482","","","0.1235","0.1344","","","","","","1.026","","","","has coordinates","258973","2020-11-06","13:13:32",""
"7157678","13.4741","0.0004","13.4934","0.0004","15.7758","0.0005","84.2195","0.0007","85.3686","0.0007","76.9008","0.0007","2774.41","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H31 F N7 O4 S -","- C27.5 H31 F N7 O4 S -","- C110 H124 F4 N28 O16 S4 -","4","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0581","0.0423","","","0.1031","0.1124","","","","","","1.018","","","","has coordinates","258973","2020-11-06","13:13:32",""
"7157679","9.7574","0.0004","16.3229","0.0007","33.1283","0.0014","90","","90","","90","","5276.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N7 O3 S -","- C25 H25 N7 O3 S -","- C200 H200 N56 O24 S8 -","8","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0723","0.0693","","","0.1978","0.2006","","","","","","1.054","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157680","17.9516","0.0012","16.7643","0.0011","19.6754","0.0013","90","","112.959","0.001","90","","5452.2","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 F N7 O5 S -","- C26 H28 F N7 O4 S -","- C208 H224 F8 N56 O32 S8 -","8","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0709","0.0504","","","0.1227","0.1372","","","","","","1.026","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157681","9.6969","0.0006","11.4348","0.0006","24.2698","0.0015","85.022","0.002","85.218","0.002","82.945","0.002","2653.4","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C126 H126 N6 O18 -","6","3","","Schendera, Eva; Villinger, Alexander; Brasholz, Malte","Photoinduced iodine-mediated tandem dehydrogenative Povarov cyclisation/C-H oxygenation reactions.","Organic & biomolecular chemistry","2020","18","35","6912","6915","10.1039/d0ob01494j","","","0.71073","MoKα","","0.0938","0.0533","","","0.1193","0.142","","","","","","1.022","","","","has coordinates,has disorder","258975","2020-11-06","13:13:52",""
"7157682","4.7625","0.0002","13.0451","0.0008","13.8262","0.001","90","","95.126","0.005","90","","855.55","0.09","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Nathanael, Joses G.; White, Jonathan M.; Richter, Annika; Nuske, Madison R.; Wille, Uta","Oxidative damage of proline residues by nitrate radicals (NO<sub>3</sub>˙): a kinetic and product study.","Organic & biomolecular chemistry","2020","18","35","6949","6957","10.1039/d0ob01337d","","x-ray","1.54184","CuKα","","0.0555","0.0447","","","0.1079","0.1183","","","","","","1.07","","","","has coordinates","258974","2020-11-06","13:13:41",""
"7157683","8.6636","0.0009","8.9777","0.0011","13.8142","0.0016","83.784","0.004","78.625","0.003","68.828","0.003","981.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl F3 N -","- C23 H17 Cl F3 N -","- C46 H34 Cl2 F6 N2 -","2","1","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.0645","0.0484","","","0.1324","0.1473","","","","","","1.023","","","","has coordinates","258970","2020-11-06","13:12:44",""
"7157684","8.754","0.0003","13.9202","0.0005","20.4884","0.0007","70.805","0.001","84.483","0.001","81.586","0.001","2329.4","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 F3 N -","- C27 H26 F3 N -","- C108 H104 F12 N4 -","4","2","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.1853","0.1232","","","0.3304","0.3905","","","","","","1.284","","","","has coordinates,has disorder","258970","2020-11-06","13:12:44",""
"7157685","18.4957","0.0013","7.8032","0.0005","25.76","0.002","90","","92.571","0.007","90","","3714.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-benzyl-3-(p-tolyl)-[1,2,3]triazolo[1,5-a]quinoline","","- C24 H19 N3 -","- C24 H19 N3 -","- C192 H152 N24 -","8","2","","Yang, Jianhua; Xiong, Shaoqi; Ren, Yongsheng; Xiao, Tiebo; Jiang, Yubo","Copper-catalyzed cross-coupling and sequential allene-mediated cyclization for the synthesis of 1,2,3-triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2020","18","36","7174","7182","10.1039/d0ob00435a","","x-ray","0.71073","MoKα","","0.1387","0.0668","","","0.1368","0.1772","","","","","","1.006","","","","has coordinates","258971","2020-11-06","13:12:52",""
"7157686","18.7943","0.0014","11.2236","0.0008","9.8308","0.0008","90","","95.655","0.002","90","","2063.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F3 N O2 -","- C22 H24 F3 N O2 -","- C88 H96 F12 N4 O8 -","4","1","","Ma, Rui-Jun; Sun, Jian-Ting; Liu, Chang-Hong; Chen, Ling; Si, Chang-Mei; Wei, Bang-Guo","Synthesis of 1-benzylisoindoline and 1-benzyl-tetrahydroisoquinoline through nucleophilic addition of organozinc reagents to <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2020","18","36","7139","7150","10.1039/d0ob01477j","","","0.71073","MoKα","","0.067","0.0469","","","0.1159","0.1317","","","","","","1.031","","","","has coordinates,has disorder","258967","2020-11-06","13:11:59",""
"7157687","14.3884","0.0013","26.944","0.003","6.9828","0.0006","90","","90","","90","","2707.1","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.1318","0.062","","","0.1681","0.2411","","","","","","0.767","","","","has coordinates","258947","2020-11-06","13:07:18",""
"7157688","7.313","0.001","9.4042","0.0012","9.8866","0.0013","97.32","0.007","95.213","0.007","94.533","0.007","668.77","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.0639","0.0451","","","0.1199","0.1413","","","","","","0.78","","","","has coordinates","258947","2020-11-06","13:07:18",""
"7157689","14.6384","0.0003","6.909","0.0001","30.7229","0.0007","90","","90","","90","","3107.21","0.11","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","1.54178","CuKα","","0.0433","0.0375","","","0.0963","0.0997","","","","","","1.119","","","","has coordinates","258972","2020-11-06","13:13:09",""
"7157690","10.3439","0.0004","6.8286","0.0002","20.1913","0.0007","90","","97.86","0.001","90","","1412.8","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F N2 -","- C20 H12 F N2 -","- C80 H48 F4 N8 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0481","0.0413","","","0.109","0.114","","","","","","1.056","","","","has coordinates,has disorder","258972","2020-11-06","13:13:10",""
"7157691","6.0455","0.0005","11.0023","0.001","11.7294","0.001","112.103","0.004","96.044","0.004","93.256","0.004","714.87","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 F N2 -","- C20 H13 F N2 -","- C40 H26 F2 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0783","0.0472","","","0.1189","0.1408","","","","","","1.052","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157692","7.8602","0.0002","8.983","0.0002","11.3189","0.0003","94.775","0.001","108.443","0.001","100.754","0.001","736.11","0.03","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C40 H24 F4 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0391","0.0346","","","0.0839","0.0874","","","","","","1.057","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157693","5.9542","0.0002","10.6468","0.0004","13.6281","0.0005","83.162","0.002","86.529","0.002","76.857","0.001","834.81","0.05","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0552","0.0494","","","0.1179","0.1237","","","","","","1.064","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157694","14.2321","0.0007","13.7476","0.0006","19.4973","0.0009","90","","90","","90","","3814.8","0.3","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0608","0.0389","","","0.0879","0.1031","","","","","","1.076","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157695","13.9563","0.0002","10.5922","0.0002","15.5819","0.0002","90","","90","","90","","2303.44","0.06","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium iodide","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","0.71073","MoKα","","0.0537","0.0308","","","0.0707","0.0848","","","","","","1.068","","","","has coordinates","258948","2020-11-06","13:07:29",""
"7157696","14.4577","0.0001","10.5526","0.0001","15.7197","0.0001","90","","90","","90","","2398.3","0.03","173.01","0.1","173.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium tetrafluoroborate","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C80 H96 B8 F32 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0477","0.0434","","","0.1276","0.1343","","","","","","1.083","","","","has coordinates,has disorder","258948","2020-11-06","13:07:30",""
"7157697","20.4846","0.0008","9.4451","0.0003","15.8942","0.0007","90","","99.242","0.004","90","","3035.3","0.2","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-dimethyl-4-phenyl-1,2,3-triazolium triiodide","","- C10 H12 I3 N3 -","- C10 H12 I3 N3 -","- C80 H96 I24 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0713","0.0652","","","0.191","0.1977","","","","","","1.102","","","","has coordinates","258948","2020-11-06","13:07:30",""
"7157698","12.1573","0.0013","12.3663","0.0013","15.5243","0.0014","90","","107.422","0.003","90","","2226.9","0.4","192","2","192","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl -","- C31 H23 Cl -","- C124 H92 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0414","0.035","","","0.0828","0.0874","","","","","","1.014","","","","has coordinates","258949","2020-11-06","13:07:39",""
"7157699","20.7442","0.0006","12.396","0.0003","7.5295","0.0002","90","","90","","90","","1936.17","0.09","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H21 Cl -","- C26 H21 Cl -","- C104 H84 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0384","0.0318","","","0.0795","0.0852","","","","","","1.038","","","","has coordinates","258949","2020-11-06","13:07:40",""
"7157700","8.692","0.001","10.4626","0.0012","12.9164","0.0015","106.067","0.002","98.907","0.002","110.261","0.002","1017.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C1.9 H1.9 Cl0.1 F0.3 N0.1 O0.2 S0.1 -","- C1.9 H1.9 Cl0.1 F0.3 N0.1 O0.2 S0.1 -","- C38 H38 Cl2 F6 N2 O4 S2 -","20","10","","Wang, Xiaonan; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Enantioselective addition of thiols to trifluoromethyl ketimines: synthesis of <i>N</i>,<i>S</i>-ketals.","Organic & biomolecular chemistry","2020","18","37","7431","7436","10.1039/d0ob01725f","","","0.71073","MoKα","","0.0744","0.0556","","","0.1462","0.1635","","","","","","1.028","","","","has coordinates","258945","2020-11-06","13:07:02",""
"7157701","34.292","0.005","8.1908","0.0013","16.147","0.003","90","","111.061","0.005","90","","4232.4","1.2","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","(3R,3'S,4'R,4a'S,9a'R)-1-(tert-Butyl) 3'-ethyl 3''-benzyl-2,4'',9'-trioxo-2''-thioxo-4a',9a'- dihydro-1'H,3'H,9'H-dispiro[indoline-3,2'-xanthene-4',5''-thiazolidine]-1,3'-dicarboxylate","","- C37 H34 N2 O8 S2 -","- C37 H34 N2 O8 S2 -","- C148 H136 N8 O32 S8 -","4","1","","Song, Yong-Xing; Lin, Ye; Yan, Li; Du, Da-Ming","An organocatalytic domino Michael addition strategy: construction of bispiro[oxindole-thiazolidinone-hexahydroxanthone]s with five contiguous stereocenters.","Organic & biomolecular chemistry","2020","18","37","7373","7378","10.1039/d0ob01613f","","","0.71073","MoKα","","0.0404","0.0331","","","0.0846","0.0881","","","","","","1.058","","","","has coordinates,has disorder","258946","2020-11-06","13:07:10",""
"7157702","14.4086","0.0001","13.7833","0.0001","14.4694","0.0001","90","","110.157","0.001","90","","2697.59","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","PF1022A","","- C53 H80 N4 O13 -","- C53 H80 N4 O13 -","- C106 H160 N8 O26 -","2","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0695","0.0699","","","","","","1.073","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157703","14.9008","0.0001","15.8307","0.0001","16.8469","0.0001","111.244","0.001","101.429","0.001","100.095","0.001","3495.22","0.06","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","bis(PF1022A)-tris(Potassium thiocianate)","","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","1","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1423","0.1453","","","","","","1.035","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157704","8.3648","0.0003","24.4988","0.0011","8.6463","0.0004","90","","106.405","0.002","90","","1699.73","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Qiao, Shanshan; Qian, Peng-Cheng; Chen, Fan; Cheng, Jiang","Iron-catalyzed radical cascade 6-<i>endo</i> cyclization of dienes towards fused nitrogen heterocycles initiated by an alkoxycarbonyl radical.","Organic & biomolecular chemistry","2020","18","36","7086","7089","10.1039/d0ob01438a","","","0.71073","MoKα","","0.0564","0.0431","","","0.1099","0.1218","","","","","","1.032","","","","has coordinates","258968","2020-11-06","13:12:06",""
"7157705","7.6399","0.0013","11.119","0.002","15.958","0.003","70.281","0.006","78.966","0.005","74.305","0.005","1221","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O8 S -","- C27 H20 N2 O8 S -","- C54 H40 N4 O16 S2 -","2","1","","Sathi, Vidya; Thomas, Noble V.; Deepthi, Ani","Stereoselective synthesis of dispiro heterocycles by [3 + 2] cycloaddition of azomethine ylides with a thiazolo[3,2-<i>a</i>]indole derivative.","Organic & biomolecular chemistry","2020","18","39","7822","7826","10.1039/d0ob01559h","","","0.71073","MoKα","","0.0653","0.0416","","","0.0945","0.1107","","","","","","1.009","","","","has coordinates","258956","2020-11-06","13:09:10",""
"7157706","13.215","0.003","11.927","0.002","15.344","0.003","90","","101.15","0.03","90","","2372.8","0.9","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F N2 O2 S Se -","- C28 H21 F N2 O2 S Se -","- C112 H84 F4 N8 O8 S4 Se4 -","4","1","","Yao, Hai-Feng; Wang, Dian-Liang; Li, Fang-Hui; Wu, Bing; Cai, Zhong-Jian; Ji, Shun-Jun","Synthesis of organoselenyl isoquinolinium imides <i>via</i> iron(III) chloride-mediated tandem cyclization/selenation of <i>N</i>'-(2-alkynylbenzylidene)hydrazides and diselenides.","Organic & biomolecular chemistry","2020","18","38","7577","7584","10.1039/d0ob01517b","","","0.71073","MoKα","","0.0416","0.0382","","","0.0932","0.0955","","","","","","1.015","","","","has coordinates,has disorder","258980","2020-11-06","13:14:52",""
"7157707","22.757","0.01","4.748","0.002","23.677","0.01","90","","104.854","0.016","90","","2472.8","1.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Cl N2 O -","- C16 H9 Cl N2 O -","- C128 H72 Cl8 N16 O8 -","8","2","","Chen, Junrong; Li, Zhenmin; Suleman, Muhammad; Wang, Zaibin; Lu, Ping; Wang, Yanguang","TfOH-promoted synthesis of 4,5-dihydrooxazolo[5,4-<i>c</i>]isoquinolines <i>via</i> formal [3 + 2] cycloaddition of 4-diazoisoquinolin-3-one and benzonitriles.","Organic & biomolecular chemistry","2020","18","38","7671","7676","10.1039/d0ob01748e","","","0.71073","MoKα","","0.0573","0.0439","","","0.1024","0.1108","","","","","","1.035","","","","has coordinates","258979","2020-11-06","13:14:40",""
"7157708","7.7469","0.0008","17.4348","0.0019","14.3624","0.0016","90","","92.609","0.002","90","","1937.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Zhang, Xuxue; Liu, Chuan; Deng, Yupian; Cao, Song","Chemo- and regioselective synthesis of polysubstituted 2-aminothiophenes by the cyclization of <i>gem</i>-dibromo or <i>gem</i>-dichloroalkenes with β-keto tertiary thioamides.","Organic & biomolecular chemistry","2020","18","38","7540","7544","10.1039/d0ob01821j","","","0.71073","MoKα","","0.0731","0.054","","","0.1297","0.1401","","","","","","1.044","","","","has coordinates","258978","2020-11-06","13:14:33",""
"7157709","5.6871","0.0003","8.6686","0.0004","18.3693","0.0007","81.037","0.004","88.297","0.004","87.959","0.004","893.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 F3 N O3 S -","- C18 H18 F3 N O3 S -","- C36 H36 F6 N2 O6 S2 -","2","1","","Bonciolini, Stefano; Di Filippo, Mara; Baumann, Marcus","A scalable continuous photochemical process for the generation of aminopropylsulfones.","Organic & biomolecular chemistry","2020","18","46","9428","9432","10.1039/d0ob01801e","","","1.54184","CuKα","","0.0551","0.0489","","","0.125","0.1314","","","","","","1.044","","","","has coordinates,has disorder","260811","2021-01-07","07:05:46",""
"7157710","9.4888","0.0005","7.2783","0.0003","12.988","0.0007","90","","97.094","0.005","90","","890.12","0.08","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 1 21 1","P 2yb","4","","Aleuritin","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.0646","0.0504","","","0.1141","0.1229","","","","","","1.044","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157711","7.0307","0.001","8.666","0.001","25.171","0.005","90","","90","","90","","1533.6","0.4","150","2","150","2","","","","","","","Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","rel-(5β,8α,10α)-8-hydroxy-13-methylpodocarpa-9(11),13-diene-3,12-dione","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.1349","0.0728","","","0.1698","0.2208","","","","","","1.079","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157712","7.526","0.0004","13.1519","0.0007","17.4059","0.0016","90","","90","","90","","1722.9","0.2","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","aleuritone","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.076","0.0584","","","0.1406","0.1535","","","","","","0.958","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157713","7.6762","0.0001","12.3159","0.0002","17.1409","0.0003","90","","90","","90","","1620.49","0.04","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","isoindoloquinazolinone","ethyl 12-hydroxy-4-methyl-10-oxo-10,12-dihydroisoindolo[1,2-b]quinazoline-12-carboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Choi, Jin Ho; Kim, Kunyoung; Oh, Harin; Han, Sangil; Mishra, Neeraj Kumar; Kim, In Su","Ru(ii)-Catalyzed C-H addition and oxidative cyclization of 2-aryl quinazolinones with activated aldehydes.","Organic & biomolecular chemistry","2020","18","47","9611","9622","10.1039/d0ob01663b","","","0.71073","MoKα","","0.0694","0.0549","","","0.1498","0.1613","","","","","","1.004","","","","has coordinates","260818","2021-01-07","07:07:26",""
"7157714","12.3228","0.0014","13.5824","0.0012","19.942","0.002","90","","104.136","0.003","90","","3236.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 N2 O3 S -","- C37 H38 N2 O3 S -","- C148 H152 N8 O12 S4 -","4","1","","Kumaran, Subramani; Prabhakaran, Mohan; Mariyammal, Narayanan; Parthasarathy, Kanniyappan","Catalyst-free 1,6-conjugate addition of indoles and 4-hydroxycoumarins to <i>para</i>-quinone methides: synthesis of unsymmetrical triarylmethanes.","Organic & biomolecular chemistry","2020","18","39","7837","7841","10.1039/d0ob01789b","","","0.71073","MoKα","","0.1282","0.0516","","","0.0994","0.1294","","","","","","1.016","","","","has coordinates","258959","2020-11-06","13:09:35",""
"7157715","18.4913","0.0006","4.7672","0.0001","19.316","0.0007","90","","94.258","0.002","90","","1698.04","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br2 N5 O2 -","- C16 H15 Br2 N5 O2 -","- C64 H60 Br8 N20 O8 -","4","1","","Galve, Iñaki; Ondoño, Raül; de Rocafiguera, Claudi; Puig de la Bellacasa, Raimon; Batllori, Xavier; Puigjaner, Cristina; Font-Bardia, Mercè; Vallcorba, Oriol; Teixidó, Jordi; Borrell, José I","A captured room temperature stable Wheland intermediate as a key structure for the orthogonal decoration of 4-amino-pyrido[2,3-<i>d</i>]pyrimidin-7(8<i>H</i>)-ones.","Organic & biomolecular chemistry","2020","18","48","9810","9815","10.1039/d0ob01785j","","","0.71073","MoKα","","0.0679","0.0561","","","0.155","0.1626","","","","","","1.074","","","","has coordinates","260823","2021-01-07","07:07:58",""
"7157716","11.2245","0.0005","13.0227","0.0005","13.7251","0.0005","92.741","0.003","106.371","0.003","107.992","0.003","1810.67","0.14","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 B2 F9 N3 O2 -","- C32 H26 B2 F9 N3 O2 -","- C64 H52 B4 F18 N6 O4 -","2","1","","Moneva Lorente, Pau; Wallabregue, Antoine; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Lacour, Jérôme","Synthesis and properties of chiral fluorescent helicene-BODIPY conjugates.","Organic & biomolecular chemistry","2020","18","38","7677","7684","10.1039/d0ob01809k","","x-ray","1.54184","CuKα","","0.0602","0.0516","","","0.1506","0.1593","","","","","","1.045","","","","has coordinates,has disorder","258981","2020-11-06","13:14:58",""
"7157717","3.9404","0.0001","16.0925","0.0003","9.1575","0.0002","90","","90.254","0.001","90","","580.68","0.02","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","","","0.0298","0.0292","","","0.081","0.0817","","","","","","1.07","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157718","18.7602","0.0014","9.1601","0.0006","16.7999","0.0012","90","","90","","90","","2887","0.4","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","CuKα","","0.0507","0.0454","","","0.1219","0.1266","","","","","","1.01","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157719","15.014","0.002","10.0228","0.0011","21.573","0.005","90","","90","","90","","3246.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N O -","- C10.2857 H10.2857 N1.14286 O1.71429 -","- C144 H144 N16 O24 -","14","1.75","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","x-ray","0.71073","MoKα","","0.2084","0.0871","","","0.2286","0.3103","","","","","","1.018","","","","has coordinates","258965","2020-11-06","13:11:13",""
"7157720","11.2384","0.0006","10.343","0.0005","13.5036","0.0008","90","","107.74","0.006","90","","1495","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","","0.71073","MoKα","","0.0851","0.0593","","","0.1497","0.1658","","","","","","1.055","","","","has coordinates","258965","2020-11-06","13:11:13",""
"7157721","10.114","0.0005","10.3178","0.0005","10.5034","0.0005","90","","102.09","0.002","90","","1071.76","0.09","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Gangadurai, Chinnakuzhanthai; Illa, Giri Teja; Reddy, D. Srinivasa","FeCl<sub>3</sub>-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities.","Organic & biomolecular chemistry","2020","18","41","8459","8466","10.1039/d0ob01790f","","","0.71073","MoKα","","0.0327","0.0309","","","0.0753","0.0765","","","","","","1.013","","","","has coordinates","258951","2020-11-06","13:07:57",""
"7157722","5.8087","0.0003","11.2608","0.0007","47.001","0.002","93.058","0.005","90.358","0.004","92.48","0.005","3067","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 I N O2 -","- C37 H33.755 I N O2 -","- C148 H135.02 I4 N4 O8 -","4","2","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","1.54184","CuKα","","0.1386","0.0949","","","0.2192","0.2505","","","","","","1.086","","","","has coordinates,has disorder","258964","2020-11-06","13:11:00",""
"7157723","8.2053","0.0005","9.9516","0.0006","14.8729","0.0013","79.118","0.006","88.843","0.006","68.605","0.006","1108.86","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H40 N2 O -","- C23 H40 N2 O -","- C46 H80 N4 O2 -","2","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0654","0.0497","","","0.107","0.1161","","","","","","1.049","","","","has coordinates","258964","2020-11-06","13:11:00",""
"7157724","5.8348","0.0003","14.7954","0.0009","21.5626","0.0013","90","","92.427","0.005","90","","1859.79","0.19","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 F2 N -","- C27 H15 F2 N -","- C108 H60 F8 N4 -","4","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.0847","0.0907","","","","","","1.05","","","","has coordinates","258964","2020-11-06","13:11:01",""
"7157725","8.6569","0.0013","11.7473","0.0017","16.347","0.002","98.164","0.011","91.884","0.011","90.183","0.012","1644.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 F N O3 -","- C17 H22 F N O3 -","- C68 H88 F4 N4 O12 -","4","2","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.1611","0.103","","","0.2644","0.3163","","","","","","1.052","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157726","9.0751","0.0005","6.1933","0.0003","15.1581","0.0007","90","","98.79","0.004","90","","841.95","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C34 H46 F4 N2 O6 -","2","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0435","0.0392","","","0.0916","0.095","","","","","","1.099","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157727","6.0625","0.0004","22.0365","0.0015","12.8581","0.001","90","","90.522","0.007","90","","1717.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C68 H92 F8 N4 O12 -","4","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0681","0.0499","","","0.1214","0.1321","","","","","","1.064","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157728","9.5144","0.0005","13.3582","0.0007","16.0144","0.001","90","","102.194","0.002","90","","1989.43","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Tang, Shi-Biao; Fu, Xiao-Pan; Wu, Gao-Rong; Zhang, Li-Li; Deng, Ke-Zuan; Yang, Jin-Yue; Xia, Cheng-Cai; Ji, Ya-Fei","Rhodium(III)-catalyzed C4-amidation of indole-oximes with dioxazolones <i>via</i> C-H activation.","Organic & biomolecular chemistry","2020","18","39","7922","7931","10.1039/d0ob01655a","","","0.71073","MoKα","","0.0751","0.0487","","","0.1096","0.1292","","","","","","1.046","","","","has coordinates","258957","2020-11-06","13:09:17",""
"7157729","9.6741","0.001","10.8198","0.0012","12.5635","0.0011","69.234","0.009","89.878","0.008","72.178","0.01","1162.2","0.2","295.44","0.1","295.44","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12.8 H8.8 N0.4 O0.4 -","- C12.8 H8.8 N0.4 O0.4 -","- C64 H44 N2 O2 -","5","2.5","","Xu, Fen; Zhu, Wen-Jing; Wang, Juan; Ma, Qi; Shen, Li-Jing","Rhodium-catalyzed synthesis of substituted isoquinolones <i>via</i> a selective decarbonylation/alkyne insertion cascade of phthalimides.","Organic & biomolecular chemistry","2020","18","40","8219","8223","10.1039/d0ob01793k","","x-ray","1.54184","CuKα","","0.1907","0.1657","","","0.4066","0.4291","","","","","","2.237","","","","has coordinates","258961","2020-11-06","13:10:19",""
"7157730","8.1628","0.0006","13.0501","0.0008","13.9274","0.001","90","","103.346","0.008","90","","1443.55","0.18","111.95","0.1","111.95","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0933","0.0948","","","","","","1.023","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157731","7.2801","0.0002","9.9611","0.0003","18.9298","0.0005","90","","90","","90","","1372.75","0.07","111.65","0.1","111.65","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0892","0.09","","","","","","1.075","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157732","16.8403","0.0003","10.54278","0.00019","7.78736","0.00014","90","","90","","90","","1382.6","0.04","110.2","0.14","110.2","0.14","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0349","0.0337","","","0.0882","0.0895","","","","","","1.031","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157733","7.1617","0.0001","9.7401","0.0002","18.6984","0.0003","90","","90","","90","","1304.32","0.04","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0362","0.0334","","","0.0853","0.0868","","","","","","1.085","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157734","9.6261","0.00009","6.61723","0.00011","14.2237","0.0002","90","","98.0027","0.0011","90","","897.2","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-tert-butyl 4-((R)-2-(4-chlorophenyl)-5-oxo-2,5-dihydrofuran-2-yl)-2-oxopyrrolidine-1-carboxylate","","- C19 H20 Cl N O5 -","- C19 H20 Cl N O5 -","- C38 H40 Cl2 N2 O10 -","2","1","","Romaniszyn, Marta; Sieroń, Lesław; Albrecht, Łukasz","Asymmetric vinylogous Michael addition of 5-substituted-furan-2(3<i>H</i>)-ones to an α,β-unsaturated-γ-lactam.","Organic & biomolecular chemistry","2020","18","42","8633","8637","10.1039/d0ob01750g","","x-ray","1.54184","CuKα","","0.0225","0.0225","","","0.0589","0.0589","","","","","","1.055","","","","has coordinates","258955","2020-11-06","13:09:02",""
"7157735","17.1752","0.0002","8.82114","0.00017","24.8611","0.0005","90","","90","","90","","3766.58","0.11","150","0.2","150","0.2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C40 H52 O11 -","- C40 H52 O11 -","- C160 H208 O44 -","4","0.5","","Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C.","Functionalized fluorescent terephthalate monomers and their attempted polyester formation.","Organic & biomolecular chemistry","2020","18","42","8735","8745","10.1039/d0ob01533d","","","1.54184","CuKα","","0.0486","0.0357","","","0.0846","0.0925","","","","","","1.041","","","","has coordinates","258954","2020-11-06","13:08:55",""
"7157736","12.9152","0.0018","15.907","0.002","18.038","0.003","90","","90","","90","","3705.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H N O -","- C2.7027 H2.05405 N0.108108 O0.324324 -","- C200 H152 N8 O24 -","74","9.25","","Liu, Siyuan; Wang, Hang; Wang, Baomin","Catalyst-free construction of spiro [benzoquinolizidine-chromanones] <i>via</i> a tandem condensation/1,5-hydride transfer/cyclization process.","Organic & biomolecular chemistry","2020","18","43","8839","8843","10.1039/d0ob01887b","","","0.71073","MoKα","","0.0746","0.0444","","","0.1062","0.1244","","","","","","0.996","","","","has coordinates","259622","2020-12-06","14:47:31",""
"7157737","8.3127","0.0002","17.1849","0.0003","20.9916","0.0004","90","","90","","90","","2998.71","0.11","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Jaspal, Sonam; Shinde, Vikki N.; Meena, Neha; Nipate, Dhananjay S.; Rangan, Krishnan; Kumar, Anil","Metal-free benzoylation of imidazoheterocycles by oxidative decarboxylation of arylglyoxylic acids.","Organic & biomolecular chemistry","2020","18","44","9072","9080","10.1039/d0ob01842b","","x-ray","1.54184","CuKα","","0.0464","0.0442","","","0.1217","0.1239","","","","","","1.096","","","","has coordinates","259620","2020-12-06","14:47:06",""
"7157738","11.158","0.002","11.434","0.002","15.708","0.003","90","","96.925","0.004","90","","1989.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N5 O2 -","- C23 H17 N5 O2 -","- C92 H68 N20 O8 -","4","1","","Ge, Junying; Ding, Qiuping; Yang, Man; He, Tian; Peng, Yiyuan","Copper and manganese co-mediated cascade aza-Michael addition/cyclization and azidation of 1,3-enynes: regioselective synthesis of fully substituted azido pyrroles.","Organic & biomolecular chemistry","2020","18","43","8908","8915","10.1039/d0ob01927e","","","0.71073","MoKα","","0.1534","0.1017","","","0.2944","0.3298","","","","","","1.16","","","","has coordinates","259621","2020-12-06","14:47:25",""
"7157739","29.8793","0.0017","7.7831","0.0004","12.7135","0.0007","90","","93.634","0.005","90","","2950.6","0.3","90","2","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C144 H112 Cl8 N8 O24 -","8","1","","Yugandar, Somaraju; Morita, Taiki; Nakamura, Hiroyuki","Rhodium(III)-catalysed decarboxylative C-H functionalization of isoxazoles with alkenes and sulfoxonium ylides.","Organic & biomolecular chemistry","2020","18","42","8625","8628","10.1039/d0ob02027c","","","1.54184","CuKα","","0.0462","0.0435","","","0.1231","0.1253","","","","","","1.106","","","","has coordinates","258953","2020-11-06","13:08:47",""
"7157740","5.6056","0.0006","17.422","0.002","22.161","0.002","90","","90","","90","","2164.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N3 -","- C26 H24 F N3 -","- C104 H96 F4 N12 -","4","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.1026","0.0684","","","0.1064","0.1217","","","","","","1.034","","","","has coordinates","259436","2020-12-02","05:21:41",""
"7157741","9.2995","0.0005","9.7287","0.0005","37.4385","0.0019","90","","90","","90","","3387.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 F N3 -","- C21 H16 F N3 -","- C168 H128 F8 N24 -","8","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0771","0.044","","","0.0892","0.1079","","","","","","1.076","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157742","5.4142","0.0007","20.89","0.003","8.3858","0.0011","90","","92.126","0.004","90","","947.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F N3 O -","- C24 H20 F N3 O -","- C48 H40 F2 N6 O2 -","2","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0936","0.0692","","","0.1444","0.157","","","","","","1.055","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157743","10.7714","0.0001","11.3185","0.0001","13.3343","0.0001","66.429","0.001","80.647","0.001","75.079","0.001","1436.53","0.02","100","0.13","100","0.13","","","","","","","","4","P 1","P 1","1","","","","- C37 H29 N O4 -","- C37 H29 N O4 -","- C74 H58 N2 O8 -","2","2","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0655","0.0658","","","","","","1.059","","","","has coordinates","260816","2021-01-07","07:07:09",""
"7157744","12.9632","0.0001","12.9632","0.0001","16.2424","0.0002","90","","90","","120","","2363.77","0.04","294","","294","","","","","","","","","4","P 31","P 31","144","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C108 H78 N6 O6 -","3","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0347","0.0329","","","0.0963","0.0987","","","","","","1.1","","","","has coordinates,has disorder","260816","2021-01-07","07:07:10",""
"7157745","9.3208","0.0003","15.9714","0.0005","19.0521","0.0006","90","","90","","90","","2836.21","0.16","133.15","","133.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","0.71073","MoKα","","0.0537","0.0426","","","0.093","0.0993","","","","","","1.042","","","","has coordinates,has disorder","260816","2021-01-07","07:07:10",""
"7157746","3.8839","0.0006","8.7474","0.0009","22.667","0.0014","81.742","0.008","88.786","0.009","85.859","0.01","760.07","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C28 H28 Br4 N8 O4 -","4","2","","Li, Yibiao; Huang, Shuo; Li, Jiaming; Li, Jian; Ji, Xiaoliang; Liu, Jiasheng; Chen, Lu; Peng, Shiyong; Zhang, Kun","Access to 2-pyridinylamide and imidazopyridine from 2-fluoropyridine and amidine hydrochloride","Organic & Biomolecular Chemistry","2020","18","45","9292","9299","10.1039/D0OB01904F","","x-ray","1.54184","CuKα","","0.0688","0.0627","","","0.1877","0.1915","","","","","","1.071","","","","has coordinates","259438","2020-12-02","05:23:45",""
"7157747","17.8252","0.0006","7.4804","0.0002","10.9523","0.0004","90","","105.159","0.004","90","","1409.56","0.08","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","KUTYY-26bicycloPr","","- C12 H19 N5 O4 -","- C12 H19 N5 O4 -","- C48 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0408","0.0343","","","0.0841","0.0871","","","","","","1.053","","","","has coordinates","259439","2020-12-02","05:24:17",""
"7157748","14.4032","0.0016","9.8582","0.0002","19.916","0.002","90","","140.02","0.02","90","","1817","0.8","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KUTYY-29bicycloBn","","- C20 H19 N5 O4 -","- C20 H19 N5 O4 -","- C80 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0399","0.0351","","","0.086","0.0892","","","","","","1.057","","","","has coordinates","259439","2020-12-02","05:24:18",""
"7157749","13.738","0.013","15.885","0.013","7.706","0.006","90","","111.13","0.04","90","","1569","2","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Ahn, Hye-In; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun","Pd-Catalyzed asymmetric [5 + 2] cycloaddition of vinylethylene carbonates and cyclic imines: access to N-fused 1,3-oxazepines.","Organic & biomolecular chemistry","2020","18","48","9826","9830","10.1039/d0ob02159h","","","0.71073","MoKα","","0.0361","0.0317","","","0.0732","0.0761","","","","","","1.044","","","","has coordinates","260821","2021-01-07","07:07:44",""
"7157750","4.4944","0.0006","5.4263","0.0007","12.2978","0.0016","97.735","0.011","94.192","0.011","92.2","0.011","296.04","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","1","1","","Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi","Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.","Organic & biomolecular chemistry","2020","18","47","9689","9699","10.1039/d0ob02164d","","","0.71073","MoKα","","0.0636","0.0426","","","0.0975","0.1135","","","","","","1.045","","","","has coordinates","260815","2021-01-07","07:06:34",""
"7157751","9.9981","0.0003","15.1043","0.0003","18.6398","0.0004","90","","92.173","0.002","90","","2812.85","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl3 N2 O4 S -","- C28 H25 Cl3 N2 O4 S -","- C112 H100 Cl12 N8 O16 S4 -","4","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.082","0.0581","","","0.1445","0.1642","","","","","","1.01","","","","has coordinates,has disorder","260812","2021-01-07","07:06:06",""
"7157752","26.0749","0.0009","9.8982","0.0003","23.541","0.0008","90","","105.383","0.004","90","","5858.1","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Cl3 N2 O4 S -","- C29 H27 Cl3 N2 O4 S -","- C232 H216 Cl24 N16 O32 S8 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0986","0.0667","","","0.17","0.1971","","","","","","1.018","","","","has coordinates","260812","2021-01-07","07:06:06",""
"7157753","22.788","0.004","9.824","0.001","19.984","0.004","90","","123.49","0.03","90","","3731.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C168 H152 Cl8 N16 O24 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0784","0.056","","","0.1419","0.1691","","","","","","1.07","","","","has coordinates","260812","2021-01-07","07:06:06",""
"7157759","11.042","0.0005","8.8933","0.0005","16.9598","0.0012","90","","95.377","0.005","90","","1658.12","0.17","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","Intramolecular [3 + 2] nitrone cycloaddition reaction: highly regio and diastereoselective synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2020","18","47","9653","9659","10.1039/d0ob01960g","","","0.71073","MoKα","","0.0899","0.0582","","","0.1493","0.1771","","","","","","1.0578","","","","has coordinates","260814","2021-01-07","07:06:29",""
"7157760","8.8725","0.0004","11.6847","0.0005","16.8773","0.0008","90","","102.266","0.002","90","","1709.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Shen, Bing-Xue; Min, Xiang-Ting; Hu, Yan-Cheng; Qian, Lei-Lei; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An","Copper-catalyzed boroacylation of allenes to access tetrasubstituted vinylboronates","Organic & Biomolecular Chemistry","2020","18","45","9253","9260","10.1039/D0OB02008G","","","0.71073","MoKα","","0.0679","0.0607","","","0.1587","0.1658","","","","","","1.266","","","","has coordinates","259446","2020-12-02","05:28:01",""
"7157761","11.8524","0.0008","12.1284","0.0008","14.3084","0.001","90","","107.05","0.007","90","","1966.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Huang, Jian; Fu, Yang; Deng, Zhihong; Chen, Wei; Song, Zhibin; Peng, Yiyuan","Rhodium-catalyzed oxidative annulation of 1H-indazoles with alkynes for the synthesis of indazolo[3,2-a]isoquinolines via C-H bond functionalization.","Organic & biomolecular chemistry","2020","18","48","9863","9872","10.1039/d0ob02060e","","","0.71073","MoKα","","0.0677","0.0488","","","0.1076","0.1168","","","","","","1.049","","","","has coordinates","260820","2021-01-07","07:07:39",""
"7157762","11.6835","0.0005","10.2297","0.0004","18.6723","0.0004","90","","101.857","0.002","90","","2184.07","0.14","109.4","0.2","109.4","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br O5 -","- C26 H21 Br O5 -","- C104 H84 Br4 O20 -","4","1","","Wang, Ru-Bing; Ren, Xiao-Dong; He, Jie; Zhu, Shan-Shan; Xie, Hui-Ru; Su, Guo-Zhu; Ma, Shuang-Gang; Yu, Shi-Shan","Burchellin and its stereoisomers: total synthesis, structural elucidation and antiviral activity","Organic & Biomolecular Chemistry","2020","18","44","9081","9087","10.1039/D0OB01889A","","x-ray","1.54184","CuKα","","0.045","0.0396","","","0.1037","0.1079","","","","","","1.055","","","","has coordinates","259448","2020-12-02","05:29:03",""
"7157764","10.5825","0.0001","10.9351","0.0002","20.533","0.0003","90","","94.269","0.001","90","","2369.5","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N0.25 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0477","0.0429","","","0.1235","0.1325","","","","","","0.783","","","","has coordinates","260825","2021-01-07","07:08:23",""
"7157765","26.6744","0.0001","26.6744","0.0001","18.1796","0.0001","90","","90","","90","","12935.2","0.1","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C152 H108 Cl12 N8 O8 S -","- C152 H100 Cl12 N8 O8 S -","- C608 H400 Cl48 N32 O32 S4 -","4","0.25","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0779","0.077","","","0.1983","0.1989","","","","","","1.061","","","","has coordinates,has disorder","260825","2021-01-07","07:08:23",""
"7157766","14.0142","0.0004","21.038","0.0005","9.3503","0.0003","90","","90.176","0.002","90","","2756.74","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 Cl3 N2 O4 -","- C33 H21 Cl3 N2 O4 -","- C132 H84 Cl12 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0703","0.0542","","","0.1183","0.1261","","","","","","1.06","","","","has coordinates","260825","2021-01-07","07:08:23",""
"7157767","8.1923","0.0011","10.0872","0.0014","13.952","0.002","75.123","0.004","88.61","0.004","78.866","0.004","1092.9","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br2 Cl N O3 -","- C22 H18 Br2 Cl N O3 -","- C44 H36 Br4 Cl2 N2 O6 -","2","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1293","0.0565","","","0.1377","0.173","","","","","","1.028","","","","has coordinates","259451","2020-12-02","05:31:45",""
"7157768","15.6584","0.0017","7.2134","0.0007","19.131","0.002","90","","102.956","0.003","90","","2105.8","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br Cl N O3 -","- C22 H19 Br Cl N O3 -","- C88 H76 Br4 Cl4 N4 O12 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.0864","0.0406","","","0.1014","0.1269","","","","","","1.053","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157769","10.129","0.006","15.539","0.009","15.252","0.009","90","","105.482","0.017","90","","2313","2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1042","0.0683","","","0.1954","0.2262","","","","","","1.09","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157770","24.318","0.003","9.2383","0.0011","20.24","0.003","90","","96.433","0.004","90","","4518.4","1","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Br Cl N O3 -","- C23 H21 Br Cl N O3 -","- C184 H168 Br8 Cl8 N8 O24 -","8","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1794","0.0593","","","0.1245","0.1624","","","","","","1","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157771","9.3441","","13.5093","","16.7025","","98.858","","102.47","","91.92","","2029.23","","93","","93","","","","","","","","","7","P -1","-P 1","2","","Zn-3c","","- C39 H53 Br N4 O4 Si3 Zn -","- C39 H53 Br N4 O4 Si3 Zn -","- C78 H106 Br2 N8 O8 Si6 Zn2 -","2","1","","Hayashi, Satoshi; Takamatsu, Rina; Takeda, Shiori; Noji, Masahiro; Takanami, Toshikatsu","Central zinc metal-controlled regioselective meso-bromination of zincatedβ-silylporphyrins-rapid access to meso,β-dual-functionalized porphyrins.","Organic & biomolecular chemistry","2020","18","48","9791","9795","10.1039/d0ob02262d","","","1.54187","CuKα","","0.2093","0.1381","","","0.2792","0.3577","","","","","","1.046","","","","has coordinates","260826","2021-01-07","07:08:29",""
"7157772","41.0905","0.0009","12.1637","0.00011","21.1598","0.0005","90","","134.872","0.004","90","","7495","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O8 -","- C43 H39 N3 O8 -","- C344 H312 N24 O64 -","8","1","","Li, Chen-Yi; Xiang, Min; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","A base-catalyzed domino reaction between isoindigos and α-alkylidene succinimides-convenient preparation of highly steric bispirooxindoles.","Organic & biomolecular chemistry","2020","18","46","9511","9515","10.1039/d0ob01858a","","x-ray","1.54184","CuKα","","0.0521","0.0458","","","0.1241","0.1307","","","","","","1.041","","","","has coordinates","260810","2021-01-07","07:05:41",""
"7157773","5.9286","0.0005","8.2863","0.0007","8.6201","0.0008","109.21","0.003","90.208","0.003","103.829","0.002","386.74","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C17 H19 N O3 S -","1","1","","Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua","Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes.","Organic & biomolecular chemistry","2020","18","48","9873","9882","10.1039/d0ob01987a","","","0.71073","MoKα","","0.08","0.0527","","","0.0947","0.1105","","","","","","1.086","","","","has coordinates,has disorder","260822","2021-01-07","07:07:53",""
"7157780","16.216","0.0005","8.5645","0.0002","16.5649","0.0005","90","","117.934","0.001","90","","2032.52","0.1","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H7 N3 S -","- C12 H7 N3 S -","- C96 H56 N24 S8 -","8","4","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping; Zhao, Jixing; Wei, Yu","NCS-promoted thiocyanation and selenocyanation of pyrrolo[1,2-a]quinoxalines","Organic & Biomolecular Chemistry","2020","18","44","9088","9094","10.1039/D0OB01818J","","","0.71073","MoKα","","0.0683","0.0451","","","0.0869","0.0997","","","","","","1.046","","","","has coordinates","259456","2020-12-02","05:34:38",""
"7157781","8.3229","0.0002","10.5201","0.0002","13.8336","0.0003","88.816","0.002","73.989","0.002","76.976","0.002","1133.19","0.05","99.9","0.9","99.9","0.9","","","","","","","","3","P -1","-P 1","2","","Trieffnol C","","- C26 H28 O8 -","- C26 H28 O8 -","- C52 H56 O16 -","2","1","","Liu, Hongxin; Chen, Shanchong; Zhang, Xiao; Dong, Chunmao; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin","Structural elucidation, total synthesis, and cytotoxic activity of effphenol A","Organic & Biomolecular Chemistry","2020","18","44","9035","9038","10.1039/D0OB01985B","","x-ray","1.54184","CuKα","","0.0467","0.0404","","","0.1338","0.1391","","","","","","1.141","","","","has coordinates","259457","2020-12-02","05:34:57",""
"7157782","10.102","0.0017","10.4727","0.0016","15.726","0.003","104.702","0.005","94.205","0.005","109.963","0.005","1489","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 Br N O6 -","- C33 H32 Br N O6 -","- C66 H64 Br2 N2 O12 -","2","1","","Jaiswal, Manish K.; Singh, Bhuvnesh; De, Shreemoyee; Singh, Neetu; Singh, Ravi P.","Stereoselective formal [3 + 3] annulation of 3-alkylidene-2-oxindoles with β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2020","18","48","9852","9862","10.1039/d0ob02046j","","","0.71073","MoKα","","0.1338","0.0632","","","0.1723","0.2137","","","","","","0.935","","","","has coordinates","260819","2021-01-07","07:07:34",""
"7157784","4.2074","0.0004","12.9179","0.0009","27.18","0.002","90","","94.001","0.007","90","","1473.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O4 -","- C19 H13 N O4 -","- C76 H52 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","1.54184","CuKα","","0.0845","0.0771","","","0.2231","0.2291","","","","","","1.133","","","","has coordinates","259460","2020-12-02","05:36:08",""
"7157785","12.5309","0.0007","7.1686","0.0004","17.8685","0.001","90","","94.845","0.005","90","","1599.37","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C76 H48 Br4 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","0.71073","MoKα","","0.0439","0.0328","","","0.0683","0.0725","","","","","","1.032","","","","has coordinates","259460","2020-12-02","05:36:09",""
"7157786","10.4475","0.0005","12.2806","0.0005","12.3903","0.0007","100.338","0.002","99.001","0.003","104.084","0.002","1483.14","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H32 -","- C40 H32 -","- C80 H64 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1036","0.049","","","0.1054","0.1347","","","","","","1.008","","","","has coordinates","259461","2020-12-02","05:37:32",""
"7157787","14.8169","0.0009","23.135","0.0015","13.2408","0.0007","90","","94.823","0.003","90","","4522.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br4 -","- C12 H12 Br4 -","- C144 H144 Br48 -","12","3","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.213","0.0739","","","0.1762","0.2393","","","","","","1.022","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157788","15.6392","0.0006","18.8539","0.0009","12.4008","0.0007","90","","127.729","0.001","90","","2892","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 O13 P4 -","- C20 H38 O13 P4 -","- C80 H152 O52 P16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0613","0.0411","","","0.0992","0.1168","","","","","","1.07","","","","has coordinates,has disorder","259461","2020-12-02","05:37:33",""
"7157789","6.9814","0.0006","11.397","0.001","11.8876","0.0011","62.708","0.004","82.487","0.005","73.52","0.005","806.04","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1001","0.0642","","","0.1813","0.2275","","","","","","0.956","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157790","11.6744","0.0007","9.2737","0.0006","11.2747","0.0005","90","","114.21","0.002","90","","1113.3","0.11","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0607","0.0435","","","0.0998","0.1112","","","","","","1.046","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157791","6.859","0.0005","17.0662","0.0011","19.6709","0.001","90","","90","","90","","2302.6","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C112 H120 N8 -","4","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0893","0.0459","","","0.0917","0.1133","","","","","","0.979","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157792","23.8429","0.0011","14.4588","0.0007","12.002","0.0005","90","","116.455","0.001","90","","3704.3","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N12 -","- C44 H36 N12 -","- C176 H144 N48 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.081","0.0494","","","0.117","0.1456","","","","","","1.081","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157793","11.0913","0.0001","11.0913","0.0001","92.9928","0.0005","90","","90","","120","","9907.06","0.14","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C70 H92 O26 -","- C70 H92 O26 -","- C420 H552 O156 -","6","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0952","0.0948","","","0.2282","0.2284","","","","","","1.163","","","","has coordinates","259462","2020-12-02","05:38:34",""
"7157794","8.0223","0.0001","13.6842","0.0001","21.6959","0.0001","90","","90","","90","","2381.75","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0335","0.033","","","0.0938","0.0941","","","","","","1.11","","","","has coordinates","259462","2020-12-02","05:38:34",""
"7157795","11.1364","0.0014","19.9122","0.0018","8.5927","0.0011","90","","107.324","0.013","90","","1819","0.4","293.5","0.4","293.5","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.1698","0.0793","","","0.1673","0.2083","","","","","","1.075","","","","has coordinates","260824","2021-01-07","07:08:07",""
"7157796","10.3803","0.0006","7.9121","0.0004","19.5926","0.0011","90","","104.061","0.005","90","","1560.93","0.15","293.6","0.13","293.6","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.0506","0.0415","","","0.11","0.1179","","","","","","1.074","","","","has coordinates","260824","2021-01-07","07:08:11",""
"7157797","13.5978","0.0002","14.619","0.0002","13.9308","0.0002","90","","117.095","0.002","90","","2465.33","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl F3 N O7 -","- C27 H21 Cl F3 N O7 -","- C108 H84 Cl4 F12 N4 O28 -","4","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0584","0.0542","","","0.1559","0.1594","","","","","","1.101","","","","has coordinates","260817","2021-01-07","07:07:17",""
"7157798","8.8532","0.0001","13.7373","0.0002","11.5286","0.0002","90","","107.761","0.002","90","","1335.27","0.04","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O6 -","- C28 H26 F3 N3 O6 -","- C56 H52 F6 N6 O12 -","2","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0885","0.0893","","","","","","1.095","","","","has coordinates","260817","2021-01-07","07:07:20",""
"7157799","8.0525","0.0005","15.8806","0.001","15.2504","0.001","90","","94.189","0.002","90","","1945","0.2","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S2 -","- C22 H21 N O2 S2 -","- C88 H84 N4 O8 S8 -","4","1","","Wu, Jia-Yu; Liao, Wei-Jr; Lin, Xiu-Yi; Liang, Chien-Fu","A facile access to <i>N</i>-sulfonylthioimidates and their use for the transformation to 3,4-dihydroquinazolines.","Organic & biomolecular chemistry","2020","18","43","8881","8885","10.1039/d0ob01963a","","","0.71076","MoKα","","0.0382","0.0333","","","0.0869","0.1018","","","","","","1.126","","","","has coordinates","259563","2020-12-05","14:39:24",""
"7157800","8.0991","0.0003","10.0866","0.0003","10.5705","0.0003","75.779","0.001","69.449","0.001","67.461","0.001","740.63","0.04","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","","Zheng, Jing; He, Xiaojie; Xu, Hong; Liu, Hua; Yang, Weiran","A formal [3 + 2] annulation reaction of propargyl sulfonium compounds and <i>N</i>-ylides: access to pyrrolo[2,1-<i>a</i>]quinolines, pyrrolo[2,1-<i>a</i>]phthalazines and indolizines.","Organic & biomolecular chemistry","2020","18","43","8867","8875","10.1039/d0ob01739f","","","1.34139","GaKα","","0.0418","0.0372","","","0.099","0.1025","","","","","","1.035","","","","has coordinates","259564","2020-12-05","14:39:43",""
"7157801","11.3742","0.0004","18.028","0.0007","7.5166","0.0003","90","","106.736","0.002","90","","1476.02","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.5 H2 Cl0.33 O0.67 -","- C2.5 H2 Cl0.333333 O0.666667 -","- C60 H48 Cl8 O16 -","24","6","","Xie, Zhen-Zhen; Deng, Zhi-Xiong; Zheng, Yu; Chen, Yan-Shan; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-mediated domino sequence of salicylaldehyde with but-3-yn-2-one: rapid access to chromanone.","Organic & biomolecular chemistry","2020","18","43","8916","8920","10.1039/d0ob01588a","","","0.71073","MoKα","","0.0527","0.0451","","","0.1268","0.1359","","","","","","1.052","","","","has coordinates","259565","2020-12-05","14:40:06",""
"7157802","8.1722","0.0004","10.5252","0.0005","13.3654","0.0006","80.905","0.001","79.401","0.001","76.274","0.001","1089.82","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O3 S -","- C24 H19 Br N2 O3 S -","- C48 H38 Br2 N4 O6 S2 -","2","1","","Feng, Jiajun; He, Tiantong; Xie, Yuxing; Yu, Yang; Baell, Jonathan B.; Huang, Fei","I<sub>2</sub>-Promoted [4 + 2] cycloaddition of <i>in situ</i> generated azoalkenes with enaminones: facile and efficient synthesis of 1,4-dihydropyridazines and pyridazines.","Organic & biomolecular chemistry","2020","18","46","9483","9493","10.1039/d0ob01958e","","","0.71073","MoKα","","0.0352","0.03","","","0.0784","0.0819","","","","","","1.018","","","","has coordinates","260813","2021-01-07","07:06:22",""
"7234791","24.9223","0.0004","9.0196","0.0002","8.8869","0.0001","90","","93.248","0.002","90","","1994.47","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","1.54184","CuKα","","0.0182","0.0166","","","0.0428","0.0437","","","","","","1.095","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234792","25.174","0.005","9.1572","0.0018","8.9838","0.0017","90","","93.25","0.007","90","","2067.6","0.7","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0488","0.0306","","","0.0598","0.0655","","","","","","1.02","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234793","7.9617","0.0001","9.9312","0.0001","23.5837","0.0003","90","","90","","90","","1864.75","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0234","0.0188","","","0.0489","0.052","","","","","","1.059","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234794","9.24933","0.00017","25.7601","0.0006","8.66218","0.00018","90","","90","","90","","2063.88","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0467","0.0453","","","0.1087","0.1093","","","","","","1.121","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234795","9.1624","0.0005","23.482","0.0012","8.993","0.0004","90","","90","","90","","1934.86","0.17","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0344","0.0275","","","0.0688","0.073","","","","","","1.037","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234796","8.134","0.002","9.964","0.003","23.849","0.006","90","","90","","90","","1932.9","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0549","0.0417","","","0.1026","0.1122","","","","","","1.037","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234797","9.27849","0.00019","23.5754","0.0005","8.6023","0.0002","90","","90","","90","","1881.7","0.07","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0316","0.0294","","","0.079","0.0809","","","","","","1.057","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234798","9.2133","0.0002","25.7139","0.0006","8.9323","0.0002","90","","90","","90","","2116.15","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.065","0.0446","","","0.1124","0.1229","","","","","","1.098","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234842","20.536","0.006","12.539","0.002","7.7893","0.0014","90","","91.11","0.02","90","","2005.4","0.8","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 N10 O10 -","- C44 H36 Ag2 N10 O10 -","- C88 H72 Ag4 N20 O20 -","2","0.25","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.048","0.0459","","","0.1205","0.1235","","","","","","1.053","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234843","37.8693","0.0014","7.4572","0.0004","17.8043","0.0008","90","","90","","90","","5027.9","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H42 Ag2 F6 N8 O9 -","- C50.004 H40 Ag2 F6.006 N8 O9.004 -","- C200.016 H160 Ag8 F24.024 N32 O36.016 -","4","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0682","0.0447","","","0.1117","0.1286","","","","","","1.035","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234844","22.6683","0.0006","11.9842","0.0002","17.9923","0.0005","90","","111.403","0.003","90","","4550.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag F3 N4 O4 -","- C24 H18 Ag F3 N4 O4 -","- C192 H144 Ag8 F24 N32 O32 -","8","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0253","0.0238","","","0.0624","0.0638","","","","","","1.032","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234845","7.2584","0.0002","14.4126","0.0003","21.3749","0.0005","90","","91.472","0.002","90","","2235.34","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag N5 O5 -","- C24 H22 Ag N5 O5 -","- C96 H88 Ag4 N20 O20 -","4","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0385","0.0312","","","0.0766","0.0806","","","","","","1.033","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234846","9.2321","0.0003","11.438","0.0004","11.853","0.0004","96.574","0.003","91.848","0.002","104.559","0.003","1201.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Ag2 Cl2 N8 O12 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","1","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0267","0.0244","","","0.0645","0.0665","","","","","","1.027","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234847","7.3244","0.0006","8.2198","0.0007","19.557","0.001","87.931","0.005","86.794","0.006","88.681","0.007","1174.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Ag N5 O6 -","- C23 H22 Ag N5 O6 -","- C46 H44 Ag2 N10 O12 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.0784","0.0629","","","0.1642","0.1824","","","","","","1.043","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234848","8.7388","0.0003","11.7437","0.0004","15.173","0.0004","89.58","0.003","74.494","0.003","80.378","0.003","1478.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Ag F3 N4 O8 -","- C26 H30 Ag F3 N4 O8 -","- C52 H60 Ag2 F6 N8 O16 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0604","0.0486","","","0.1386","0.1495","","","","","","1.052","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234849","17.657","0.0005","21.7188","0.0005","27.9006","0.0005","97.688","0.002","100.408","0.002","98.551","0.002","10263.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C320 H460 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1263","0.1047","","","0.241","0.2561","","","","","","1.401","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234850","13.8053","0.0003","13.8709","0.0003","16.1942","0.0004","65.439","0.002","83.047","0.002","87.191","0.002","2799.73","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H134 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0532","0.0434","","","0.1076","0.1112","","","","","","1.007","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234851","13.9722","0.0003","17.1363","0.0007","44.1982","0.0012","97.328","0.003","93.974","0.002","100.205","0.003","10284.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C160 H224 Ce2 Cl N12 Na O104 S16 -","- C160 H180 Ce2 Cl N12 Na O104 S16 -","- C320 H360 Ce4 Cl2 N24 Na2 O208 S32 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1649","0.1084","","","0.2528","0.2942","","","","","","1.246","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234852","15.0362","0.0002","17.4614","0.0003","21.0544","0.0003","100.755","0.001","95.9","0.001","98.544","0.001","5321.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H126 Er2 N4 O63.5 S8 -","- C74 H78 Er2 N4 O63.4991 S8 -","- C148 H156 Er4 N8 O126.998 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0865","0.0752","","","0.1866","0.1949","","","","","","1.003","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234853","15.1413","0.0003","21.5216","0.0004","25.0716","0.0004","105.589","0.001","96.342","0.001","109.239","0.002","7249.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H162 Ce1.33 N4 O63 P2 S8 -","- C120 H118 Ce1.3333 N4 O63 P2 S8 -","- C240 H236 Ce2.6666 N8 O126 P4 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1028","0.0855","","","0.2439","0.2616","","","","","","1.015","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234854","16.9848","0.0003","17.2326","0.0003","23.7694","0.0004","98.35","0.001","103.459","0.001","116.03","0.002","5831.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H286 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.066","0.053","","","0.1289","0.1371","","","","","","1.07","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234855","14.9999","0.0003","17.5274","0.0004","21.1206","0.0004","100.434","0.002","96.481","0.002","98.621","0.002","5343","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H258 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.1536","0.1066","","","0.2585","0.2932","","","","","","1.004","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234856","22.4311","0.0003","36.5505","0.0004","43.3752","0.0008","90","","104.433","0.002","90","","34439.6","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C576 H812 Cl Gd10 N24 Na O358 P6 S48 -","- C576 H588 Cl Gd10 N24 Na O358 P6 S48 -","- C1152 H1176 Cl2 Gd20 N48 Na2 O716 P12 S96 -","2","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1219","0.0975","","","0.2571","0.2824","","","","","","1.008","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234857","15.2241","0.0002","17.7001","0.0003","20.5479","0.0003","100.785","0.001","96.463","0.001","97.675","0.001","5336.4","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H126 Gd2 N4 O65 S8 -","- C72 H126 Gd2 N4 O65 S8 -","- C144 H252 Gd4 N8 O130 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.046","0.0354","","","0.0813","0.0861","","","","","","1","","","","has coordinates","257434","2020-10-21","18:00:00",""
"7234893","14.234","0.0013","19.8446","0.0019","15.452","0.0016","90","","106.326","0.003","90","","4188.7","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H52 Cu4 N32 -","- C100 H52 Cu4 N32 -","- C200 H104 Cu8 N64 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kawata, Satoshi","Supramolecular self-assembled coordination architecture composed of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear CuII complex and 7,7′,8,8′,-tetracyano-p-quinodimethanide radicals","CrystEngComm","2020","22","2","159","163","10.1039/C9CE01580A","","","0.71075","MoKα","","0.0688","0.0433","","","0.1126","0.1321","","","","","","1.043","","","","has coordinates","257462","2020-10-21","18:00:00",""
"7234964","5.8783","0.0005","10.3023","0.001","10.5662","0.001","71.108","0.011","78.415","0.011","74.975","0.011","579.92","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cd N3 S2 -","- C8 H7 Cd N3 S2 -","- C16 H14 Cd2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.043","0.0359","","","0.0869","0.0906","","","","","","1.003","","","","has coordinates,has disorder","257461","2020-10-21","18:00:00",""
"7234965","20.2576","0.0008","9.3191","0.0003","19.2831","0.0006","90","","116.135","0.002","90","","3268.1","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C112 H112 Fe8 N32 S16 -","8","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0098","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234966","10.2833","0.0006","12.3146","0.0006","7.686","0.0003","90","","103.823","0.004","90","","945.13","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe N4 O2 S2 -","- C14 H14 Fe N4 O2 S2 -","- C28 H28 Fe2 N8 O4 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0218","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234967","5.83966","0.00012","17.8924","0.0004","8.63648","0.00018","90","","108.751","0.0015","90","","854.49","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N4 S2 -","- C14 H14 Cd N4 S2 -","- C28 H28 Cd2 N8 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0172","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234968","5.6544","0.0004","10.3052","0.0008","10.4498","0.0007","70.083","0.005","78.969","0.007","75.518","0.004","550.52","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Fe N3 S2 -","- C8 H4 Fe N3 S2 -","- C16 H8 Fe2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0146","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234969","27.693","0.003","27.693","0.003","11.1885","0.001","90","","90","","120","","7430.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C234 H252 Fe9 N54 S18 -","9","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.1073","0.0676","","","0.1526","0.171","","","","","","1.04","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234970","11.2219","0.0019","17.954","0.002","9.0559","0.0014","90","","112.725","0.007","90","","1682.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C56 H56 Fe4 N16 S8 -","4","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0101","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7235010","9.3667","0.0007","9.5064","0.0007","15.1076","0.0011","84.047","0.002","75.365","0.002","79.476","0.002","1277.35","0.16","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu N4 O4 Pb S2 -","- C23 H28 Cu N4 O4 Pb S2 -","- C46 H56 Cu2 N8 O8 Pb2 S4 -","2","1","","Mirdya, Saikat; Banerjee, Snehasis; Chattopadhyay, Shouvik","An insight into the non-covalent Pb⋯S and S⋯S interactions in the solid-state structure of a hemidirected lead(ii) complex","CrystEngComm","2020","22","2","237","247","10.1039/C9CE01548E","","","0.71073","MoKα","","0.0287","0.0258","","","0.0638","0.0652","","","","","","1.076","","","","has coordinates","257463","2020-10-21","18:00:00",""
"7235108","16.537","0.004","10.001","0.004","12.295","0.003","90","","99.96","0.03","90","","2002.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N16 O16 -","- C8 H10 N16 O16 -","- C32 H40 N64 O64 -","4","1","","Zhang, Menghua; Tan, Yingxin; Zhao, Xu; Zhang, Jianhu; Huang, Shiliang; Zhai, Zhaohui; Liu, Yu; Yang, Zhijian","Seeking a novel energetic co-crystal strategy through the interfacial self-assembly of CL-20 and HMX nanocrystals","CrystEngComm","2020","22","1","61","67","10.1039/C9CE01447K","","","1.54184","CuKα","","0.3876","0.1668","","","0.391","0.5023","","","","","","1.003","","","","has coordinates,has disorder","257437","2020-10-21","18:00:00",""
"7235142","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O149.5 S16 -","- C313 H317 N24 O149.5 S16 -","- C1252 H1268 N96 O598 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.2282","0.1837","","","0.4178","0.4651","","","","","","1.627","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235143","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O77 S16 -","- C313 H317 N24 O77 S16 -","- C1252 H1268 N96 O308 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.1191","0.0831","","","0.2284","0.2815","","","","","","0.94","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235172","7.1235","0.0002","11.1935","0.0004","11.6744","0.0004","90","","97.716","0.001","90","","922.45","0.05","173.15","","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H18 Cl4 Cu N4 O -","- C14 H18 Cl4 Cu N4 O -","- C28 H36 Cl8 Cu2 N8 O2 -","2","1","","Jiang, Chunli; Luo, Qianqian; Fu, Hanmei; Lin, Hechun; Luo, Chunhua; Wang, Jianlu; Meng, Xiangjian; Peng, Hui; Duan, Chun-Gang; Chu, Junhao","Ferroelectricity and antiferromagnetism in organic‒inorganic hybrid (1,4-bis(imidazol-1-ylmethyl)benzene)CuCl4·H2O","CrystEngComm","2020","22","3","587","592","10.1039/C9CE01607D","","","1.54178","CuKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.121","","","","has coordinates","257487","2020-10-21","18:00:00",""
"7235203","6.7858","0.0002","8.7123","0.0002","18.1329","0.0004","99.099","0.002","91.152","0.002","97.907","0.002","1047.5","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N5 -","- C28 H15 N5 -","- C56 H30 N10 -","2","1","","Mandal, Arkalekha; Choudhury, Anwesha; Kumar, Rahul; Iyer, Parameswar Krishnan; Mal, Prasenjit","Exploring the semiconductor properties of a charge transfer cocrystal of 1-aminopyrene and TCNQ","CrystEngComm","2020","22","4","720","727","10.1039/C9CE01507H","","","1.54184","CuKα","","0.1352","0.1199","","","0.2771","0.2819","","","","","","1.021","","","","has coordinates","257457","2020-10-21","18:00:00",""
"7235204","17.0495","0.001","9.9661","0.0008","18.6572","0.0017","90","","115.397","0.006","90","","2863.8","0.4","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I2 N4 Ru -","- C20 H36 I2 N4 Ru -","- C80 H144 I8 N16 Ru4 -","4","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0755","0.0398","","","0.0884","0.1056","","","","","","0.874","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235205","9.19","0.0005","9.434","0.002","13.143","0.003","88.54","0.02","69.663","0.012","86.654","0.016","1066.6","0.3","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0737","0.036","","","0.0779","0.0914","","","","","","0.916","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235206","9.3125","0.0004","9.3992","0.0004","12.7543","0.0005","71.759","0.001","81.883","0.002","80.6","0.002","1041.2","0.08","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0817","0.068","","","0.2074","0.2633","","","","","","1.138","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235207","12.2003","0.0004","17.9075","0.0007","7.4507","0.0003","90","","99.935","0.001","90","","1603.4","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0352","0.0286","","","0.0576","0.0596","","","","","","1.26","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235208","12.1215","0.0004","17.8414","0.0006","7.3462","0.0002","90","","99.739","0.001","90","","1565.83","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0249","0.0219","","","0.046","0.047","","","","","","1.105","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235209","4.3401","0.0001","16.4262","0.0005","30.145","0.0011","90","","93.037","0.003","90","","2146.06","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 I3 O4 Pd -","- C16 H14 F3 I3 O4 Pd -","- C64 H56 F12 I12 O16 Pd4 -","4","1","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","x-ray","0.71073","MoKα","","0.0388","0.0344","","","0.0618","0.0633","","","","","","1.176","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235210","12.2282","0.0005","17.9253","0.0007","7.4916","0.0003","90","","99.941","0.001","90","","1617.46","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0403","0.0314","","","0.0723","0.0769","","","","","","1.055","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235211","12.1462","0.0004","17.866","0.0006","7.3776","0.0002","90","","99.848","0.001","90","","1577.38","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0262","0.0228","","","0.0477","0.0489","","","","","","1.143","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235212","12.1714","0.0004","17.8866","0.0006","7.4115","0.0003","90","","99.909","0.001","90","","1589.45","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0325","0.0269","","","0.0544","0.0561","","","","","","1.211","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235213","7.6304","0.0005","17.6827","0.0013","17.7371","0.0011","90","","90","","90","","2393.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O12 -","- C20 H20 Co N6 O12 -","- C80 H80 Co4 N24 O48 -","4","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.1301","0.073","","","0.1376","0.1607","","","","","","1.111","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235214","8.9683","0.0015","3.8091","0.0007","14.749","0.003","90","","91.476","0.013","90","","503.68","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.54178","CuKα","","0.1054","0.0696","","","0.2046","0.2481","","","","","","1.101","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235215","6.9152","0.0003","18.3958","0.0008","7.2525","0.0003","90","","115.199","0.002","90","","834.8","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.0518","0.045","","","0.1215","0.1289","","","","","","1.056","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235220","9.18848","0.00015","18.3718","0.0002","19.6091","0.00018","98.7879","0.0009","92.6442","0.001","97.7172","0.0013","3234.19","0.07","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H78 O14 -","- C80 H78 O14 -","- C160 H156 O28 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.0872","0.0802","","","0.2322","0.2417","","","","","","1.029","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235221","11.97202","0.00019","12.277","0.00018","12.64035","0.00017","90","","90","","90","","1857.88","0.05","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H17 N O2 -","- C28 H17 N O2 -","- C112 H68 N4 O8 -","4","0.5","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.048","0.0453","","","0.127","0.1307","","","","","","1.05","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235222","10.2344","0.0008","33.477","0.002","11.5077","0.001","90","","93.536","0.007","90","","3935.2","0.5","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 N4 O11 -","- C42 H42 N4 O11 -","- C168 H168 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.2056","0.1064","","","0.2472","0.2994","","","","","","0.995","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235223","14.3333","0.0005","11.8876","0.0004","16.9672","0.0006","90","","96.463","0.003","90","","2872.64","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C160 H104 N8 O16 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71073","MoKα","","0.0957","0.053","","","0.1046","0.1176","","","","","","1.024","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235224","33.4734","0.001","10.5712","0.0004","11.1961","0.0004","90","","90","","90","","3961.8","0.2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H43 N4 O11 -","- C42 H43 N4 O11 -","- C168 H172 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.0872","0.056","","","0.1358","0.1536","","","","","","1.04","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235225","10.3818","0.0005","10.9676","0.0002","18.7727","0.0005","95.299","0.002","98.714","0.003","91.279","0.003","2102.39","0.12","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44.8 H39.6 N3.6 O8.2 -","- C44.8 H39.6 N3.6 O8.2 -","- C89.6 H79.2 N7.2 O16.4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.1811","0.1379","","","0.3957","0.4352","","","","","","1.586","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235226","12.1391","0.0002","12.7561","0.00012","38.9751","0.0004","90","","90","","90","","6035.2","0.13","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C336 H208 N16 O32 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.099","0.0954","","","0.2882","0.2908","","","","","","1.146","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235227","30.1293","0.0019","30.1293","0.0019","8.9281","0.0006","90","","90","","120","","7018.9","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H24 Cl4 Cu N2 O5 -","- C24 H16 Cu N2 O4 -","- C216 H144 Cu9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0369","0.0339","","","0.1079","0.1094","","","","","","1.106","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235228","8.7775","0.0005","6.8216","0.0005","16.1117","0.0009","90","","105.151","0.002","90","","931.18","0.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C48 H32 Co2 N4 O8 -","2","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0405","0.0382","","","0.1103","0.1118","","","","","","1.124","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235229","15.516","0.002","17.11","0.002","9.6566","0.0014","90","","95.233","0.003","90","","2552.9","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl2 N2 O5 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0349","0.0305","","","0.0763","0.0802","","","","","","0.975","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235230","12.4544","0.0014","4.099","0.0005","23.844","0.003","90","","103.822","0.002","90","","1182","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu I N O2 -","- C12 H9 Cu I N O2 -","- C48 H36 Cu4 I4 N4 O8 -","4","1","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.032","0.0273","","","0.069","0.0802","","","","","","1.15","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235231","31.087","0.008","31.087","0.008","8.954","0.002","90","","90","","120","","7494","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 Cl2 Co N2 O6 -","- C24 H16 Co N2 O4 -","- C216 H144 Co9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.1058","0.0538","","","0.1281","0.1465","","","","","","0.944","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235232","10.75","0.003","13.933","0.005","14.348","0.005","73.692","0.012","74.143","0.012","68.269","0.012","1881.1","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H12 O10 Zn2 -","- C29 H12 O10 Zn2 -","- C58 H24 O20 Zn4 -","2","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1189","0.0653","","","0.1655","0.1807","","","","","","0.864","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235233","18.5664","0.0012","10.3393","0.0006","23.224","0.0013","90","","119.006","0.002","90","","3899","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 N2 O10 Zn2 -","- C39 H34 N2 O10 Zn2 -","- C156 H136 N8 O40 Zn8 -","4","0.5","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1148","0.0826","","","0.2587","0.2831","","","","","","1.101","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235234","13.36","0.004","17.2","0.004","14.314","0.004","90","","94.69","0.01","90","","3278.2","1.5","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26.5 H14 O5 Zn -","- C26.5 H14 O5 Zn -","- C106 H56 O20 Zn4 -","4","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71069","MoKα","","0.0763","0.0566","","","0.1568","0.1682","","","","","","0.951","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235235","44.21","0.002","44.21","0.002","44.21","0.002","90","","90","","90","","86410","7","150","2","150","2","","","","","","","","4","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C53.33 H27.08 O9.33 Zn2 -","- C53 H28 O9.33333 Zn2 -","- C2544 H1344 O448 Zn96 -","48","0.25","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1059","0.0546","","","0.1699","0.19","","","","","","1.039","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235236","12.012","0.003","9.465","0.003","15.801","0.005","90","","91.447","0.005","90","","1795.9","0.9","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Zhao, Hong-Ping; Liang, Gui-Chao; Nie, Shu-Min; Lu, Xiuqiang; Pan, Cheng-Xue; Zhong, Xin-Xian; Su, Gui-Fa; Mo, Dong-Liang","Metal-free graphene oxide-catalyzed aza-semipinacol rearrangement to prepare 2-(indol-2-yl)phenols and benzofuro[3,2-b]indolines containing quaternary carbon centers","Green Chemistry","2020","22","2","404","410","10.1039/C9GC03345A","","","0.71073","MoKα","","0.075","0.0448","","","0.116","0.1352","","","","","","1.032","","","","has coordinates","257595","2020-10-21","18:00:00",""
"7235247","11.241","0.003","5.7323","0.0017","17.696","0.005","90","","97.712","0.005","90","","1130","0.6","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","2","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.047","0.0397","","","0.0945","0.0981","","","","","","1.059","","","","has coordinates","257588","2020-10-21","18:00:00",""
"7235248","12.2746","0.0008","9.2499","0.0006","14.751","0.0009","90","","100.612","0.002","90","","1646.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.0781","0.0592","","","0.1182","0.1274","","","","","","1.029","","","","has coordinates","257588","2020-10-21","18:00:00",""
"7235249","14.568","0.002","5.0757","0.0008","16.496","0.003","90","","102.818","0.005","90","","1189.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","1","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.0944","0.0441","","","0.0762","0.0901","","","","","","1.011","","","","has coordinates,has disorder","257588","2020-10-21","18:00:00",""
"7235256","8.6559","0.0005","15.6308","0.0009","16.2787","0.0008","90","","90","","90","","2202.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","1","0.25","","Gohain, Shivanee Borpatra; Basumatary, Monika; Boruah, Purna K.; Das, Manash R.; Thakur, Ashim Jyoti","Nano Au/Pd-catalysed ‘on-water’ synthesis of C3‒C3′ diaryl-oxindole scaffolds via N2-selective dearomatization of indole","Green Chemistry","2020","22","1","170","179","10.1039/C9GC02370D","","","0.71073","MoKα","","0.1928","0.0596","","","0.1108","0.1538","","","","","","0.94","","","","has coordinates","257573","2020-10-21","18:00:00",""
"7235257","14.8779","0.0007","25.5062","0.0007","15.6343","0.0005","90","","104.511","0.002","90","","5743.6","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Br2 F6 Ir N4 P -","- C52 H46 Br2 F6 Ir N4 P -","- C208 H184 Br8 F24 Ir4 N16 P4 -","4","0.5","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0526","0.0485","","","0.1336","0.1375","","","","","","1.07","","","","has coordinates","257576","2020-10-21","18:00:00",""
"7235258","11.3884","0.0014","14.5156","0.0018","14.8459","0.0017","90","","105.062","0.005","90","","2369.9","0.5","173","2","173","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C40 H38 Br2 Cl0.5 F9 Ir N4 P1.5 -","- C40 H38 Br2 Cl0.5 F9 Ir N4 P1.5 -","- C80 H76 Br4 Cl F18 Ir2 N8 P3 -","2","0.5","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0762","0.0623","","","0.1864","0.2044","","","","","","1.018","","","","has coordinates,has disorder","257576","2020-10-21","18:00:00",""
"7235259","12.1698","0.0005","14.9926","0.0006","16.2329","0.0007","78.079","0.001","89.769","0.002","77.466","0.002","2826.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 F6 Ir N4 P -","- C64 H56 F6 Ir N4 P -","- C128 H112 F12 Ir2 N8 P2 -","2","1","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0447","0.0375","","","0.092","0.0955","","","","","","1.122","","","","has coordinates,has disorder","257576","2020-10-21","18:00:00",""
"7236906","9.5818","0.0003","9.2966","0.0003","29.1439","0.0009","90","","96.654","0.002","90","","2578.6","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N4 O -","- C30 H30 N4 O -","- C120 H120 N16 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1542","0.0707","","","0.1926","0.2428","","","","","","1.059","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236907","9.7349","0.0002","26.4673","0.0004","9.6839","0.0002","90","","110.107","0.001","90","","2343.05","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1827","0.048","","","0.096","0.1255","","","","","","0.777","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236908","9.0523","0.0002","9.4796","0.0003","15.3386","0.0004","101.215","0.002","96.659","0.002","117.266","0.002","1115.46","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1179","0.049","","","0.111","0.1356","","","","","","1.015","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236909","7.4345","0.0006","7.7857","0.0007","18.3205","0.0016","81.464","0.005","87.016","0.005","86.135","0.005","1045.36","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.087","0.0459","","","0.1293","0.1549","","","","","","0.999","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236911","23.2883","0.0016","23.2883","0.0016","14.1304","0.0011","90","","90","","120","","6636.8","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H60 N4 O50 Pr4 -","- C60 H40 N4 O40 Pr4 -","- C180 H120 N12 O120 Pr12 -","3","0.5","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0489","0.0369","","","0.0888","0.0923","","","","","","1.021","","","","has coordinates","257468","2020-10-21","18:00:00",""
"7236912","13.649","0.006","14.334","0.006","7.994","0.003","90","","92.233","0.016","90","","1562.8","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Gd N O9.5 -","- C16 H9 Gd N O9.5 -","- C64 H36 Gd4 N4 O38 -","4","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0238","0.0206","","","0.0435","0.0445","","","","","","1.205","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7236913","9.4885","0.0011","9.5857","0.001","12.4176","0.0014","93.605","0.004","108.083","0.004","112.343","0.003","971.8","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Dy N O11 -","- C15 H11 Dy N O11 -","- C30 H22 Dy2 N2 O22 -","2","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0368","0.0342","","","0.0954","0.0974","","","","","","1.044","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7238040","7.538","0.0001","14.0607","0.0002","12.3766","0.0001","90","","103.32","0.0005","90","","1276.5","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","","0.71073","MoKα","","0.0453","0.0391","","","0.0929","0.0971","","","","","","1.057","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238041","7.68546","0.00013","14.1282","0.0002","12.49862","0.00017","90","","102.16","0.0015","90","","1326.67","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","x-ray","1.54184","CuKα","","0.0446","0.0393","","","0.1012","0.1074","","","","","","1.034","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238042","14.3343","0.0012","25.123","0.002","18.1924","0.0014","90","","90","","90","","6551.5","0.9","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H33 N5 O12 Zn3 -","- C51 H33 N5 O12 Zn3 -","- C204 H132 N20 O48 Zn12 -","4","0.5","","Yan, Peng; Yang, Jucai; Hao, Xiangying; Chen, Zhisheng; Shen, Guanhua; Zhao, Yanhua; Ma, Deyun; Zhu, Jiaxin","A microporous zinc‒organic framework with Lewis basic pyridyl sites for highly selective C2H2/CH4 and C2H2/CO2 gas separation","CrystEngComm","2020","22","2","275","282","10.1039/C9CE01481K","","","0.71073","MoKα","","0.1159","0.0519","","","0.0984","0.1145","","","","","","0.8","","","","has coordinates,has disorder","257466","2020-10-21","18:00:00",""
"7238043","5.21733","0.00004","9.11328","0.00007","14.35413","0.00011","90","","90.7911","0.0003","90","","682.431","0.009","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","2","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0405","0.0405","","","0.112","0.112","","","","","","1.17","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238044","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine dihydrate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0278","0.0278","","","0.0751","0.0751","","","","","","1.104","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238045","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ectoine","1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.1698","neutrons","","0.0327","0.0317","","","0.08","0.0806","","","","","","1.146","","","","has coordinates,has disorder","257471","2020-10-21","18:00:00",""
"7238046","6.4219","0.0012","10.741","0.002","13.507","0.003","90","","95.887","0.003","90","","926.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Kong, Lingbin; Huang, Rong; He, Haodan; Fan, Yunxiang; Lin, Jun; Yan, Shengjiao","Multi-component solvent-free cascade reaction of 2-cyanoacetamides: regioselective synthesis of pyridin-2-ones bearing quaternary centers","Green Chemistry","2020","22","1","256","264","10.1039/C9GC03692J","","","0.71073","MoKα","","0.1226","0.05","","","0.1048","0.1279","","","","","","0.9","","","","has coordinates","257574","2020-10-21","18:00:00",""
"7238047","7.3319","0.0011","11.5409","0.0016","16.169","0.002","90","","99.147","0.002","90","","1350.8","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Kong, Lingbin; Huang, Rong; He, Haodan; Fan, Yunxiang; Lin, Jun; Yan, Shengjiao","Multi-component solvent-free cascade reaction of 2-cyanoacetamides: regioselective synthesis of pyridin-2-ones bearing quaternary centers","Green Chemistry","2020","22","1","256","264","10.1039/C9GC03692J","","","0.71073","MoKα","","0.0799","0.0473","","","0.1176","0.1354","","","","","","1.02","","","","has coordinates","257574","2020-10-21","18:00:00",""
"7239596","24.7106","0.0015","24.7106","0.0015","23.2547","0.0014","90","","90","","90","","14199.6","1.5","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C13.68 H13.68 As4 Ce24 Na2 O214 W36 -","- C13.68 H13.68 As4 Ce24 Na2 O294 W36 -","- C27.36 H27.36 As8 Ce48 Na4 O588 W72 -","2","0.25","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.042","0.0326","","","0.067","0.0712","","","","","","1.019","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239597","18.6179","0.0013","19.6067","0.0015","27.947","0.002","99.61","0.004","105.262","0.004","108.594","0.004","8970.2","1.2","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1258","0.059","","","0.1233","0.1454","","","","","","1.015","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239598","11.9097","0.0007","15.2185","0.0008","21.8082","0.0013","90.152","0.003","101.47","0.003","101.06","0.003","3798.4","0.4","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C18 H18 As2 Ce12 Na12 O171.5 W18 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1101","0.0709","","","0.1719","0.1991","","","","","","1.056","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239599","18.4264","0.0012","19.3634","0.0012","26.7239","0.0015","105.118","0.003","98.139","0.003","112.226","0.002","8207.4","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C6 H6 As6 Ce12 Na30 O312 W54 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1086","0.0649","","","0.1513","0.1838","","","","","","1.054","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239602","51.7838","0.0017","28.8494","0.0013","6.281","0.0002","90","","90","","90","","9383.4","0.6","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 Co N6 O4 -","- C48 H28 Co N6 O4 -","- C384 H224 Co8 N48 O32 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0623","0.0611","","","0.1817","0.1834","","","","","","1.061","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239603","51.726","0.005","29.1071","0.0011","6.2678","0.0003","90","","90","","90","","9436.8","1.1","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 N6 O4 Zn -","- C48 H28 N6 O4 Zn -","- C384 H224 N48 O32 Zn8 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0776","0.0766","","","0.2262","0.2299","","","","","","1.085","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239604","7.8353","0.0002","29.6326","0.0009","24.7561","0.0009","90","","91.232","0.003","90","","5746.6","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Co2 N4 O9 -","- C48 H30 Co2 N4 O9 -","- C192 H120 Co8 N16 O36 -","4","1","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.078","0.0573","","","0.1517","0.1688","","","","","","0.94","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239605","22.7662","0.0011","12.1453","0.0005","24.9282","0.0011","90","","98.796","0.002","90","","6811.6","0.5","298","","294.9","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cu2 N8 O14 V5 -","- C20 H30 Cu2 N8 O14 V5 -","- C160 H240 Cu16 N64 O112 V40 -","8","1","","Tian, Hong-Rui; Liu, Yi-Wei; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Xiao-Hui; Sun, Xiu-Wei; Lu, Ying; Liu, Shu-Xia","A multicentre synergistic polyoxometalate-based metal‒organic framework for one-step selective oxidative cleavage of β-O-4 lignin model compounds","Green Chemistry","2020","22","1","248","255","10.1039/C9GC03626A","","","0.71073","MoKα","","0.06","0.0455","","","0.0971","0.1034","","","","","","1.095","","","","has coordinates,has disorder","257575","2020-10-21","18:00:00",""
"7239625","16.538","0.005","8.3933","0.0015","7.205","0.0018","90","","101.82","0.03","90","","978.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-bis(4-fluorophenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C26 H12 F2 N2 O4 -","- C26 H12 F2 N2 O4 -","- C52 H24 F4 N4 O8 -","2","0.5","","Komissarova, Ekaterina A.; Dominskiy, Dmitry I.; Zhulanov, Vladimir E.; Abashev, George G.; Siddiqui, Afzal; Singh, Surya P.; Sosorev, Andrey Yu; Paraschuk, Dmitry Yu","Unraveling the unusual effect of fluorination on crystal packing in an organic semiconductor.","Physical chemistry chemical physics : PCCP","2020","22","3","1665","1673","10.1039/c9cp05455c","","","0.71073","MoKα","","0.0897","0.0606","","","0.1658","0.1963","","","","","","1.054","","","","has coordinates","247835","2020-10-21","18:00:00",""
"7239626","10.4782","0.0006","15.198","0.0009","18.5232","0.0009","90","","114.6","0.003","90","","2682","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Sm -","- C28 H16 N2 O9 Sm -","- C112 H64 N8 O36 Sm4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0805","0.0358","","","0.0551","0.0581","","","","","","1.039","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239627","10.415","0.0004","15.1696","0.0006","18.3689","0.0005","90","","114.362","0.002","90","","2643.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Dy N2 O9 -","- C28 H16 Dy N2 O9 -","- C112 H64 Dy4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0423","0.0342","","","0.0898","0.0936","","","","","","1.093","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239628","10.4591","0.0004","15.2111","0.0006","18.4571","0.0006","90","","114.593","0.002","90","","2670.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Gd N2 O9 -","- C28 H16 Gd N2 O9 -","- C112 H64 Gd4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0543","0.0376","","","0.0845","0.0902","","","","","","1.031","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239629","10.433","0.0006","15.2061","0.0009","18.4169","0.0009","90","","114.466","0.003","90","","2659.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Tb -","- C28 H16 N2 O9 Tb -","- C112 H64 N8 O36 Tb4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.057","0.0409","","","0.1015","0.1078","","","","","","1.084","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239630","10.4652","0.0004","15.1944","0.0006","18.4885","0.0006","90","","114.554","0.002","90","","2674.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Eu N2 O11 -","- C28 H20 Eu N2 O11 -","- C112 H80 Eu4 N8 O44 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0393","0.031","","","0.0737","0.0793","","","","","","1.032","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239634","8.1407","0.0003","8.7295","0.0003","15.6983","0.0005","78.8978","0.0011","79.5625","0.001","88.0006","0.0011","1076.6","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","1","0.5","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0479","0.0373","","","0.086","0.092","","","","","","1.029","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239635","35.2528","0.0006","15.7804","0.0003","13.089","0.0002","90","","109.954","0.001","90","","6844.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 K2 N10 O15.25 S2 -","- C24 H31 K2.002 N10 O15.25 S2 -","- C192 H248 K16.016 N80 O122 S16 -","8","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.083","0.0474","","","0.096","0.1163","","","","","","1.062","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239636","7.7666","0.0007","10.535","0.0009","20.5005","0.0017","90","","90.853","0.003","90","","1677.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","rgtm30m","","","- C12 H18 N5 Na O8 S -","- C12 H18 N5 Na O8 S -","- C48 H72 N20 Na4 O32 S4 -","4","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0767","0.0604","","","0.1285","0.1392","","","","","","1.106","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239637","7.207","0.0014","18.958","0.004","6.43","0.0013","90","","107.09","0.03","90","","839.7","0.3","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper coordination polymer","Cu-PDA","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","1","","Muthukumar, Pandi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Polymorphs of a copper coordination compound: interlinking active sites enhance the electrocatalytic activity of the coordination polymer compared to the coordination complex","CrystEngComm","2020","22","3","425","429","10.1039/C9CE01698H","","","0.61","synchrotron","","0.0346","0.033","","","0.0968","0.0976","","","","","","1.122","","","","has coordinates","257496","2020-10-21","18:00:00",""
"7239638","14.582","0.004","15.677","0.005","25.158","0.008","87.217","0.006","75.768","0.006","78.204","0.007","5457","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H106 Cl4 Cu4 Mn2 N22 O29 -","- C102 H100 Cl4 Cu4 Mn2 N22 O29 -","- C204 H200 Cl8 Cu8 Mn4 N44 O58 -","2","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","","0.71073","MoKα","","0.3005","0.0834","","","0.1701","0.2585","","","","","","0.937","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239639","12.3021","0.0004","12.3021","0.0004","42.415","0.002","90","","90","","90","","6419.2","0.4","130","0.1","130","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C8 H8 Br4 Na2 O8 -","- C8 H8 Br4 Na2 O8 -","- C128 H128 Br64 Na32 O128 -","16","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","x-ray","0.71073","MoKα","","0.0444","0.0364","","","0.0864","0.0903","","","","","","1.02","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239646","7.3955","0.0005","9.6559","0.0007","22.6536","0.0015","90","","96.448","0.002","90","","1607.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.074","0.0508","","","0.1354","0.1507","","","","","","1.017","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239647","7.4907","0.0006","9.7684","0.0008","10.3754","0.001","88.424","0.003","75.466","0.003","86.31","0.003","733.32","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C28 H38 N6 O4 -","2","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0616","0.0467","","","0.1271","0.1414","","","","","","1.05","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239648","7.5227","0.0003","15.5942","0.0006","13.0925","0.0005","90","","94.426","0.002","90","","1531.31","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4.08 -","- C15 H19 N3 O4.079 -","- C60 H76 N12 O16.316 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0527","0.0417","","","0.1177","0.1292","","","","","","0.919","","","","has coordinates,has disorder","257456","2020-10-21","18:00:00",""
"7239649","7.6003","0.0004","19.5864","0.0012","10.5405","0.0006","90","","93.758","0.002","90","","1565.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0506","0.0379","","","0.091","0.0994","","","","","","1.027","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239650","17.998","0.002","7.5198","0.0009","18.74","0.002","90","","97.185","0.003","90","","2516.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl N3 O2 -","- C12 H14 Cl N3 O2 -","- C96 H112 Cl8 N24 O16 -","8","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0691","0.0489","","","0.1075","0.1148","","","","","","1.047","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239651","8.4198","0.0003","10.7476","0.0003","16.418","0.0004","85.635","0.002","76.008","0.002","71.521","0.003","1367.3","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 K2 N2 O7 S4 -","- C17 H36 K2 N2 O7 S4 -","- C34 H72 K4 N4 O14 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.027","0.0261","","","0.0664","0.0672","","","","","","1.062","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239652","13.2315","0.0004","18.1852","0.0006","10.9088","0.0004","90","","97.753","0.003","90","","2600.85","0.15","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N2 O6 Rb2 S4 -","- C16 H32 N2 O6 Rb2 S4 -","- C64 H128 N8 O24 Rb8 S16 -","4","0.5","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0432","0.0317","","","0.0551","0.0583","","","","","","1.04","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239653","8.5349","0.0006","10.0169","0.0009","11.851","0.0007","101.882","0.007","101.773","0.006","107.864","0.007","904.01","0.13","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C13 H25 N2 O4 Rb S2 -","- C13 H25 N2 O4 Rb S2 -","- C26 H50 N4 O8 Rb2 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0493","0.0374","","","0.0646","0.069","","","","","","1.054","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239654","9.218","0.002","9.96","0.002","11.516","0.002","107.997","0.003","97.814","0.004","112.553","0.003","888.8","0.3","295.15","0.02","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O2 S2 -","- C13 H28 N2 O2 S2 -","- C26 H56 N4 O4 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","","0.71073","MoKα","","0.0657","0.0561","","","0.1394","0.1453","","","","","","1.056","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239655","7.7711","0.0004","9.8984","0.0004","13.0562","0.0005","68.661","0.004","76.137","0.004","76.487","0.004","896.21","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O5 S2 -","- C13 H28 N2 O5 S2 -","- C26 H56 N4 O10 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.0745","0.0721","","","0.2053","0.2063","","","","","","1.256","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239656","10.2515","0.0005","10.3826","0.0005","13.8953","0.0006","84.941","0.004","88.977","0.004","60.813","0.005","1285.63","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cs2 N2 O6 S4 -","- C16 H32 Cs2 N2 O6 S4 -","- C32 H64 Cs4 N4 O12 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0393","0.0324","","","0.0559","0.0593","","","","","","1.027","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239657","29.002","0.003","17.6197","0.0015","16.9351","0.0015","90","","90","","90","","8653.9","1.4","175","2","175","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H44 Cu10 I8 N8 O10 -","- C36 H44 Cu10 I8 N8 O10 -","- C144 H176 Cu40 I32 N32 O40 -","4","0.25","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","0.71073","MoKα","","0.0384","0.0315","","","0.0896","0.0926","","","","","","1.05","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239658","63.596","0.002","19.6651","0.0007","41.5695","0.0014","90","","130.571","0.001","90","","39490","2","175","2","175","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H80 Cu8 I4 N8 O16 -","- C112 H80 Cu8 I4 N8 O16 -","- C896 H640 Cu64 I32 N64 O128 -","8","1","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.0973","0.0894","","","0.3184","0.3334","","","","","","1.065","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239659","49.2699","0.0009","49.2699","0.0009","35.3426","0.0014","90","","90","","120","","74301","4","175","2","175","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H20 Cu6 I4 N4 O10 -","- C24 H20 Cu6 I4 N4 O10 -","- C432 H360 Cu108 I72 N72 O180 -","18","0.5","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.1111","0.0684","","","0.1879","0.2071","","","","","","1.003","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239660","12.6209","0.0006","15.82","0.0004","30.3571","0.0015","90","","90","","90","","6061.2","0.4","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/dopamine metastable complex","","","- C44 H75 Cl N25 O27.5 -","- C44 H48 Cl N25 O27.5 -","- C176 H192 Cl4 N100 O110 -","4","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1136","0.0947","","","0.257","0.282","","","","","","1.019","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239661","50.711","0.002","50.711","0.002","12.5325","0.0008","90","","90","","120","","27911","2","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/dopamine complex","","","- C44 H76 Cl N25 O28 -","- C44 H48 Cl N25 O27.916 -","- C792 H864 Cl18 N450 O502.488 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1104","0.0938","","","0.2792","0.3057","","","","","","1.105","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239662","48.442","0.002","48.442","0.002","12.4117","0.0004","90","","90","","120","","25223.5","1.7","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","'cucurbit[6]uril/dopamine complex - dried in air'","","","- C44 H62.67 Cl N25 O21.33 -","- C44 H48 Cl N25 O20.9493 -","- C792 H864 Cl18 N450 O377.088 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1379","0.1165","","","0.3189","0.3422","","","","","","1.129","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239666","11.5531","0.0015","14.3534","0.0017","19.165","0.002","90","","102.03","0.003","90","","3108.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.4 H36.2 Cd N4 O4.7 -","- C33.4 H36.2 Cd N4 O4.7 -","- C133.6 H144.8 Cd4 N16 O18.8 -","4","0.5","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0705","0.0609","","","0.1781","0.1918","","","","","","1.089","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239667","6.7975","0.0008","11.3175","0.0013","14.7971","0.0017","70.989","0.002","77.811","0.002","87.456","0.002","1051.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cd N2 O5 -","- C23 H20 Cd N2 O5 -","- C46 H40 Cd2 N4 O10 -","2","1","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0227","0.0209","","","0.0583","0.0594","","","","","","1.006","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239668","7.6603","0.0004","30.664","0.0017","17.501","0.0011","90","","90.996","0.002","90","","4110.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cu N6 O7 -","- C42 H58 Cu N6 O7 -","- C168 H232 Cu4 N24 O28 -","4","1","","Khan, Huzaifa Yasir; Tabassum, Sartaj; Arjmand, Farukh","Evaluation of cytotoxic potential of structurally well-characterized RNA targeted ionic non-steroidal anti-inflammatory (NSAID) Cu(ii) & Zn(ii) DACH‒mefenamato drug conjugates against human cancer cell lines","RSC Advances","2020","10","1","166","178","10.1039/C9RA07464C","","","0.71073","MoKα","","0.0747","0.0653","","","0.1411","0.1493","","","","","","1.0594","","","","has coordinates","258009","2020-10-21","18:00:00",""
"7239669","18.4449","0.001","10.4561","0.0005","3.8127","0.0002","90","","93.617","0.002","90","","733.86","0.07","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H10 F Ga N2 O8 -","- C14 H10 F Ga N2 O8 -","- C28 H20 F2 Ga2 N4 O16 -","2","0.25","","Wu, Junbiao; Lou, Luqi; Sun, Huaying; Tao, Chunyao; Li, Teng; Wang, Zhuopeng; Zhang, Xia; Li, Jiyang","Photochromic inorganic‒organic complex derived from low-cost deep eutectic solvents with tunable photocurrent responses and photocatalytic properties","CrystEngComm","2020","22","6","1078","1085","10.1039/C9CE01727E","","","0.71073","MoKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.176","","","","has coordinates","257474","2020-10-21","18:00:00",""
"7239670","9.0134","0.0004","9.0528","0.0004","9.6602","0.0005","70.923","0.002","76.94","0.002","75.474","0.002","712.15","0.06","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C32 H26 N6 O8 -","2","1","","Saini, Sanjeev; Mayank,; Kaur, Navneet; Singh, Narinder","A cytochrome c-urea functionalized dipeptide conjugate: an efficient HBD framework to synthesize 4H-pyrans via one-pot multicomponent reaction","Green Chemistry","2020","22","3","956","968","10.1039/C9GC03512E","","","0.71073","MoKα","","0.0559","0.044","","","0.1111","0.1239","","","","","","1.096","","","","has coordinates","257626","2020-10-21","18:00:00",""
"7239671","11.143","0.006","14.102","0.007","16.943","0.009","105.376","0.008","96.152","0.009","105.879","0.009","2422","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","1","0.5","","Zhang, Jie; Zhou, Wendi; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping","A stable dual-emitting dye@LMOF luminescence probe for the rapid and visible detection of organophosphorous pesticides in aqueous media","CrystEngComm","2020","22","6","1050","1056","10.1039/C9CE01846H","","","0.71073","MoKα","","0.0994","0.0477","","","0.1075","0.1263","","","","","","0.887","","","","has coordinates","257472","2020-10-21","18:00:00",""
"7239672","9.582","0.0009","14.7653","0.0013","16.1241","0.0012","90","","90","","90","","2281.3","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Mn N9 O4 -","- C17 H21 Cl2 Mn N9 O4 -","- C68 H84 Cl8 Mn4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0306","0.0295","","","0.0726","0.0733","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239673","9.5465","0.0006","14.6856","0.001","15.9616","0.0012","90","","90","","90","","2237.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Co N9 O4 -","- C17 H21 Cl2 Co N9 O4 -","- C68 H84 Cl8 Co4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0271","0.0248","","","0.06","0.0613","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239674","9.396","0.004","14.669","0.006","16.074","0.007","90","","90","","90","","2215.5","1.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Fe N9 O4 -","- C17 H21 Cl2 Fe N9 O4 -","- C68 H84 Cl8 Fe4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0351","0.0312","","","0.0741","0.0765","","","","","","0.992","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239675","10.2032","0.0003","12.8833","0.0005","19.1031","0.0006","80.2128","0.0017","79.7746","0.0012","80.6301","0.0016","2412.39","0.14","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl4 Fe2 N18 O17 -","- C34 H42 Cl4 Fe2 N18 O17 -","- C68 H84 Cl8 Fe4 N36 O34 -","2","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0623","0.0576","","","0.1663","0.1719","","","","","","1.019","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239676","9.4888","0.0007","14.7278","0.0009","15.9298","0.001","90","","90","","90","","2226.2","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 Ni O4 -","- C17 H21 Cl2 N9 Ni O4 -","- C68 H84 Cl8 N36 Ni4 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0242","0.0228","","","0.0548","0.0553","","","","","","1.058","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239677","9.5605","0.0008","14.6922","0.0011","15.96","0.0014","90","","90","","90","","2241.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 O4 Zn -","- C17 H21 Cl2 N9 O4 Zn -","- C68 H84 Cl8 N36 O16 Zn4 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0727","0.0462","","","0.0835","0.0956","","","","","","1.015","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239678","4.7829","0.0014","11.669","0.004","21.83","0.007","90","","93.778","0.012","90","","1215.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid/1,2-Phenylendiamine","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Tier, Aniele Z.; Wust, Keli M.; Vieira, Jean C. B.; Sardo, Mariana; Čendak, Tomaž; Mafra, Luís; Rocha, João; Gindri, Izabelle M.; Hörner, Manfredo; Frizzo, Clarissa P.","Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine","CrystEngComm","2020","22","4","708","719","10.1039/C9CE01650C","","","0.71073","MoKα","","0.0544","0.0393","","","0.0993","0.1084","","","","","","1.043","","","","has coordinates","257455","2020-10-21","18:00:00",""
"7239679","27.453","0.006","16.474","0.003","20.208","0.004","90","","104.43","0.03","90","","8851","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Ce Cu6 I9 N8 O12 -","- C68 H48 Ce Cu6 I9 N8 O12 -","- C272 H192 Ce4 Cu24 I36 N32 O48 -","4","1","","Liu, Jian-Jun; You, Ming-Hua; Li, Meng-Hua; Huang, Chang-Cang; Lin, Mei-Jin","A heterometallic D‒A hybrid heterostructural framework with enhanced visible-light photocatalytic properties","CrystEngComm","2020","22","3","420","424","10.1039/C9CE01582E","","","0.71073","MoKα","","0.1421","0.0703","","","0.1639","0.1951","","","","","","1.056","","","","has coordinates","257493","2020-10-21","18:00:00",""
"7239680","6.5011","0.0008","10.2497","0.0012","11.0964","0.0013","97.74","0.01","99.84","0.011","90.131","0.01","721.64","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","CBNT","carbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C10 H28 N28 O14 -","2","1","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","x-ray","0.71073","MoKα","","0.1036","0.0597","","","0.1394","0.1664","","","","","","1.054","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239681","6.0311","0.0002","6.9489","0.0002","11.1061","0.0004","77.437","0.001","89.786","0.001","75.146","0.001","438.46","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","1","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0396","0.0353","","","0.0905","0.0947","","","","","","1.027","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239682","5.246","0.0002","17.8848","0.0007","6.3117","0.0002","90","","112.398","0.002","90","","547.51","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C8 H16 N20 O12 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.037","0.0342","","","0.0877","0.0904","","","","","","1.058","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239683","12.991","0.0007","4.6699","0.0002","14.4974","0.0007","90","","95.171","0.002","90","","875.93","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","H2BNT.2DMSO","","","- C8 H16 N10 O6 S2 -","- C8 H16 N10 O6 S2 -","- C16 H32 N20 O12 S4 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0482","0.0431","","","0.1215","0.1267","","","","","","1.047","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239684","23.5305","0.0006","18.3481","0.0005","22.9597","0.0006","90","","110.077","0.0012","90","","9310.3","0.4","296","2","296.15","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C37 H29 Co2 N7 O11 Si -","- C37 H29 Co2 N7 O11 Si -","- C296 H232 Co16 N56 O88 Si8 -","8","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0547","0.0415","","","0.1131","0.1223","","","","","","1.04","","","","has coordinates","257495","2020-10-21","18:00:00",""
"7239685","13.1934","0.0007","25.825","0.0014","23.1357","0.0012","90","","91.599","0.003","90","","7879.7","0.7","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Co3 N7 O22 Si2 -","- C65 H53 Co3 N7 O22 Si2 -","- C260 H212 Co12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0667","0.0464","","","0.12","0.1332","","","","","","1.019","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239686","13.3181","0.0012","26.176","0.003","23.309","0.0019","90","","93.237","0.003","90","","8112.9","1.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Cd3 N7 O22 Si2 -","- C65 H53 Cd3 N7 O22 Si2 -","- C260 H212 Cd12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0792","0.0477","","","0.1201","0.1303","","","","","","1.07","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239687","10.539","0.0003","15.4431","0.0004","11.3497","0.0003","90","","105.214","0.001","90","","1782.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C76 H108 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.045","0.0368","","","0.0965","0.1025","","","","","","1.012","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239688","14.9094","0.0006","12.1019","0.0005","10.5363","0.0005","90","","107.758","0.001","90","","1810.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0466","0.0372","","","0.0986","0.1052","","","","","","1.04","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239689","9.4774","0.0004","12.916","0.0006","15.3582","0.0007","90","","99.847","0.001","90","","1852.3","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0455","0.0367","","","0.1086","0.1157","","","","","","1.045","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239690","19.645","0.004","15.735","0.003","14.349","0.003","90","","114.347","0.007","90","","4041","1.4","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0767","0.0533","","","0.1496","0.1646","","","","","","1.122","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239691","18.8607","0.0008","15.592","0.0007","14.1742","0.0006","90","","109.206","0.001","90","","3936.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0771","0.0459","","","0.1276","0.1505","","","","","","1","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239692","10.5361","0.0006","11.2474","0.0006","16.3452","0.001","90","","100.077","0.002","90","","1907.09","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O3 S -","- C19 H24 F3 N O3 S -","- C76 H96 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0581","0.0428","","","0.1216","0.1326","","","","","","1.08","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239693","12.0138","0.0006","12.648","0.0006","13.5487","0.0007","107.167","0.002","111.066","0.002","97.215","0.002","1772.5","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O3 S -","- C18 H24 N2 O3 S -","- C72 H96 N8 O12 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.075","0.0466","","","0.1128","0.1264","","","","","","1.005","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239694","6.6214","0.0014","10.2453","0.0017","13.391","0.002","91.638","0.014","96.14","0.017","100.447","0.016","887.2","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C38 H54 N2 O4 S2 -","2","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","x-ray","1.54184","CuKα","","0.062","0.0422","","","0.1183","0.135","","","","","","0.983","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239695","11.0788","0.0005","12.2658","0.0006","12.9608","0.0006","90","","108.438","0.001","90","","1670.84","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0589","0.0449","","","0.1215","0.1321","","","","","","0.993","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239696","13.3372","0.0006","6.7727","0.0003","21.8857","0.001","90","","101.262","0.002","90","","1938.84","0.15","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H28 N2 O5 S -","- C18 H28 N2 O5 S -","- C72 H112 N8 O20 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0659","0.0476","","","0.1037","0.1121","","","","","","0.986","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239697","19.5823","0.0013","15.69","0.001","14.2997","0.001","90","","114.189","0.002","90","","4007.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0745","0.0501","","","0.1439","0.1607","","","","","","1.135","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239698","10.5236","0.0003","13.9711","0.0004","14.1761","0.0004","78.441","0.001","85.252","0.001","73.432","0.001","1956.48","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O2 S -","- C21 H31 N O2 S -","- C84 H124 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0652","0.0453","","","0.1152","0.1265","","","","","","1.016","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239699","11.0703","0.0005","12.2683","0.0005","13.2315","0.0006","107.558","0.002","90.903","0.002","102.794","0.002","1664.16","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C68 H80 F12 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0822","0.0499","","","0.1146","0.1287","","","","","","1.014","","","","has coordinates,has disorder","257469","2020-10-21","18:00:00",""
"7239700","4.7609","0.0005","8.472","0.001","23.813","0.002","90","","92.392","0.007","90","","959.64","0.17","250","","250","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Cl N -","- C9 H10 Cl0.5 N0.5 -","- C36 H40 Cl2 N2 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.0837","0.0603","","","0.1927","0.2033","","","","","","1.112","","","","has coordinates,has disorder","257492","2020-10-21","18:00:00",""
"7239701","5.9346","0.0006","11.9374","0.0014","13.4258","0.0015","73.485","0.009","85.966","0.008","82.697","0.008","903.91","0.18","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N O2 -","- C22 H22 N O2 -","- C44 H44 N2 O4 -","2","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.1615","0.1032","","","0.2683","0.3299","","","","","","1.12","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239702","5.8479","0.0003","8.0949","0.0004","40.0427","0.0014","90","","91.972","0.003","90","","1894.43","0.15","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1006","0.0901","","","0.2172","0.2224","","","","","","1.295","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239703","17.6232","0.0019","5.4878","0.0006","20.948","0.002","90","","108.417","0.007","90","","1922.2","0.4","250","2","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1393","0.0685","","","0.1406","0.1734","","","","","","0.992","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239704","30.706","0.002","9.6913","0.0007","11.0426","0.0009","90","","90","","90","","3286.1","0.4","296.4","0.8","296.4","0.8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.1443","0.0687","","","0.168","0.2141","","","","","","0.961","","","","has coordinates,has disorder","257489","2020-10-21","18:00:00",""
"7239705","11.725","0.001","6.1271","0.0004","16.0527","0.0015","90","","99.628","0.009","90","","1136.99","0.16","294","0.3","294","0.3","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H18 N O4 -","- C9 H18 N O4 -","- C36 H72 N4 O16 -","4","1","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.051","0.0429","","","0.1064","0.1141","","","","","","1.088","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239706","11.5328","0.001","6.1123","0.0005","16.0138","0.0014","90","","99.78","0.009","90","","1112.44","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H36 N2 O8 -","- C18 H36 N2 O8 -","- C36 H72 N4 O16 -","2","0.5","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0427","0.0398","","","0.0997","0.1026","","","","","","1.084","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239707","9.5719","0.0007","30.798","0.002","10.9331","0.0009","90","","90","","90","","3223","0.4","153","0.7","153","0.7","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0883","0.0638","","","0.1403","0.1609","","","","","","1.094","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239708","25.482","0.004","10.5445","0.0013","11.8015","0.0013","90","","90","","90","","3171","0.7","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H15 Cl N4 O4 -","- C14 H15 Cl N4 O4 -","- C112 H120 Cl8 N32 O32 -","8","0.5","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.1068","0.0887","","","0.2646","0.2899","","","","","","1.162","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239709","15.144","0.002","7.7696","0.001","11.1165","0.0014","90","","106.259","0.014","90","","1255.7","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","x-ray","0.71073","MoKα","","0.0356","0.0315","","","0.0807","0.0839","","","","","","1.03","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239710","11.4937","0.0006","14.6527","0.0007","22.6545","0.0006","71.776","0.003","87.979","0.003","85.994","0.004","3614.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cd2 Cl4 N16 O25 -","- C56 H64 Cd2 Cl4 N16 O25 -","- C112 H128 Cd4 Cl8 N32 O50 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","1.54184","CuKα","","0.0628","0.0558","","","0.1437","0.1492","","","","","","1.032","","","","has coordinates,has disorder","257451","2020-10-21","18:00:00",""
"7239711","9.8814","0.0003","14.19","0.0004","15.7164","0.0005","94.95","0.003","91.893","0.003","100.06","0.003","2159.13","0.12","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36.8 H34 Cd N8.4 O6 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.0591","0.0551","","","0.1377","0.1399","","","","","","1.065","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239712","9.8572","0.0005","14.2441","0.0007","15.6512","0.0009","96.235","0.004","94.357","0.004","100.569","0.004","2137.1","0.2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cd N8 O9 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.075","0.063","","","0.1472","0.1511","","","","","","1.108","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239713","8.486","0.001","15.1787","0.0018","16.604","0.002","90","","97.43","0.004","90","","2120.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 S Se -","- C23 H20 O4 S Se -","- C92 H80 O16 S4 Se4 -","4","1","","Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng","General sulfone construction via sulfur dioxide surrogate control","Green Chemistry","2020","22","2","322","326","10.1039/C9GC03841H","","","0.71073","MoKα","","0.0582","0.0437","","","0.1134","0.1229","","","","","","1.03","","","","has coordinates","257593","2020-10-21","18:00:00",""
"7239714","11.2374","0.0001","10.3578","0.0001","16.9587","0.0001","90","","90","","90","","1973.9","0.03","292.7","0.6","292.7","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C88 H80 O16 S8 -","8","1","","Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng","General sulfone construction via sulfur dioxide surrogate control","Green Chemistry","2020","22","2","322","326","10.1039/C9GC03841H","","x-ray","1.54184","CuKα","","0.0351","0.034","","","0.0916","0.0927","","","","","","1.031","","","","has coordinates","257593","2020-10-21","18:00:00",""
"7239715","15.4973","0.0003","10.5001","0.0002","9.92584","0.00018","90","","90.3156","0.0016","90","","1615.14","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O2 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","1","","Xu, Zhongnan; Huang, Zhixing; Li, Yueheng; Kuniyil, Rositha; Zhang, Chao; Ackermann, Lutz; Ruan, Zhixiong","Catalyst-free, direct electrochemical synthesis of annulated medium-sized lactams through C‒C bond cleavage","Green Chemistry","2020","22","4","1099","1104","10.1039/C9GC03901E","","x-ray","1.54184","CuKα","","0.0418","0.0392","","","0.104","0.1068","","","","","","1.053","","","","has coordinates","257589","2020-10-21","18:00:00",""
"7239716","20.3378","0.001","20.3378","0.001","18.3367","0.0011","90","","90","","90","","7584.5","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C336 H352 N32 O32 -","16","1","","Li, Jianxiao; Yu, Junsheng; Xiong, Wenfang; Tang, Hao; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng","A palladium-catalyzed oxidative aminocarbonylation reaction of alkynone O-methyloximes with amines and CO in PEG-400","Green Chemistry","2020","22","2","465","470","10.1039/C9GC03562A","","x-ray","0.71073","MoKα","","0.0805","0.0598","","","0.141","0.1522","","","","","","1.063","","","","has coordinates","257594","2020-10-21","18:00:00",""
"7239717","8.3885","0.0004","8.501","0.0004","12.0706","0.0006","106.955","0.001","105.901","0.001","100.707","0.001","758.1","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","1","0.5","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0246","0.0226","","","0.0618","0.0634","","","","","","1.057","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239718","17.3","0.0002","17.3","0.0002","14.446","0.0003","90","","90","","90","","4323.54","0.11","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C32 H80 Gd9 N16 O50 -","- C32 H80 Gd9 N16 O50 -","- C64 H160 Gd18 N32 O100 -","2","0.25","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0253","0.0236","","","0.0563","0.0573","","","","","","1.033","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239719","18.4916","0.0016","18.4916","0.0016","21.4412","0.0019","90","","90","","90","","7331.6","1.1","296","2","296.15","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C48 H32 Gd12 N16 O64 -","- C48 H32 Gd12 N16 O64 -","- C96 H64 Gd24 N32 O128 -","2","0.125","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0564","0.0506","","","0.1429","0.1467","","","","","","1.038","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239720","13.1979","0.0016","11.4803","0.001","10.34","0.0009","90","","90","","90","","1566.7","0.3","200","0.1","200","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.1202","0.0648","","","0.1069","0.1316","","","","","","1.039","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239721","10.8929","0.0006","8.8947","0.0005","15.66","0.0008","90","","90","","90","","1517.28","0.14","200","0.1","200","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H9 O2 -","- C11 H9 O2 -","- C88 H72 O16 -","8","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.078","0.051","","","0.1046","0.1188","","","","","","1.038","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239722","9.2415","0.0004","11.3298","0.0005","8.8293","0.0004","90","","90.639","0.004","90","","924.41","0.07","199.98","0.1","199.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.0577","0.0455","","","0.1076","0.1152","","","","","","1.038","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239723","7.2797","0.0005","14.3957","0.0012","32.249","0.003","90","","90","","90","","3379.6","0.5","298","2","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","1","","Rao, Jiarui; Liu, Liwei; Zeng, Dan; Wang, Mingwei; Xiang, Meng; Yang, Song","Antibiotic activities of propanolamine containing 1,4-benzoxazin-3-ones against phytopathogenic bacteria","RSC Advances","2020","10","2","682","688","10.1039/C9RA09639F","","","0.71073","MoKα","","0.1155","0.0549","","","0.1263","0.1557","","","","","","1.041","","","","has coordinates","258051","2020-10-21","18:00:00",""
"7239724","6.8844","0.0004","16.4488","0.0008","19.824","0.001","90","","98.802","0.002","90","","2218.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gold(III) meso-(4-trifluoromethylphenyl)dipyrrin-bisphenolate","","- C28 H16 Au F3 N2 O2 -","- C28 H16 Au F3 N2 O2 -","- C112 H64 Au4 F12 N8 O8 -","4","1","","Thomas, Kolle E.; Desbois, Nicolas; Conradie, Jeanet; Teat, Simon J.; Gros, Claude P.; Ghosh, Abhik","Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal‒ligand interactions","RSC Advances","2020","10","1","533","540","10.1039/C9RA09228E","","","0.7288","synchrotron","","0.0462","0.0392","","","0.1106","0.1131","","","","","","1.332","","","","has coordinates","258010","2020-10-21","18:00:00",""
"7239725","11.8376","0.0002","19.8062","0.0004","11.5994","0.0003","90","","93.465","0.001","90","","2714.6","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu N4 O6 -","- C31 H22 Cu N4 O6 -","- C124 H88 Cu4 N16 O24 -","4","1","","Huang, Chao; Zhu, Kaifang; Lu, Guizhen; Zhang, Yingying; Wang, Dandan; Zhang, Dianbo; Mi, Liwei; Hou, Hongwei","Oriented assembly of copper metal‒organic framework membranes as tandem catalysts to enhance C‒H hydroxyalkynylation reactions with regiocontrol","CrystEngComm","2020","22","4","802","810","10.1039/C9CE01719D","","","0.71073","MoKα","","0.0788","0.0697","","","0.1911","0.2012","","","","","","1.054","","","","has coordinates","257454","2020-10-21","18:00:00",""
"7239726","32.816","0.012","9.466","0.005","33.049","0.013","90","","118.73","0.03","90","","9002","7","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C34 H24 Br2 Co2 N6 O8 -","- C34 H24 Br2 Co2 N6 O8 -","- C272 H192 Br16 Co16 N48 O64 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0531","0.0338","","","0.078","0.0843","","","","","","1.044","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239727","19.47","0.003","11.53","0.015","29.73","0.004","90","","107.15","0.009","90","","6377","8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 Co3 N12 O16 S2 -","- C52 H46 Co3 N12 O16 S2 -","- C208 H184 Co12 N48 O64 S8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0953","0.0803","","","0.1981","0.2053","","","","","","1.174","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239728","52.46","0.007","7.211","0.001","19.47","0.003","90","","90","","90","","7365.3","1.8","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C112 H106 Co5 N28 O28 -","- C112 H106 Co5 N28 O28 -","- C224 H212 Co10 N56 O56 -","2","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0565","0.0352","","","0.07","0.072","","","","","","1.099","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239729","33.563","0.019","12.204","0.004","10.119","0.004","90","","90","","90","","4145","3","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H14 Co N4 O4 -","- C17 H14 Co N4 O4 -","- C136 H112 Co8 N32 O32 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0407","0.0374","","","0.1016","0.1036","","","","","","1.057","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239730","7.1396","0.0018","15.021","0.004","17.652","0.005","90","","96.825","0.004","90","","1879.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N4 O7 -","- C17 H24 N4 O7 -","- C68 H96 N16 O28 -","4","1","","Appiagyei, Benjamin; Bhatia, Souful; Keeney, Gabriela L.; Dolmetsch, Troy; Jackson, James E.","Electroactivated alkylation of amines with alcohols via both direct and indirect borrowing hydrogen mechanisms","Green Chemistry","2020","22","3","860","869","10.1039/C9GC03747K","","","0.71073","MoKα","","0.1038","0.0637","","","0.1688","0.2027","","","","","","1.028","","","","has coordinates,has disorder","257628","2020-10-21","18:00:00",""
"7239731","8.8182","0.0005","10.111","0.0004","21.493","0.0009","90","","90","","90","","1916.33","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H8 N2 O3 P Zn -","- C7 H8 N2 O3 P Zn -","- C56 H64 N16 O24 P8 Zn8 -","8","1","","Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei","Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production","RSC Advances","2020","10","2","812","817","10.1039/C9RA06919D","","","0.71073","MoKα","","0.0442","0.0317","","","0.0714","0.0782","","","","","","1.03","","","","has coordinates,has disorder","258048","2020-10-21","18:00:00",""
"7239732","5.2103","0.0002","11.7634","0.0005","17.4168","0.0008","90","","99.315","0.004","90","","1053.41","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N2 O3 P Zn -","- C8 H9 N2 O3 P Zn -","- C32 H36 N8 O12 P4 Zn4 -","4","1","","Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei","Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production","RSC Advances","2020","10","2","812","817","10.1039/C9RA06919D","","","0.71073","MoKα","","0.1774","0.1745","","","0.4731","0.474","","","","","","1.156","","","","has coordinates","258048","2020-10-21","18:00:00",""
"7239740","7.4239","0.0014","7.4239","0.0014","13.169","0.003","90","","90","","90","","725.8","0.3","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co0.69 Cs1.29 Ge1.81 O5 -","- Co0.691 Cs1.2858 Ge1.809 O5 -","- Co2.764 Cs5.1432 Ge7.236 O20 -","4","0.5","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0217","0.0206","","","0.0514","0.0518","","","","","","1.062","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239741","8.9926","0.0004","5.4599","0.0002","9.3958","0.0006","90","","91.5928","0.0018","90","","461.14","0.04","301","2","301","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Co0.5 Cs O4 Si1.5 -","- Co0.5 Cs O4 Si1.5 -","- Co2 Cs4 O16 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0428","0.0457","","","","","","1.15","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239742","8.996","0.002","5.45","0.001","9.381","0.002","90","","90.709","0.017","90","","459.9","0.16","301","2","301","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co2 Cs3.44 O16 Rb0.56 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0345","0.0309","","","0.0706","0.0741","","","","","","1.091","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239743","7.354","0.0006","7.354","0.0006","13.1122","0.0011","90","","90","","90","","709.13","0.1","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co Cs2 Ge4 O10 -","- Co Cs2 Ge4 O10 -","- Co2 Cs4 Ge8 O20 -","2","0.25","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0248","0.0235","","","0.0651","0.0661","","","","","","1.221","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239744","9.8461","0.0012","9.2276","0.0011","10.1454","0.0012","90","","115.242","0.002","90","","833.75","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 S -","- C11 H7 S -","- C44 H28 S4 -","4","1","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.1733","0.1595","","","0.4885","0.5128","","","","","","2.478","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239745","9.3335","0.001","10.1341","0.0012","15.08","0.0018","90","","101.55","0.002","90","","1397.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C64 H64 N4 O8 -","2","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0803","0.0487","","","0.1205","0.1432","","","","","","1.015","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239746","18.3966","0.0019","11.3788","0.0012","7.4311","0.0008","90","","90","","90","","1555.6","0.3","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0644","0.0449","","","0.1228","0.1433","","","","","","0.942","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239747","9.1632","0.0014","8.9491","0.0014","10.3448","0.0016","90","","111.284","0.002","90","","790.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C44 H28 O4 -","2","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0577","0.0421","","","0.1127","0.1248","","","","","","1.049","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239748","13.9788","0.0008","11.5307","0.0008","7.4437","0.0003","90","","90","","90","","1199.82","0.12","298","","298","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C13 H11 Cl Cu N3 -","- C13 H11 Cl Cu N3 -","- C52 H44 Cl4 Cu4 N12 -","4","0.5","","Shemchuk, Oleksii; Braga, Dario; Grepioni, Fabrizia; Turner, Raymond J.","Co-crystallization of antibacterials with inorganic salts: paving the way to activity enhancement","RSC Advances","2020","10","4","2146","2149","10.1039/C9RA10353H","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0184","2.47454","","","","","","","has coordinates","258038","2020-10-21","18:00:00",""
"7239749","6.069","0.004","8.501","0.002","12.518","0.003","90","","98","0.04","90","","639.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiophene....","","- C10 H12 N4 O2 S2 -","- C10 H12 N4 O2 S2 -","- C20 H24 N8 O4 S4 -","2","0.5","","Al-Zaqri, Nabil; Khatib, Tamer; Alsalme, Ali; Alharthi, Fahad A.; Zarrouk, Abdelkader; Warad, Ismail","Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kinetics via FWO and KAS models","RSC Advances","2020","10","4","2037","2048","10.1039/C9RA09831C","","","0.71073","MoKα","","0.05","0.0384","","","0.0859","0.0935","","","","","","1.062","","","","has coordinates","258036","2020-10-21","18:00:00",""
"7239750","10.51","0.003","11.377","0.003","32.058","0.009","90","","93.828","0.007","90","","3824.7","1.8","123","2","123","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 O4 Si2 -","- C40 H58 O4 Si2 -","- C160 H232 O16 Si8 -","4","1","","Ohno, Shohei; Avena, Ramon Francisco; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Thermal [2 + 2]-cycloaddition between silylalkynes and allenylphenols followed by the nucleophilic addition of water: metal-free and economical synthesis of arylcyclobutenals","Green Chemistry","2020","22","4","1220","1228","10.1039/C9GC04184B","","x-ray","1.54178","CuKα","","0.1053","0.0689","","","0.2056","0.2602","","","","","","1.039","","","","has coordinates","257586","2020-10-21","18:00:00",""
"7239751","6.2629","0.0011","18.353","0.003","22.063","0.005","90","","92.471","0.007","90","","2533.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 S Se -","- C30 H25 N O2 S Se -","- C120 H100 N4 O8 S4 Se4 -","4","1","","Dutta, Shubham; Prabagar, B.; Vanjari, Rajeshwer; Gandon, Vincent; Sahoo, Akhila K.","An unconventional sulfur-to-selenium-to-carbon radical transfer: chemo-and regioselective cyclization of yne-ynamides","Green Chemistry","2020","22","4","1113","1118","10.1039/C9GC03745D","","","0.71073","MoKα","","0.0794","0.0523","","","0.1495","0.1677","","","","","","0.909","","","","has coordinates,has disorder","257585","2020-10-21","18:00:00",""
"7239752","9.6267","0.0007","5.2704","0.0002","13.829","0.0017","90","","109.943","0.011","90","","659.56","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","1","0.5","","Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.","Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities","CrystEngComm","2020","22","5","986","997","10.1039/C9CE01333D","","x-ray","1.54184","CuKα","","0.0829","0.0687","","","0.1864","0.2039","","","","","","1.025","","","","has coordinates,has disorder","257450","2020-10-21","18:00:00",""
"7239753","20.5773","0.0013","7.6357","0.0005","20.5774","0.0006","90","","94.06","0.01","90","","3225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cd2 N4 O8 -","- C42 H28 Cd2 N4 O8 -","- C168 H112 Cd8 N16 O32 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0213","0.0211","","","0.0565","0.0566","","","","","","1.027","","","","has coordinates,has disorder","257479","2020-10-21","18:00:00",""
"7239754","15.5031","0.0009","10.5717","0.0006","18.4527","0.0011","90","","107.028","0.001","90","","2891.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd N4 O4 -","- C32 H26 Cd N4 O4 -","- C128 H104 Cd4 N16 O16 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0335","0.0267","","","0.0887","0.0996","","","","","","1.079","","","","has coordinates","257479","2020-10-21","18:00:00",""
"7239755","3.6422","0.0009","21.241","0.004","15.081","0.003","90","","95.902","0.008","90","","1160.5","0.4","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N12 O2 -","- C6 H12 N12 O2 -","- C24 H48 N48 O8 -","4","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.1461","0.0918","","","0.2307","0.2745","","","","","","1.039","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239756","14.685","0.01","7.065","0.005","8.601","0.006","90","","93.627","0.015","90","","890.6","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N10 O2 -","- C4 H7 N10 O2 -","- C16 H28 N40 O8 -","4","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.0954","0.0744","","","0.1648","0.1776","","","","","","1.062","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239757","6.849","0.0011","11.5108","0.0019","22.982","0.004","90","","90","","90","","1811.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H9 N7 O5 -","- C3 H9 N7 O5 -","- C24 H72 N56 O40 -","8","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.0471","0.0436","","","0.1115","0.1148","","","","","","1.126","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239758","6.8147","0.0006","14.324","0.0011","10.2906","0.0008","90","","103.859","0.003","90","","975.26","0.14","173","2","173","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H14 N20 O5 -","- C9 H14 N20 O5 -","- C18 H28 N40 O10 -","2","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.1157","0.0695","","","0.1495","0.1771","","","","","","1.023","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239759","9.588","0.0012","9.1464","0.0013","15.181","0.003","90","","95.161","0.013","90","","1325.9","0.4","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C10H16N)2MnBr4","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Fu, Hanmei; Jiang, Chunli; Lao, Jie; Luo, Chunhua; Lin, Hechun; Peng, Hui; Duan, Chun-Gang","An organic‒inorganic hybrid ferroelectric with strong luminescence and high Curie temperature","CrystEngComm","2020","22","8","1436","1441","10.1039/C9CE01888C","","","1.54178","CuKα","","0.041","0.0391","","","0.1128","0.1154","","","","","","1.048","","","","has coordinates","257440","2020-10-21","18:00:00",""
"7239760","9.471","0.01","13.021","0.006","19.887","0.006","77.83","0.02","81.76","0.04","87.25","0.03","2372","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 F2 N8 O0.2 -","- C58 H54 F2 N8 O0.2 -","- C116 H108 F4 N16 O0.4 -","2","1","","Guillon, Jean; Nim, Shweta; Moreau, Stéphane; Ronga, Luisa; Savrimoutou, Solène; Thivet, Elisabeth; Marchivie, Mathieu; Di Pietro, Attilio; Prasad, Rajendra; Le Borgne, Marc","Synthesis of new piperazinyl-pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of Candida albicans multidrug transporters by a Buchwald‒Hartwig cross-coupling reaction","RSC Advances","2020","10","5","2915","2931","10.1039/C9RA09348F","","","1.5418","CuKα","","0.146","0.0944","","","0.2133","0.2411","","","","","","1.06","","","","has coordinates","258022","2020-10-21","18:00:00",""
"7239761","9.5233","0.0014","10.8011","0.0019","11.8823","0.0016","107.688","0.011","110.089","0.01","100.552","0.011","1035.6","0.3","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 N4 -","- C27 H24 N4 -","- C54 H48 N8 -","2","1","","Guillon, Jean; Nim, Shweta; Moreau, Stéphane; Ronga, Luisa; Savrimoutou, Solène; Thivet, Elisabeth; Marchivie, Mathieu; Di Pietro, Attilio; Prasad, Rajendra; Le Borgne, Marc","Synthesis of new piperazinyl-pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of Candida albicans multidrug transporters by a Buchwald‒Hartwig cross-coupling reaction","RSC Advances","2020","10","5","2915","2931","10.1039/C9RA09348F","","","1.5418","CuKα","","0.0697","0.0624","","","0.1657","0.1778","","","","","","1.103","","","","has coordinates","258022","2020-10-21","18:00:00",""
"7239762","8.8377","0.0006","11.5913","0.0009","12.6874","0.0011","68.122","0.008","86.872","0.007","80.728","0.006","1190.32","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl I N5 Pd -","- C24 H25 Cl I N5 Pd -","- C48 H50 Cl2 I2 N10 Pd2 -","2","1","","Mikherdov, Alexander S.; Katkova, Svetlana A.; Novikov, Alexander S.; Efremova, Mariia M.; Reutskaya, Elena Yu.; Kinzhalov, Mikhail A.","(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies","CrystEngComm","2020","22","7","1154","1159","10.1039/C9CE01741K","","","0.71073","MoKα","","0.045","0.0322","","","0.063","0.0696","","","","","","1.035","","","","has coordinates","257478","2020-10-21","18:00:00",""
"7239763","8.4738","0.0002","24.4748","0.0006","11.8708","0.0003","90","","91.051","0.001","90","","2461.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl O4 -","- C27 H25 Cl O4 -","- C108 H100 Cl4 O16 -","4","1","","Zhang, Zhipeng; Yu, Yang; Huang, Fei; Yi, Xiangyan; Xu, Yao; He, Yide; Baell, Jonathan B.; Huang, He","Catalytic O‒H bond insertion reactions using surface modified sewage sludge as a catalyst","Green Chemistry","2020","22","5","1594","1604","10.1039/C9GC03428E","","","0.71073","MoKα","","0.09","0.0684","","","0.1953","0.2209","","","","","","1.046","","","","has coordinates,has disorder","257583","2020-10-21","18:00:00",""
"7239764","15.0906","0.0005","7.9886","0.0002","15.7975","0.0005","90","","95.544","0.001","90","","1895.52","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","1","","Zhang, Zhipeng; Yu, Yang; Huang, Fei; Yi, Xiangyan; Xu, Yao; He, Yide; Baell, Jonathan B.; Huang, He","Catalytic O‒H bond insertion reactions using surface modified sewage sludge as a catalyst","Green Chemistry","2020","22","5","1594","1604","10.1039/C9GC03428E","","","0.71073","MoKα","","0.0531","0.0421","","","0.1089","0.1192","","","","","","1.013","","","","has coordinates","257583","2020-10-21","18:00:00",""
"7239765","20.4048","0.0006","17.4839","0.0006","18.8696","0.0006","90","","93.682","0.002","90","","6717.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 B18 Co S10 -","- C16 H34 B18 Co S10 -","- C128 H272 B144 Co8 S80 -","8","1","","Stogniy, Marina Yu.; Kazheva, Olga N.; Chudak, Denis M.; Shilov, Gennady V.; Filippov, Oleg A.; Sivaev, Igor B.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Buravov, Lev I.; Bregadze, Vladimir I.; Dyachenko, Oleg A.","Synthesis and study of C-substituted methylthio derivatives of cobalt bis(dicarbollide)","RSC Advances","2020","10","5","2887","2896","10.1039/C9RA08551C","","","0.71073","MoKα","","0.0525","0.0367","","","0.0832","0.0924","","","","","","1.041","","","","has coordinates","258024","2020-10-21","18:00:00",""
"7239766","11.5375","0.0016","14.0705","0.0006","14.9602","0.001","90.864","0.004","106.952","0.011","93.424","0.008","2317.6","0.4","292.5","0.5","292.5","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","1","0.5","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","x-ray","1.54184","CuKα","","0.1147","0.0908","","","0.242","0.284","","","","","","1.023","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239767","11.372","0.004","13.957","0.005","11.331","0.004","90","","95.083","0.013","90","","1791.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Ho N O9 -","- C15 H10 Ho N O9 -","- C60 H40 Ho4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0761","0.0423","","","0.0892","0.0989","","","","","","1.067","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239768","11.3968","0.0005","14.0119","0.0006","11.3978","0.0005","90","","95.65","","90","","1811.28","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N O9 Tb -","- C15 H10 N O9 Tb -","- C60 H40 N4 O36 Tb4 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0587","0.0346","","","0.0805","0.089","","","","","","1.071","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239769","11.3313","0.0008","13.9527","0.0009","11.2894","0.0008","90","","95.06","0.002","90","","1777.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Er N O9 -","- C15 H10 Er N O9 -","- C60 H40 Er4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0865","0.0433","","","0.0841","0.0959","","","","","","1.02","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239770","11.3894","0.0011","13.9859","0.0015","11.3879","0.0011","90","","95.636","0.003","90","","1805.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Dy N O9 -","- C15 H10 Dy N O9 -","- C60 H40 Dy4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.051","0.0308","","","0.0777","0.0845","","","","","","1.086","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239771","11.531","0.001","14.1029","0.0012","15.0556","0.0012","90.64","0.004","104.331","0.005","93.532","0.004","2366.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H24 Gd2 N3.5 O16 -","- C45.5 H24 Gd2 N3.5 O16 -","- C91 H48 Gd4 N7 O32 -","2","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","1.54178","CuKα","","0.1045","0.0721","","","0.1454","0.163","","","","","","1.066","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239772","16.1109","0.0005","19.4781","0.0006","15.7553","0.0005","90","","90","","90","","4944.2","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C51 H50 Cu2 N4 O15 -","- C51 H50 Cu2 N4 O15 -","- C204 H200 Cu8 N16 O60 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0708","0.0506","","","0.1461","0.1732","","","","","","1.023","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239773","15.773","0.003","15.649","0.003","12.824","0.003","90","","109.34","0.03","90","","2986.7","1.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Cu N2 O10 -","- C25 H26 Cu N2 O10 -","- C100 H104 Cu4 N8 O40 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0741","0.0654","","","0.1944","0.2002","","","","","","1.072","","","","has coordinates,has disorder","247041","2020-10-21","18:00:00",""
"7239774","13.224","0.003","14.236","0.003","12.886","0.003","90","","103.52","0.03","90","","2358.7","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N2 O5 S -","- C26 H22 Cu N2 O5 S -","- C104 H88 Cu4 N8 O20 S4 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0804","0.0642","","","0.1673","0.1776","","","","","","1.082","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239775","9.4217","0.0005","10.3198","0.0006","13.0913","0.0006","67.835","0.005","71.685","0.005","86.556","0.005","1116.61","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","Fc Trip","","- C30 H24 Fe -","- C30 H24 Fe -","- C60 H48 Fe2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.0733","0.0538","","","0.1391","0.1533","","","","","","1.028","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239776","13.332","0.0015","13.4018","0.0012","16.138","0.002","95.029","0.009","105.145","0.011","119.521","0.01","2340.2","0.6","298","","298","","","","","","","","","3","P -1","-P 1","2","","FCC2trip","","- C64 H46 Fe2 -","- C64 H46 Fe2 -","- C128 H92 Fe4 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","","0.71073","MoKα","","0.2107","0.0914","","","0.1986","0.2736","","","","","","1.021","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239777","8.9336","0.0001","8.4105","0.0001","28.5683","0.0004","90","","93.582","0.001","90","","2142.32","0.05","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cocrystal 4","","- C60 H46 Fe2 -","- C60 H46 Fe2 -","- C120 H92 Fe4 -","2","0.5","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.0497","0.0438","","","0.1287","0.1397","","","","","","1.042","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239778","9.6767","0.0012","10.3972","0.0012","12.9455","0.0015","70.641","0.01","71.847","0.011","89.794","0.01","1160.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TripFccho","","- C31 H24 Fe O -","- C31 H24 Fe O -","- C62 H48 Fe2 O2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.2121","0.1203","","","0.3157","0.3924","","","","","","0.961","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239779","7.95","0.0004","28.507","0.002","15.5007","0.0008","90","","104.262","0.005","90","","3404.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TripPCPfc","","- C48 H38 Fe -","- C48 H38 Fe -","- C192 H152 Fe4 -","4","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.1747","0.1158","","","0.3075","0.3614","","","","","","1.027","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239780","11.324","0.0009","12.502","0.004","14.398","0.004","90","","90","","90","","2038.4","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0457","0.0321","","","0.0551","0.0588","","","","","","1.015","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239781","11.6797","0.0013","12.746","0.002","16.331","0.002","90","","100.554","0.01","90","","2390.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl5 Hg N2 O4 -","- C19 H19 Cl5 Hg N2 O4 -","- C76 H76 Cl20 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.1137","0.0477","","","0.0862","0.1085","","","","","","0.823","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239782","11.321","0.007","12.502","0.006","14.4","0.02","90","","90","","90","","2038","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0361","0.0287","","","0.0511","0.0532","","","","","","1.024","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239783","18.3123","0.0007","18.3932","0.0006","5.8857","0.0003","90","","90","","90","","1982.43","0.14","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0846","0.0614","","","0.1397","0.1454","","","","","","1.22","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239784","7.594","0.0014","8.5623","0.0016","13.088","0.003","97.266","0.003","95.849","0.003","95.577","0.003","834.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Mn N3 O5 -","- C12 H10 Mn N3 O5 -","- C24 H20 Mn2 N6 O10 -","2","1","","Léval, Alexander; Agapova, Anastasiya; Steinlechner, Christoph; Alberico, Elisabetta; Junge, Henrik; Beller, Matthias","Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights","Green Chemistry","2020","22","3","913","920","10.1039/C9GC02453K","","","0.71073","MoKα","","0.0384","0.0346","","","0.1035","0.1074","","","","","","1.066","","","","has coordinates","257627","2020-10-21","18:00:00",""
"7239785","7.9845","0.0013","12.118","0.002","14.112","0.002","90","","100.181","0.003","90","","1343.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br Mn N3 O3 -","- C11 H9 Br Mn N3 O3 -","- C44 H36 Br4 Mn4 N12 O12 -","4","1","","Léval, Alexander; Agapova, Anastasiya; Steinlechner, Christoph; Alberico, Elisabetta; Junge, Henrik; Beller, Matthias","Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights","Green Chemistry","2020","22","3","913","920","10.1039/C9GC02453K","","","0.71073","MoKα","","0.0239","0.0201","","","0.0507","0.0525","","","","","","1.049","","","","has coordinates","257627","2020-10-21","18:00:00",""
"7239786","28.1541","0.0009","7.891","0.0003","17.6912","0.0006","90","","106.211","0.001","90","","3774.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 Pt -","- C24 H18 N4 Pt -","- C192 H144 N32 Pt8 -","8","2","","Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.","On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.","Physical chemistry chemical physics : PCCP","2020","22","6","3217","3233","10.1039/c9cp05603c","","","1.54178","CuKα","","0.0525","0.0474","","","0.0982","0.1005","","","","","","1.203","","","","has coordinates","249053","2020-10-21","18:00:00",""
"7239787","12.6868","0.0004","18.9392","0.0006","9.8058","0.0003","90","","108.94","0.001","90","","2228.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 N4 Pd -","- C25 H20 Cl2 N4 Pd -","- C100 H80 Cl8 N16 Pd4 -","4","1","","Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.","On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.","Physical chemistry chemical physics : PCCP","2020","22","6","3217","3233","10.1039/c9cp05603c","","","1.54178","CuKα","","0.0348","0.0345","","","0.0932","0.0935","","","","","","1.117","","","","has coordinates","249053","2020-10-21","18:00:00",""
"7239788","9.5858","0.0003","18.8852","0.0006","10.9389","0.0004","90","","115.184","0.001","90","","1792.03","0.1","100","2","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 F6 N16 O10 -","- C26 H38 F6 N16 O10 -","- C52 H76 F12 N32 O20 -","2","0.5","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0631","0.0473","","","0.1096","0.1179","","","","","","1.017","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239789","24.515","0.01","8.492","0.004","25.298","0.01","90","","119.248","0.012","90","","4595","3","100","2","100.13","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H27 F3 N8 O6 -","- C16 H27 F3 N8 O6 -","- C128 H216 F24 N64 O48 -","8","2","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.068","0.0536","","","0.1309","0.1421","","","","","","1.049","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239790","21.754","0.003","13.7241","0.0016","15.904","0.002","90","","100.156","0.003","90","","4673.8","1","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 F3 N8 O6 -","- C14 H23 F3 N8 O6 -","- C112 H184 F24 N64 O48 -","8","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0987","0.0841","","","0.223","0.2405","","","","","","1.029","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239791","8.3279","0.0004","15.8912","0.0009","16.9567","0.0009","98.047","0.002","96.401","0.002","98.061","0.002","2180.2","0.2","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H54 F6 N16 O11 -","- C33 H54 F6 N16 O11 -","- C66 H108 F12 N32 O22 -","2","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.093","0.0822","","","0.2209","0.2303","","","","","","1.079","","","","has coordinates,has disorder","258056","2020-10-21","18:00:00",""
"7239792","10.022","0.0003","13.0296","0.0004","18.2777","0.0005","102.894","0.001","95.754","0.001","103.889","0.001","2228.51","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 F6 N16 O11 -","- C34 H56 F6 N16 O11 -","- C68 H112 F12 N32 O22 -","2","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0945","0.0793","","","0.2154","0.2318","","","","","","1.034","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239793","11.9118","0.0006","11.9118","0.0006","10.959","0.0007","90","","90","","120","","1346.65","0.13","294","","294","1","","","","","","","","3","P 63/m c m","-P 6c 2","193","1,3-Adamantanediol","","","- C10 H16 O2 -","- C10 H16 O2 -","- C60 H96 O12 -","6","0.25","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247068","2020-10-21","18:00:00",""
"7239794","14.9792","0.0009","9.7677","0.0006","7.2734","0.0005","90","","90","","90","","1064.19","0.12","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","1,3-dibromoAdamantane","","","- C10 H14 Br2 -","- C10 H14 Br2 -","- C40 H56 Br8 -","4","0.5","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247069","2020-10-21","18:00:00",""
"7239795","7.7576","0.0018","12.0856","0.0002","11.7068","0.0019","90","","112.271","0.012","90","","1015.7","0.3","120","1","120","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-dimethyAdamantane","","","- C12 H20 -","- C12 H20 -","- C48 H80 -","4","1","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247070","2020-10-21","18:00:00",""
"7239796","5.6","0.0005","7.2286","0.0006","8.4078","0.0008","109.17","0.008","93.81","0.007","103.285","0.007","309.12","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","","Widelicka, Małgorzata; Ławniczak, Paweł; Pietraszko, Adam; Pogorzelec-Glaser, Katarzyna; Łapiński, Andrzej","Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers","CrystEngComm","2020","22","11","2031","2041","10.1039/C9CE01397K","","","0.71073","MoKα","","0.0828","0.0465","","","0.1068","0.1261","","","","","","1.112","","","","has coordinates","257486","2020-10-21","18:00:00",""
"7239797","5.7832","0.0005","7.7601","0.0007","12.0835","0.0011","77.499","0.002","78.664","0.002","73.377","0.002","502.02","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","1","0.5","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.0389","0.0269","","","0.0599","0.0619","","","","","","1.01","","","","has coordinates","249055","2020-10-21","18:00:00",""
"7239798","5.7217","0.0007","14.197","0.002","25.666","0.003","90","","92.162","0.005","90","","2083.4","0.5","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","- C88 H72 N16 Se8 -","4","0.5","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.092","0.0467","","","0.1116","0.1266","","","","","","1.035","","","","has coordinates,has disorder","249055","2020-10-21","18:00:00",""
"7239799","6.031","0.004","16.042","0.011","8.787","0.007","90","","95.82","0.02","90","","845.8","1.1","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N Te -","- C8 H7 N Te -","- C32 H28 N4 Te4 -","4","1","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.0241","0.019","","","0.041","0.0424","","","","","","1.158","","","","has coordinates,has disorder","249055","2020-10-21","18:00:00",""
"7239800","18.7428","0.0008","18.7428","0.0008","24.915","0.002","90","","90","","120","","7579.8","0.8","173","2","173.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C46 H55 N10 O15 Zn2 -","- C16 H10 O10 Zn2 -","- C144 H90 O90 Zn18 -","9","0.25","","Li, Qipeng; Qian, Jinjie; Du, Lin; Zhao, Qihua","Zinc-tetracarboxylate framework material with nano-cages and one-dimensional channels for excellent selective and effective adsorption of methyl blue dye","RSC Advances","2020","10","6","3539","3543","10.1039/C9RA08983G","","","0.71073","MoKα","","0.0359","0.0352","","","0.0873","0.0878","","","","","","1.062","","","","has coordinates","258052","2020-10-21","18:00:00",""
"7239801","28.128","0.004","15.312","0.002","14.6773","0.0019","90","","110.18","0.004","90","","5933.4","1.4","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H52 N2 Si3 -","- C25 H52 N2 Si3 -","- C200 H416 N16 Si24 -","8","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.1445","0.1217","","","0.2651","0.278","","","","","","1.172","","","","has coordinates,has disorder","258055","2020-10-21","18:00:00",""
"7239802","20.678","0.007","12.877","0.005","17.566","0.01","90","","120.067","0.01","90","","4048","3","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 K Si3 -","- C38 H70 K Si3 -","- C152 H280 K4 Si12 -","4","0.5","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0341","0.0305","","","0.0855","0.0886","","","","","","1.04","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239803","11.977","0.0013","16.9418","0.0017","28.631","0.003","90","","90","","90","","5809.6","1.1","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C25 H52 N2 Si3 -","- C25 H52 N2 Si3 -","- C200 H416 N16 Si24 -","8","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0334","0.0289","","","0.0771","0.0802","","","","","","1.045","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239804","11.515","0.009","11.94","0.009","16.1","0.007","97.728","0.017","92.844","0.018","104.175","0.019","2119","2","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C31 H73 N3 Si7 -","- C31 H73 N3 Si7 -","- C62 H146 N6 Si14 -","2","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0439","0.0402","","","0.0992","0.1016","","","","","","1.123","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239805","14.2747","0.0019","6.4197","0.0009","14.897","0.002","90","","105.303","0.009","90","","1316.7","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0866","0.0683","","","0.1556","0.1718","","","","","","1.061","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239806","8.0649","0.0006","11.3973","0.0008","32.416","0.002","90","","90","","90","","2979.6","0.4","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O9 -","- C30 H50 O9 -","- C120 H200 O36 -","4","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.1371","0.0949","","","0.2521","0.2937","","","","","","1.031","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239807","13.9664","0.0004","6.5552","0.0002","15.1284","0.0005","90","","104.366","0.002","90","","1341.73","0.07","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0595","0.0534","","","0.1558","0.1613","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239808","30.922","0.0006","13.9294","0.0003","14.7361","0.0003","90","","107.917","0.001","90","","6039.4","0.2","170","2","169.98","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C31 H52 O7 -","- C31 H52 O7 -","- C248 H416 O56 -","8","2","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0955","0.0875","","","0.2556","0.2669","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239809","18.0826","0.0012","13.3216","0.0009","21.9623","0.0015","90","","90","","90","","5290.5","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H39 La2 N9 O15 -","- C45 H39 La2 N9 O15 -","- C180 H156 La8 N36 O60 -","4","1","","Tshuma, Piwai; Makhubela, Banothile C. E.; Öhrström, Lars; Bourne, Susan A.; Chatterjee, Nabanita; Beas, Isaac N.; Darkwa, James; Mehlana, Gift","Cyclometalation of lanthanum(iii) based MOF for catalytic hydrogenation of carbon dioxide to formate","RSC Advances","2020","10","6","3593","3605","10.1039/C9RA09938G","","","0.71073","MoKα","","0.081","0.0542","","","0.1371","0.1532","","","","","","1.035","","","","has coordinates,has disorder","258053","2020-10-21","18:00:00",""
"7239810","24.322","0.003","24.322","0.003","21.069","0.003","90","","90","","120","","10794","2","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H102 Cu6 N32 O24 -","- C168 H102 Cu6 N31.44 O24.78 -","- C504 H306 Cu18 N94.32 O74.34 -","3","0.166667","","Hossain, Sayed Muktar; Prakash, Ved; Mamidi, Prabhudutta; Chattopadhyay, Soma; Singh, Akhilesh Kumar","Pyrene-appended bipyridine hydrazone ligand as a turn-on sensor for Cu2+ and its bioimaging application","RSC Advances","2020","10","7","3646","3658","10.1039/C9RA09376A","","","1.54178","CuKα","","0.1435","0.076","","","0.1951","0.2487","","","","","","1.013","","","","has coordinates,has disorder","258091","2020-10-21","18:00:00",""
"7239811","9.1672","0.0004","9.2117","0.0005","14.89","0.0008","86.026","0.003","72.591","0.002","65.538","0.002","1089.94","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O2 S -","- C22 H24 N6 O2 S -","- C44 H48 N12 O4 S2 -","2","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0538","0.0419","","","0.1295","0.156","","","","","","1.097","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239812","9.5404","0.0007","13.9656","0.0009","18.1238","0.0012","90","","102.142","0.003","90","","2360.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C96 H104 N16 O20 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0732","0.0463","","","0.1163","0.1318","","","","","","1.047","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239813","11.973","0.0005","18.2134","0.0007","11.9964","0.0004","90","","96.699","0.002","90","","2598.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O7 S -","- C24 H30 N4 O7 S -","- C96 H120 N16 O28 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0895","0.0618","","","0.1489","0.1613","","","","","","1.208","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239814","9.9166","0.001","13.3673","0.0014","23.035","0.002","90","","97.163","0.005","90","","3029.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O9 S -","- C28 H32 N4 O9 S -","- C112 H128 N16 O36 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.1234","0.0781","","","0.2347","0.2804","","","","","","1.038","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239815","18.805","0.005","15.975","0.004","27.184","0.006","90","0.02","92.65","0.02","90","0.02","8158","3","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate ethanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate ethanol solvate","","- C74 H114 N12 O20 -","- C74 H114 N12 O20 -","- C296 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2689","0.1475","","","0.3586","0.4628","","","","","","1.159","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239816","14.445","0.005","17.013","0.0019","15.845","0.004","90","","108.81","0.04","90","","3686","1.9","293","2","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium hydrogentrinitrophloroglucinolate tetrahydrofurane solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) tetrahydrofurane solvate","","- C34 H53 N5 O11 -","- C34 H53 N5 O11 -","- C136 H212 N20 O44 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3257","0.1303","","","0.2939","0.3522","","","","","","1.365","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239817","14.4004","0.0012","16.1041","0.0009","18.7528","0.001","90","","105.42","0.007","90","","4192.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate","","- C36 H54 N6 O11 -","- C36 H54 N6 O11 -","- C144 H216 N24 O44 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2051","0.1146","","","0.3129","0.3805","","","","","","1.046","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239818","18.9589","0.0006","16.0224","0.0007","26.5928","0.0013","90","","93.164","0.004","90","","8065.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C73 H114 N12 O20 -","- C73 H114 N12 O20 -","- C292 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2384","0.1103","","","0.2936","0.3772","","","","","","0.971","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239819","11.1478","0.0003","22.3581","0.0008","29.9866","0.0012","90","","90","","90","","7474","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium dihydrogentrinitrophloroglucinolate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C16 H20 N4 O9 -","- C16 H20 N4 O9 -","- C256 H320 N64 O144 -","16","2","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0963","0.0648","","","0.1527","0.1699","","","","","","1.044","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239820","18.37","0.003","16.06","0.002","27.34","0.003","90","","90","","90","","8065.9","1.9","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate bis(2,2,2-trifluoroethanol) solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) bis(2,2,2-trifluoroethanol) solvate","","- C76 H114 F6 N12 O20 -","- C76 H114 F6 N12 O19.9998 -","- C304 H456 F24 N48 O79.9992 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3572","0.1129","","","0.2217","0.3249","","","","","","0.909","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239821","11.5708","0.0006","14.8651","0.0009","17.1263","0.0008","101.65","0.004","108.206","0.005","107.592","0.005","2520.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 N6 O14 S3 -","- C42 H76 N6 O14 S3 -","- C84 H152 N12 O28 S6 -","2","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.1231","0.0817","","","0.1982","0.2257","","","","","","1.022","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239822","16.1105","0.0014","26.198","0.003","35.156","0.005","90","","90","","90","","14838","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium hydrogentrinitrophloroglucinolate trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium 5-hydroxy-2,4,6-trinitrobenzene-1,3-bis(olate) trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C66 H106 N11 O23 -","- C66 H106 N11 O23 -","- C528 H848 N88 O184 -","8","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.4225","0.1872","","","0.2621","0.3583","","","","","","1.024","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239823","12.7841","0.0009","6.8465","0.0004","21.4945","0.0014","90","","105.996","0.007","90","","1808.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C64 H88 N16 O32 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.151","0.0862","","","0.1759","0.2078","","","","","","1.057","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239824","18.4656","0.0011","16.0811","0.0011","27.4522","0.0018","90","","90","","90","","8151.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate propan-1-ol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) propan-1-ol solvate","","- C78 H124 N12 O20 -","- C78 H124 N12 O20 -","- C312 H496 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2896","0.0902","","","0.1471","0.2101","","","","","","0.929","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239825","14.2574","0.0009","17.0725","0.0007","15.864","0.0009","90","","113.279","0.007","90","","3547.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C30 H49 N5 O10 S2 -","- C30 H49 N5 O10 S2 -","- C120 H196 N20 O40 S8 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.081","0.0592","","","0.1481","0.1622","","","","","","1.041","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239826","17.5039","0.0007","18.8674","0.0006","20.3861","0.0007","90","","103.005","0.004","90","","6559.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium hidrohentrinitrophloroglucinolate 2,2,2-trifluoroethanol solvate","adamantan-1-aminium 5-hydroxytrinitrobenzene-1,3-bis(olate) 2,2,2-trifluoroethanol solvate","","- C56 H78 F6 N10 O20 -","- C56 H78 F6 N10 O20 -","- C224 H312 F24 N40 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.175","0.1245","","","0.3587","0.3987","","","","","","1.405","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239827","10.2615","0.0007","17.7734","0.001","8.8411","0.0007","90","","113.363","0.008","90","","1480.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl-1-aminium trinitrophloroglucinolate","methyl-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C36 H72 N24 O36 -","6","1.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0594","0.0443","","","0.1133","0.1227","","","","","","1.035","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239828","21.8759","0.0013","16.7522","0.0008","15.7197","0.001","90","","110.086","0.007","90","","5410.4","0.6","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tertbutylaminium trinitrophloroglucinolate hydrate methanol solvate","2-methylpropyl-2-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C37 H82 N12 O22 -","- C37 H82 N12 O22 -","- C148 H328 N48 O88 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2168","0.1141","","","0.1863","0.2264","","","","","","1.089","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239829","8.5713","0.0006","31.375","0.002","11.2567","0.0008","90","","105.525","0.002","90","","2916.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C120 H172 N4 O32 -","4","2","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.34139","GaKα","","0.0379","0.0354","","","0.0909","0.0931","","","","","","1.013","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239830","10.8304","0.0003","15.9589","0.0004","21.2922","0.0005","90","","90","","90","","3680.17","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N3 O9 -","- C36 H47 N3 O9 -","- C144 H188 N12 O36 -","4","1","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.54178","CuKα","","0.0441","0.0434","","","0.1158","0.1166","","","","","","1.062","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239831","4.7849","0.0005","5.3125","0.0005","17.3017","0.0015","83.212","0.008","87.407","0.007","85.031","0.008","434.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","1","1","","Mattsson, Ida; Sitdikov, Ruzal; Gunell, Andreas C. M.; Lahtinen, Manu; Saloranta-Simell, Tiina; Leino, Reko","Improved synthesis and application of conjugation-amenable polyols from d-mannose","RSC Advances","2020","10","7","3960","3966","10.1039/C9RA10378C","","x-ray","1.54184","CuKα","","0.0437","0.0365","","","0.0882","0.0922","","","","","","1.055","","","","has coordinates,has disorder","258092","2020-10-21","18:00:00",""
"7239832","9.7503","0.0005","18.6569","0.0011","19.6036","0.0011","65.086","0.002","76.413","0.002","80.311","0.002","3134","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","N,N-diphenyl-4""-(1-phenyl-1H-benzo[d]imidazole-2-yl)-[1,1':3',1""-terphenyl]-4-amine","","- C1.87 H1.35 N0.13 -","- C1.86957 H1.34783 N0.130435 -","- C172 H124 N12 -","92","46","","Kim, Min-Ji; Ahn, Mina; Shim, Jun Ho; Wee, Kyung-Ryang","Terphenyl backbone-based donor-π-acceptor dyads: geometric isomer effects on intramolecular charge transfer.","Physical chemistry chemical physics : PCCP","2020","22","6","3370","3378","10.1039/c9cp06466d","","","0.71073","MoKα","","0.1211","0.052","","","0.1122","0.1573","","","","","","1.052","","","","has coordinates","249054","2020-10-21","18:00:00",""
"7239833","11.5837","0.0012","11.636","0.001","14.9736","0.0015","84.127","0.008","69.621","0.009","81.635","0.008","1868.9","0.3","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N2 S4 Sn2 -","- C34 H46 N2 S4 Sn2 -","- C68 H92 N4 S8 Sn4 -","2","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.1152","0.0765","","","0.1717","0.2054","","","","","","1.066","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239834","12.7459","0.0003","10.8694","0.0002","18.1443","0.0004","90","","90","","90","","2513.72","0.09","150","2","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 S4 Sn2 -","- C22 H22 N2 S4 Sn2 -","- C88 H88 N8 S16 Sn8 -","4","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.034","0.031","","","0.0745","0.0761","","","","","","1.09","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239835","8.6772","0.0008","9.0145","0.0009","9.9691","0.0009","110.22","0.004","107.146","0.003","97.596","0.002","674.97","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F N2 S -","- C15 H13 F N2 S -","- C30 H26 F2 N4 S2 -","2","1","","Wen, Jiangwei; Niu, Cong; Yan, Kelu; Cheng, Xingda; Gong, Ruike; Li, Mengqian; Guo, Yongqiang; Yang, Jianjing; Wang, Hua","Electrochemical-induced regioselective C-3 thiomethylation of imidazopyridines via a three-component cross-coupling strategy","Green Chemistry","2020","22","4","1129","1133","10.1039/C9GC04068D","","","0.71073","MoKα","","0.0578","0.0427","","","0.1159","0.1272","","","","","","1.06","","","","has coordinates","257587","2020-10-21","18:00:00",""
"7239836","8.3178","0.0002","8.9144","0.0002","8.987","0.0003","64.183","0.003","86.148","0.002","78.931","0.002","588.6","0.03","299.6","0.3","299.6","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 N2 O7 P2 Zn -","- C6 H16 N2 O7 P2 Zn -","- C12 H32 N4 O14 P4 Zn2 -","2","1","","Zhou, Shufang; wu, guomei; Lin, Tian; Zhang, Chenxi; Wang, Qing-Lun","A dual-function metal phosphate for high proton conduction and selective luminescence turn-on sensing of Co2+ ions","CrystEngComm","2020","","","","","10.1039/C9CE02031D","","x-ray","1.54184","CuKα","","0.0326","0.0304","","","0.0841","0.0853","","","","","","1.104","","","","has coordinates","247330","2020-10-21","18:00:00",""
"7239837","11.2742","0.0003","15.1845","0.0005","21.7739","0.0008","90","","96.828","0.003","90","","3701.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Dy2 N7 O14 -","- C33 H35 Dy2 N7 O14 -","- C132 H140 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.0731","0.0496","","","0.117","0.13","","","","","","1.03","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239838","11.3326","0.0004","15.5518","0.0006","21.8107","0.0008","90","","97.484","0.003","90","","3811.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Dy2 N7 O14 -","- C34 H37 Dy2 N7 O14 -","- C136 H148 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.079","0.0622","","","0.1563","0.1851","","","","","","1.059","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239839","7.4833","0.0002","8.152","0.0002","16.1344","0.0004","98.002","0.001","91.532","0.001","102.448","0.001","950.12","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0482","0.036","","","0.0864","0.0921","","","","","","1.035","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239840","7.9356","0.0009","10.3848","0.0012","13.1949","0.0015","108.741","0.003","93.495","0.003","109.913","0.003","950.27","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0524","0.0409","","","0.109","0.1158","","","","","","1.041","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239841","12.3517","0.0016","8.3507","0.0011","18.174","0.002","90","","98.788","0.004","90","","1852.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C72 H80 N24 O12 S4 -","4","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.1406","0.075","","","0.1519","0.1753","","","","","","1.062","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239842","14.4922","0.0003","14.2458","0.0002","15.9319","0.0003","90","","91.96","0.001","90","","3287.26","0.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 B F2 N2 O -","- C19 H19 B F2 N2 O -","- C152 H152 B8 F16 N16 O8 -","8","2","","Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin","Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.","Physical chemistry chemical physics : PCCP","2020","22","7","4072","4079","10.1039/d0cp00232a","","","0.71073","MoKα","","0.0944","0.06","","","0.1089","0.1222","","","","","","1.094","","","","has coordinates","249056","2020-10-21","18:00:00",""
"7239843","21.8579","0.0004","10.5698","0.0002","18.2672","0.0004","90","","112.645","0.001","90","","3894.98","0.14","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F2 I2 N2 O -","- C19 H17 B F2 I2 N2 O -","- C152 H136 B8 F16 I16 N16 O8 -","8","2","","Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin","Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.","Physical chemistry chemical physics : PCCP","2020","22","7","4072","4079","10.1039/d0cp00232a","","","0.71073","MoKα","","0.0805","0.0554","","","0.0961","0.1062","","","","","","1.132","","","","has coordinates","249056","2020-10-21","18:00:00",""
"7239844","14.005","0.003","22.005","0.004","23.006","0.005","90","","92.53","0.03","90","","7083","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cd3 N6 O12 -","- C62 H40 Cd3 N6 O12 -","- C248 H160 Cd12 N24 O48 -","4","0.5","","Zhou, Xiaojing; Guo, Xiaolei; Liu, Lili; Zhai, Haidong; Meng, Qingguo; Shi, Zhan; Tai, Xishi","Two d10 luminescent metal‒organic frameworks as dual functional luminescent sensors for (Fe3+,Cu2+) and 2,4,6-trinitrophenol (TNP) with high selectivity and sensitivity","RSC Advances","2020","10","8","4817","4824","10.1039/C9RA07709J","","","0.71073","MoKα","","0.0802","0.0564","","","0.1556","0.1681","","","","","","1.086","","","","has coordinates","258011","2020-10-21","18:00:00",""
"7239845","13.3539","0.0007","13.6334","0.0007","13.6928","0.0007","102.708","0.002","91.104","0.003","116.101","0.002","2164.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 N8 O14 Zn3 -","- C68 H54 N8 O14 Zn3 -","- C68 H54 N8 O14 Zn3 -","1","0.5","","Zhou, Xiaojing; Guo, Xiaolei; Liu, Lili; Zhai, Haidong; Meng, Qingguo; Shi, Zhan; Tai, Xishi","Two d10 luminescent metal‒organic frameworks as dual functional luminescent sensors for (Fe3+,Cu2+) and 2,4,6-trinitrophenol (TNP) with high selectivity and sensitivity","RSC Advances","2020","10","8","4817","4824","10.1039/C9RA07709J","","","0.71073","MoKα","","0.0844","0.0501","","","0.1141","0.1247","","","","","","1.085","","","","has coordinates","258011","2020-10-21","18:00:00",""
"7239846","26.31","0.0005","26.31","0.0005","26.31","0.0005","90","","90","","90","","18212.2","0.6","203","","203","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C359.42 H310.27 Cu48 O192 S44.98 -","- C376.858 H362.573 Cu48 O192 S44.4 -","- C376.858 H362.573 Cu48 O192 S44.4 -","1","0.00520833","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0336","0.032","","","0.1195","0.1203","","","","","","1.298","","","","has coordinates,has disorder","258012","2020-10-21","18:00:00",""
"7239847","26.3518","0.0006","26.3518","0.0006","26.3518","0.0006","90","","90","","90","","18299.1","0.7","203","","203","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0322","0.0284","","","0.0907","0.0948","","","","","","1.079","","","","has coordinates","258012","2020-10-21","18:00:00",""
"7239848","26.2622","0.0002","26.2622","0.0002","26.2622","0.0002","90","","90","","90","","18113.1","0.2","203","","203","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O4 -","- C6 H2 Cu O4 -","- C288 H96 Cu48 O192 -","48","0.25","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0536","0.0538","","","","","","1.106","","","","has coordinates","258012","2020-10-21","18:00:00",""
"7239849","9.3329","0.0013","16.012","0.002","16.212","0.002","107.789","0.005","90.226","0.005","97.585","0.005","2284.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 B2 O20 Tb2 -","- C42 H28 B2 O20 Tb2 -","- C84 H56 B4 O40 Tb4 -","2","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0738","0.0548","","","0.1441","0.1547","","","","","","1.056","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239850","4.5881","0.0013","6.5905","0.0016","29.664","0.008","90","","90","","90","","897","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 B Na O5 -","- C7 H4 B Na O5 -","- C28 H16 B4 Na4 O20 -","4","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0539","0.0487","","","0.1378","0.1404","","","","","","1.022","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239851","18.42","0.004","10.567","0.002","8.8377","0.0018","90","","90","","90","","1720.2","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 Co N10 Na O -","- C12 H12 Co N10 Na O -","- C48 H48 Co4 N40 Na4 O4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0334","0.0288","","","0.0675","0.0694","","","","","","1.131","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239852","13.61","0.02","8.824","0.011","15.27","0.02","90","","111.68","0.02","90","","1704","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Co N10 Rb -","- C12 H10 Co N10 Rb -","- C48 H40 Co4 N40 Rb4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.1071","0.0889","","","0.2648","0.2788","","","","","","1.113","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239853","8.8569","0.0003","8.8569","0.0003","19.0362","0.0009","90","","90","","120","","1293.23","0.09","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co N10 Rb -","- C11.001 Co N6 Rb -","- C33.003 Co3 N18 Rb3 -","3","0.166667","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0784","0.0748","","","0.2396","0.2415","","","","","","1.284","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239854","8.8341","0.0017","8.8341","0.0017","19.308","0.003","90","","90","","120","","1304.9","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co N10 Rb -","- C16.02 Co N6 Rb -","- C48.06 Co3 N18 Rb3 -","3","0.0833333","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.045","0.0421","","","0.1441","0.1481","","","","","","1.254","","","","has coordinates,has disorder","257432","2020-10-21","18:00:00",""
"7239855","9.4607","0.0005","14.1404","0.0008","19.0776","0.0011","90","","99.517","0.001","90","","2517","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Fe N14 O0 S2 -","- C44 H36 Fe N14 S2 -","- C88 H72 Fe2 N28 S4 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.71073","MoKα","","0.1337","0.0741","","","0.1874","0.2275","","","","","","0.989","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239856","18.847","0.004","14.005","0.003","19.343","0.004","90","","98.17","0.03","90","","5053.8","1.9","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Fe N14 O0 Se2 -","- C44 H36 Fe N14 Se2 -","- C176 H144 Fe4 N56 Se8 -","4","1","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.75","synchrotron","","0.1401","0.1113","","","0.3629","0.3839","","","","","","1.368","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239857","9.622","0.0019","14.689","0.003","19.691","0.004","90","","99.73","0.03","90","","2743","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Fe N14 O3 Se2 -","- C46 H44 Fe N14 O3 Se2 -","- C92 H88 Fe2 N28 O6 Se4 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.8","synchrotron","","0.0883","0.0806","","","0.2648","0.2712","","","","","","1.065","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239858","7.8375","0.0003","8.2458","0.0003","14.5394","0.0007","87.176","0.004","74.562","0.004","73.335","0.004","867.31","0.07","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C36 H32 N4 O10 S2 -","2","1","","Fares, Mohamed; McCosker, Patrick M.; Alsherbiny, Muhammad A.; Willis, Anthony C.; Clark, Timothy; Neyts, Johan; Jochmans, Dirk; Keller, Paul A.","Regioselective convergent synthesis of 2-arylidene thiazolo[3,2-a]pyrimidines as potential anti-chikungunya agents","RSC Advances","2020","10","9","5191","5195","10.1039/D0RA00257G","","x-ray","1.54184","CuKα","","0.0349","0.0343","","0.0885","0.0878","0.0885","","","","","","0.9978","","","","has coordinates","258096","2020-10-21","18:00:00",""
"7239859","27.13","0.02","5.227","0.004","15.424","0.012","90","","105.46","0.04","90","","2108","3","293","2","293","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda","Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials","RSC Advances","2020","10","9","5220","5233","10.1039/C9RA10395C","","x-ray","0.71073","MoKα","","0.2754","0.1036","","","0.224","0.3383","","","","","","0.996","","","","has coordinates","258094","2020-10-21","18:00:00",""
"7239860","20.281","0.009","5.226","0.003","22.662","0.01","90","","105.39","0.05","90","","2316","2","293","2","293","2","","","","","","","synthesis","4","I 1 2 1","I 2y","5","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda","Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials","RSC Advances","2020","10","9","5220","5233","10.1039/C9RA10395C","","x-ray","0.71073","MoKα","","0.155","0.0829","","","0.1971","0.2285","","","","","","0.919","","","","has coordinates","258094","2020-10-21","18:00:00",""
"7239861","7.4557","0.0003","12.6096","0.0005","13.7586","0.0003","94.478","0.003","98.662","0.003","101.166","0.003","1246.84","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.8 H7.2 Co0.4 N0.8 O3.2 S0.4 -","- C10.8 H6.4 Co0.4 N0.8 O3.2 S0.4 -","- C54 H32 Co2 N4 O16 S2 -","5","2.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.0534","0.0466","","","0.1213","0.1255","","","","","","1.03","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239862","10.5883","0.0004","12.9921","0.0005","14.4442","0.0005","63.887","0.004","79.26","0.003","79.327","0.003","1740.9","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9.29 H5.71 Co0.43 N0.57 O3 S0.43 -","- C9.28571 H5.28571 Co0.428571 N0.571429 O3 S0.428571 -","- C65 H37 Co3 N4 O21 S3 -","7","3.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1009","0.0915","","","0.2145","0.2196","","","","","","1.096","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239863","10.8048","0.0004","12.8422","0.0007","14.3174","0.0005","65.558","0.004","81.826","0.003","79.139","0.004","1771.62","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8.62 H5 Co0.38 N0.5 O2.62 S0.38 -","- C8.625 H4.125 Co0.375 N0.5 O2.625 S0.375 -","- C69 H33 Co3 N4 O21 S3 -","8","4","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1596","0.1469","","","0.4052","0.4196","","","","","","1.247","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239864","17.876","0.002","27.491","0.002","11.3809","0.001","90","","90","","90","","5592.9","0.9","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C4.17 H2.67 Co0.17 N0.33 O1.17 S0.17 -","- C4.16667 H2 Co0.166667 N0.333333 O1.16667 S0.166667 -","- C100 H48 Co4 N8 O28 S4 -","24","3","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.186","0.0848","","","0.2211","0.2735","","","","","","0.931","","","","has coordinates","257430","2020-10-21","18:00:00",""
"7239865","10.0426","0.0014","15.734","0.002","17.504","0.003","101.186","0.002","96.301","0.002","101.842","0.002","2623.1","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","1","0.5","","Yang, Xiya; Zhu, Peipei; Ma, Xiaoliang; Li, Wenjing; Tan, Zenglong; Sha, Jingquan","Graphite-like polyoxometalate-based metal‒organic framework as an efficient anode for lithium ion batteries","CrystEngComm","2020","","","","","10.1039/C9CE01936G","","","0.71073","MoKα","","0.0757","0.0472","","","0.1338","0.1527","","","","","","1.038","","","","has coordinates","247513","2020-10-21","18:00:00",""
"7239866","10.3559","0.0008","12.2616","0.0009","10.7523","0.0008","90","","91.528","0.007","90","","1364.84","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]benzenesulfonohydrazide","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]benzenesulfonohydrazide","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead","RSC Advances","2020","10","9","5316","5327","10.1039/C9RA09080K","","","0.71073","MoKα","","0.0558","0.0404","","","0.0983","0.11","","","","","","1.021","","","","has coordinates","258093","2020-10-21","18:00:00",""
"7239867","11.4162","0.0004","11.4162","0.0004","20.9435","0.0007","90","","90","","120","","2363.87","0.14","296","2","296","2","","","","","","","","5","P 65","P 65","170","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C90 H84 N12 O24 S6 -","6","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead","RSC Advances","2020","10","9","5316","5327","10.1039/C9RA09080K","","","0.71073","MoKα","","0.0851","0.0458","","","0.1219","0.1426","","","","","","1.011","","","","has coordinates","258093","2020-10-21","18:00:00",""
"7239868","30.2857","0.0013","16.998","0.0007","28.4898","0.0012","90","","95.403","0.002","90","","14601.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N3 O26 Zn5 -","- C46 H38 N3 O26 Zn5 -","- C368 H304 N24 O208 Zn40 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.181","0.1335","","","0.3646","0.3997","","","","","","1.054","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239869","9.4648","0.0003","16.2782","0.0006","11.5458","0.0004","90","","97.104","0.002","90","","1765.2","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mn N2 O7 -","- C15 H20 Mn N2 O7 -","- C60 H80 Mn4 N8 O28 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.0963","0.0766","","","0.2293","0.2451","","","","","","1.097","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239870","20.1064","0.0005","14.018","0.0004","18.9293","0.0005","90","","118.072","0.002","90","","4707.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cd5 O24 -","- C27 H17 Cd5 O24 -","- C108 H68 Cd20 O96 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.2691","0.2531","","","0.5548","0.5618","","","","","","1.111","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239871","12.5634","0.0003","16.1618","0.0003","17.1222","0.0003","90","","90","","90","","3476.61","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H11 Cd N2 O5 -","- C11 H9 Cd N O6 -","- C88 H72 Cd8 N8 O48 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","1.54184","CuKα","","0.0452","0.041","","","0.1205","0.137","","","","","","1.126","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239872","34.2808","0.0008","19.8399","0.0004","18.1612","0.0004","90","","102.818","0.002","90","","12044.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Mn3 N O19 -","- C33 H24 Mn3 N O19 -","- C264 H192 Mn24 N8 O152 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","x-ray","1.54184","CuKα","","0.1111","0.0984","","","0.2865","0.3008","","","","","","1.063","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239873","29.6191","0.0012","5.7006","0.0002","17.6543","0.0006","90","","100.62","0.004","90","","2929.81","0.19","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C156 H116 N4 O8 -","4","1","","Huang, Zengfang; Chen, Yali; Wang, Runze; Zhou, Chaoyue; Liu, Xiaobo; Mao, Liucheng; Yuan, Jinying; Tao, Lei; Wei, Yen","An acrylate AIE-active dye with a two-photon fluorescent switch for fluorescent nanoparticles by RAFT polymerization: synthesis, molecular structure and application in cell imaging","RSC Advances","2020","10","10","5704","5711","10.1039/C9RA10430E","","x-ray","1.54184","CuKα","","0.0935","0.0702","","","0.1357","0.167","","","","","","1.035","","","","has coordinates","257969","2020-10-21","18:00:00",""
"7239874","16.678","0.005","7.107","0.005","15.865","0.005","90","0.005","97.397","0.005","90","0.005","1864.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 N2 O -","- C6 H12 Cl2 N2 O -","- C48 H96 Cl16 N16 O8 -","8","2","","Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine","Synthesis, intermolecular interactions and biological activities of two new organic‒inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O","RSC Advances","2020","10","10","5864","5873","10.1039/C9RA09294C","","","0.71069","MoKα","","0.0289","0.0246","","","0.0731","0.0915","","","","","","1.191","","","","has coordinates","257970","2020-10-21","18:00:00",""
"7239875","6.656","0.0009","7.7563","0.001","9.1524","0.0012","76.32","0.004","80.652","0.004","82.187","0.005","450.65","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C12 H20 Br4 N4 -","2","1","","Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine","Synthesis, intermolecular interactions and biological activities of two new organic‒inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O","RSC Advances","2020","10","10","5864","5873","10.1039/C9RA09294C","","","0.71073","MoKα","","0.0224","0.0204","","","0.0506","0.0515","","","","","","1.053","","","","has coordinates","257970","2020-10-21","18:00:00",""
"7239876","15.949","0.002","9.0933","0.0012","25.01","0.003","90","","113.421","0.002","90","","3328.3","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br F3 N2 O2 -","- C17 H12 Br F3 N2 O2 -","- C136 H96 Br8 F24 N16 O16 -","8","1","","Xu, Xiaobo; Xia, Chengcai; Li, Xiaojun; Sun, Jian; Hao, Liqiang","Visible-light-induced aerobic C3‒H fluoroalkoxylation of quinoxalin-2(1H)-ones with fluoroalkyl alcohols","RSC Advances","2020","10","4","2016","2026","10.1039/C9RA10194B","","","0.71073","MoKα","","0.0918","0.0467","","","0.1044","0.1197","","","","","","1.013","","","","has coordinates","258039","2020-10-21","18:00:00",""
"7239877","9.1084","0.0008","10.8314","0.0009","17.2226","0.0014","90","","94.06","0.003","90","","1694.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(NZ)-N-[(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-N- oxidoanilinium","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Said, Awad I.; El-Emary, Talaat I.","Diastereoselective synthesis of atropisomeric pyrazolyl pyrrolo[3,4-d]isoxazolidines via pyrazolyl nitrone cycloaddition to facially divergent maleimides: intensive NMR and DFT studies","RSC Advances","2020","10","2","845","850","10.1039/C9RA10039C","","","1.54178","CuKα","","0.0372","0.0346","","","0.0844","0.0864","","","","","","1.055","","","","has coordinates","258050","2020-10-21","18:00:00",""
"7239878","8.7889","0.0003","10.1048","0.0005","8.8667","0.0003","90","","93.111","0.003","90","","786.29","0.05","114","4","114","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl O5 -","- C20 H15 Cl O5 -","- C40 H30 Cl2 O10 -","2","1","","Liu, Xinlei; Li, Shuyi; Wei, Xinyu; Zhao, Yu; Lai, Daowan; Zhou, Ligang; Wang, Mingan","Total synthesis of Palmarumycin BGs, C1 and Guignardin E","RSC Advances","2020","10","3","1588","1594","10.1039/C9RA10316C","","x-ray","1.54184","CuKα","","0.0394","0.0379","","","0.0975","0.099","","","","","","1.042","","","","has coordinates","258147","2020-10-21","18:00:00",""
"7239879","9.6166","0.0004","14.4465","0.0006","20.4967","0.001","106.767","0.004","98.427","0.004","101.203","0.004","2611.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H20 O16 Zn3 -","- C44 H20 O16 Zn3 -","- C88 H40 O32 Zn6 -","2","1","","Qin, Jian-Hua; Huang, Ya-Dan; Shi, Ming-Yu; Wang, Hua-Rui; Han, Min-Le; Yang, Xiao-Gang; Li, Fei-Fei; Ma, Lu-Fang","Aqueous-phase detection of antibiotics and nitroaromatic explosives by an alkali-resistant Zn-MOF directed by an ionic liquid","RSC Advances","2020","10","3","1439","1446","10.1039/C9RA08733H","","x-ray","0.71073","MoKα","","0.069","0.0574","","","0.1442","0.1519","","","","","","1.042","","","","has coordinates,has disorder","258148","2020-10-21","18:00:00",""
"7239880","7.3992","0.0018","23.598","0.006","7.8738","0.0019","90","","101.882","0.008","90","","1345.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","Zheng, Kang; Gao, Sijia; Chen, Meishan; Li, Ao; Wu, Weiwei; Qian, Shaosong; Pang, Qiuxiang","Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole‒pyrogallol cocrystal","CrystEngComm","2020","22","8","1404","1413","10.1039/C9CE01726G","","","0.71073","MoKα","","0.0637","0.0481","","","0.1193","0.1294","","","","","","1.034","","","","has coordinates","257438","2020-10-21","18:00:00",""
"7239881","6.0437","0.0003","11.6835","0.0006","14.5203","0.001","90","","96.343","0.007","90","","1019.02","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C48 H32 B4 F8 N8 -","2","0.5","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.71075","MoKα","","0.0367","0.0333","","","0.0866","0.089","","","","","","1.073","","","","has coordinates","249052","2020-10-21","18:00:00",""
"7239882","19.818","0.014","10.284","0.005","12.947","0.006","90","","130.539","0.007","90","","2005","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C96 H64 B8 F16 N16 -","4","0.5","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.71073","MoKα","","0.0813","0.0536","","","0.1191","0.1365","","","","","","1.147","","","","has coordinates","249052","2020-10-21","18:00:00",""
"7239883","20.5","0.02","20.4","0.02","8.11","0.008","90","","95.68","","90","","3375","6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H22 B3 Cl F6 N6 -","- C33.498 H21.996 B3 Cl0.996 F6 N6 -","- C133.992 H87.984 B12 Cl3.984 F24 N24 -","4","1","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.6889","synchrotron","","0.1635","0.1329","","","0.3379","0.373","","","","","","1.304","","","","has coordinates,has disorder","249052","2020-10-21","18:00:00",""
"7239884","16.2697","0.001","9.5846","0.0005","13.562","0.0009","90","","111.878","0.007","90","","1962.5","0.2","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Br2 Cl6 N2 Te -","- C6 H20 Br2 Cl6 N2 Te -","- C24 H80 Br8 Cl24 N8 Te4 -","4","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0284","0.0274","","","0.0661","0.0667","","","","","","1.051","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239885","7.7903","0.0004","8.952","0.0005","17.1961","0.001","100.706","0.005","97.205","0.005","108.223","0.005","1097.41","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C24 H32 Br4 Cl12 N4 Te2 -","2","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0465","0.0345","","","0.0688","0.074","","","","","","1.06","","","","has coordinates,has disorder","257483","2020-10-21","18:00:00",""
"7239886","9.2138","0.0002","9.2138","0.0002","25.0947","0.0008","90","","90","","90","","2130.39","0.09","140","2","140","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C48 H64 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0315","0.0271","","","0.0412","0.0422","","","","","","1.063","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239887","16.8313","0.0008","9.4395","0.0004","13.2246","0.0006","90","","109.26","0.005","90","","1983.52","0.17","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br2 Cl6 N2 Te -","- C10 H12 Br2 Cl6 N2 Te -","- C40 H48 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0287","0.024","","","0.0566","0.0582","","","","","","1.068","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239888","4.5912","0.0004","10.6146","0.0007","21.6437","0.0017","90","","94.49","0.008","90","","1051.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-methylbenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-methylphenyl)methylidene]acetohydrazide","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0665","0.054","","","0.1377","0.1463","","","","","","1.083","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239889","4.5906","0.0001","10.7866","0.0002","20.7507","0.0004","90","","94.248","0.002","90","","1024.69","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chlorobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-chlorophenyl)methylidene]acetohydrazide","","- C10 H8 Cl N3 O -","- C10 H8 Cl N3 O -","- C40 H32 Cl4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","1.54178","CuKα","","0.0388","0.0368","","","0.1087","0.1109","","","","","","1.006","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239890","4.6341","0.0001","10.7786","0.0003","21.0532","0.0008","90","","93.975","0.003","90","","1049.06","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-bromobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-bromophenyl)methylidene]acetohydrazide","","- C10 H8 Br N3 O -","- C10 H8 Br N3 O -","- C40 H32 Br4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0562","0.0353","","","0.0671","0.0765","","","","","","1.026","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239891","13.328","0.003","14.307","0.003","29.016","0.006","90.48","0.005","91.743","0.005","94.143","0.005","5516","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C132.5 H118 Dy2 N12 O6 -","- C132.5 H118 Dy2 N12 O6 -","- C265 H236 Dy4 N24 O12 -","2","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.1811","0.0741","","","0.1574","0.2079","","","","","","0.941","","","","has coordinates,has disorder","247931","2020-10-21","18:00:00",""
"7239892","11.3117","0.0006","23.0212","0.0012","17.7515","0.001","90","","107.374","0.0014","90","","4411.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Dy N3 O3 -","- C57 H42 Dy N3 O3 -","- C228 H168 Dy4 N12 O12 -","4","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.09","0.0464","","","0.087","0.1032","","","","","","0.978","","","","has coordinates","247931","2020-10-21","18:00:00",""
"7239893","10.434","0.001","10.434","0.001","20.752","0.005","90","","90","","90","","2259.2","0.6","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C3.43 H2.29 N0.86 O0.29 Zn0.14 -","- C3.42857 H2.28571 N0.857143 O0.285714 Zn0.142857 -","- C96 H64 N24 O8 Zn4 -","28","3.5","","Wu, Yuandi; Liu, Dongyang; Lin, Meihua; Qian, Jing","Zinc(ii)-based coordination polymer encapsulated Tb3+ as a multi-responsive luminescent sensor for Ru3+, Fe3+, CrO42−, Cr2O72− and MnO4−","RSC Advances","2020","10","10","6022","6029","10.1039/C9RA09541A","","","0.71073","MoKα","","0.0406","0.031","","","0.0687","0.073","","","","","","1.04","","","","has coordinates","257968","2020-10-21","18:00:00",""
"7239894","7.878","0.005","12.877","0.005","17.325","0.005","90","","90","","90","","1757.5","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N2 O5 Zn -","- C13 H9 N2 O5 Zn -","- C52 H36 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.5418","CuKα","","0.0516","0.0485","","","0.1366","0.1394","","","","","","1.083","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239895","11.168","0.0008","25.2917","0.0018","21.2081","0.0019","90","","96.363","0.007","90","","5953.5","0.8","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C228 H204 Cu12 N36 O72 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0392","0.035","","","0.0935","0.0971","","","","","","1.038","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239896","10.1522","0.0003","33.2337","0.0012","12.3547","0.0004","90","","90","","90","","4168.4","0.2","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10.5 H4.5 Cd N1.5 O6 -","- C10.5 H4.5 Cd N1.5 O6 -","- C84 H36 Cd8 N12 O48 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0207","0.0198","","","0.0507","0.0512","","","","","","1.015","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239897","9.0778","0.0008","9.6883","0.0008","13.9491","0.0013","76.153","0.008","73.459","0.008","84.233","0.007","1141.16","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","1","0.5","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0373","0.0305","","","0.0806","0.084","","","","","","0.898","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239898","12.3457","0.0002","11.3248","0.0002","29.2277","0.0004","90","","98.689","0.001","90","","4039.5","0.11","112.8","0.3","112.8","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Mn3 N6 O15 -","- C30 H30 Mn3 N6 O15 -","- C120 H120 Mn12 N24 O60 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.0479","0.0393","","","0.0994","0.1073","","","","","","1.028","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239899","11.203","0.005","11.394","0.005","14.313","0.005","90","0.005","90","0.005","90","0.005","1827","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 Zn -","- C12 H12 N2 O5 Zn -","- C48 H48 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.035","0.0315","","","0.074","0.0756","","","","","","1.052","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239900","11.0431","0.0006","9.7384","0.0005","12.139","0.0005","90","","90.252","0.004","90","","1305.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N2 O6 Zn -","- C10 H11 N2 O6 Zn -","- C40 H44 N8 O24 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.0509","0.0439","","","0.1191","0.1232","","","","","","1.078","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239901","11.5931","0.0006","13.5663","0.0005","27.2835","0.0013","90","","89.922","0.005","90","","4291","0.3","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.97 H24.94 Mn3 N5.66 O14 -","- C30.92 H25.48 Mn3 N5.64 O14 -","- C123.68 H101.92 Mn12 N22.56 O56 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.1233","0.0897","","","0.2513","0.3064","","","","","","1.122","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239902","7.7534","0.0003","15.3166","0.0004","8.7169","0.0004","90","","112.728","0.005","90","","954.8","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O6 -","- C19 H17 Co N3 O6 -","- C38 H34 Co2 N6 O12 -","2","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0397","0.0374","","","0.0903","0.0916","","","","","","1.034","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239903","6.6568","0.0017","11.35","0.003","16.471","0.003","90","","90","","90","","1244.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1699","0.075","","","0.1514","0.178","","","","","","1.091","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239904","10.2417","0.0004","12.1827","0.0005","14.1173","0.0006","77.388","0.001","88.119","0.001","77.243","0.001","1676.29","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 N10 O3 Zn2 -","- C35 H26 N10 O3 Zn2 -","- C70 H52 N20 O6 Zn4 -","2","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.0433","0.0284","","","0.0719","0.0773","","","","","","1.047","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239905","6.0468","0.0007","31.046","0.003","10.7876","0.0012","90","","100.317","0.004","90","","1992.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Cl N4 O3 Zn -","- C22 H13 Cl N4 O3 Zn -","- C88 H52 Cl4 N16 O12 Zn4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1096","0.0544","","","0.1026","0.1217","","","","","","1.029","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239906","20.00896","0.00019","53.1688","0.0005","14.50409","0.00014","90","","88.4818","0.0008","90","","15424.8","0.3","98","2","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MMFBr","","- C92.11 H98.73 Br12 N13.5 O3.46 Pd6 -","- C92.115 H98.73 Br12 N13.5 O3.454 Pd6 -","- C368.46 H394.92 Br48 N54 O13.816 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","1.54184","CuKα","","0.1125","0.0834","","","0.2378","0.2582","","","","","","1.051","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239907","20.23","0.0009","53.5168","0.0016","14.3304","0.0003","90","","90.516","0.003","90","","15514.1","0.9","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFcore","","- C84 H84 Br3.69 Cl8.31 N12 O2 Pd6 -","- C84 H84 Br3.709 Cl8.291 N12 O2 Pd6 -","- C336 H336 Br14.836 Cl33.164 N48 O8 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.2528","0.1699","","","0.4275","0.4706","","","","","","1.088","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239908","20.0078","0.0003","53.0768","0.0009","14.5575","0.00018","90","","91.384","0.001","90","","15454.8","0.4","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFshell","","- C90 H93 Br10.86 Cl1.14 N15 O Pd6 -","- C90 H93 Br10.872 Cl1.128 N15 O Pd6 -","- C360 H372 Br43.488 Cl4.512 N60 O4 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.1524","0.109","","","0.2816","0.3017","","","","","","1.102","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239909","18.1413","0.001","10.9944","0.0006","21.6888","0.0012","90","","109.931","0.002","90","","4066.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 N10 Np O22 -","- C28 H46 N10 Np O22 -","- C112 H184 N40 Np4 O88 -","4","0.5","","Takao, Koichiro; März, Juliane; Matsuoka, Moe; Mashita, Takanori; Kazama, Hiroyuki; Tsushima, Satoru","Crystallization of colourless hexanitratoneptunate(iv) with anhydrous H+ countercations trapped in a hydrogen bonded polymer with diamide linkers","RSC Advances","2020","10","10","6082","6087","10.1039/C9RA10090C","","","0.71073","MoKα","","0.027","0.0192","","","0.0394","0.042","","","","","","1.068","","","","has coordinates,has disorder","257967","2020-10-21","18:00:00",""
"7239910","9.8264","0.001","10.7164","0.0011","19.517","0.002","90","","103.175","0.004","90","","2001.1","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N10 Np O22 -","- C28 H46 N10 Np O22 -","- C56 H92 N20 Np2 O44 -","2","0.5","","Takao, Koichiro; März, Juliane; Matsuoka, Moe; Mashita, Takanori; Kazama, Hiroyuki; Tsushima, Satoru","Crystallization of colourless hexanitratoneptunate(iv) with anhydrous H+ countercations trapped in a hydrogen bonded polymer with diamide linkers","RSC Advances","2020","10","10","6082","6087","10.1039/C9RA10090C","","","0.71073","MoKα","","0.0268","0.0188","","","0.0588","0.0691","","","","","","1.34","","","","has coordinates","257967","2020-10-21","18:00:00",""
"7239911","9.1964","0.0018","13.197","0.003","14.447","0.003","90","","90","","90","","1753.4","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Gd O12 -","- C16 H13 Gd O12 -","- C64 H52 Gd4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.024","0.0233","","","0.053","0.0534","","","","","","1.135","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239912","9.2104","0.0018","13.203","0.003","14.465","0.003","90","","90","","90","","1759","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Eu O12 -","- C16 H13 Eu O12 -","- C64 H52 Eu4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0244","0.0239","","","0.0529","0.0531","","","","","","1.138","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239913","9.1988","0.0018","13.161","0.003","14.406","0.003","90","","90","","90","","1744.1","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 O12 Tb -","- C16 H13 O12 Tb -","- C64 H52 O48 Tb4 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0299","0.0293","","","0.073","0.0736","","","","","","1.106","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239914","19.329","0.004","18.257","0.004","23.014","0.004","90","","107.892","0.003","90","","7729","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C144 H98 Dy8 N24 O61 -","- C144 H98 Dy8 N24 O61 -","- C288 H196 Dy16 N48 O122 -","2","0.5","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","","0.71073","MoKα","","0.0676","0.0495","","","0.1336","0.1502","","","","","","1.009","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239915","6.78","0.002","27.939","0.008","11.546","0.004","90","","101.63","0.004","90","","2142.2","1.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N4 O9 Sm -","- C24 H14 N4 O9 Sm -","- C96 H56 N16 O36 Sm4 -","4","1","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","","0.71073","MoKα","","0.0255","0.0229","","","0.0603","0.0661","","","","","","1.0491","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239916","19.3527","0.0003","18.2613","0.0003","23.1008","0.0004","90","","107.756","0.002","90","","7775","0.2","296.8","0.4","296.8","0.4","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C144 H98 N24 O61 Tb8 -","- C144 H98 N24 O61 Tb8 -","- C288 H196 N48 O122 Tb16 -","2","0.5","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","x-ray","0.71073","MoKα","","0.0349","0.0279","","","0.0603","0.0626","","","","","","1.048","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239917","10.7183","0.0012","13.8384","0.0016","14.7191","0.0017","95.994","0.002","98.595","0.002","99.932","0.002","2107.2","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H28 N6 -","- C50 H28 N6 -","- C100 H56 N12 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.1473","0.0884","","","0.2545","0.2818","","","","","","0.993","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239918","9.681","0.003","10.53","0.003","12.299","0.003","65.887","0.005","70.323","0.005","85.583","0.006","1074.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 Cl2 N3 -","- C26 H16 Cl2 N3 -","- C52 H32 Cl4 N6 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.0967","0.0691","","","0.1843","0.2165","","","","","","1.048","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239919","3.934","0.0008","14.576","0.003","16.601","0.003","71.17","0.03","87.33","0.03","82.84","0.03","893.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","1","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.0301","0.0297","","","0.084","0.0844","","","","","","1.044","","","","has coordinates","248065","2020-10-21","18:00:00",""
"7239920","3.85","0.0008","14.124","0.003","26.384","0.005","93.98","0.03","91.69","0.03","92.08","0.03","1429.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H22 N4 O4.25 -","- C35 H22 N4 O4.25 -","- C70 H44 N8 O8.5 -","2","1","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","Synchrotron","","0.1383","0.1192","","","0.354","0.3645","","","","","","1.151","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239921","7.136","0.0014","12.568","0.003","14.975","0.003","90","","94.29","0.03","90","","1339.3","0.5","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.1153","0.1062","","","0.3106","0.3161","","","","","","1.282","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239922","13.6199","0.0003","12.0853","0.0003","23.023","0.0005","90","","98.247","0.002","90","","3750.41","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cu2 N13 O14 -","- C32 H29 Cu2 N13 O14 -","- C128 H116 Cu8 N52 O56 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0584","0.0402","","","0.0997","0.1094","","","","","","1.024","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239923","10.616","0.003","7.3808","0.0018","10.876","0.003","90","","100.629","0.004","90","","837.6","0.4","296","2","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 Cu N4 O7 S -","- C15 H14 Cu N4 O7 S -","- C30 H28 Cu2 N8 O14 S2 -","2","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","","0.71073","MoKα","","0.0363","0.0284","","","0.06","0.0622","","","","","","1.051","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239924","8.6128","0.0004","18.23","0.0007","21.5956","0.0009","90","","94.99","0.004","90","","3377.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 Cu N8 O12 -","- C30 H28 Cl2 Cu N8 O12 -","- C120 H112 Cl8 Cu4 N32 O48 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0895","0.0639","","","0.1787","0.2002","","","","","","1.046","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239925","10.2362","0.0005","17.597","0.0006","10.3334","0.001","90","","109.474","0.008","90","","1754.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14.5 Cl2 Cu N4 O2.25 -","- C15 H14 Cl2 Cu N4 O2.25 -","- C60 H56 Cl8 Cu4 N16 O9 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0766","0.0541","","","0.1551","0.1724","","","","","","1.045","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239926","9.6197","0.0012","22.809","0.003","13.0632","0.0012","90","","127.446","0.006","90","","2275.6","0.5","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 Cu N4 O4 S2 -","- C18 H22 Cl2 Cu N4 O4 S2 -","- C72 H88 Cl8 Cu4 N16 O16 S8 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","","0.71073","MoKα","","0.0325","0.0279","","","0.0812","0.0842","","","","","","1.095","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239927","11.071","0.0006","33.288","0.002","26.7627","0.0011","90","","100.081","0.005","90","","9710.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N10 O11 -","- C28 H18 Cu2 N10 O10 -","- C336 H216 Cu24 N120 O120 -","12","3","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.1977","0.1063","","","0.2169","0.2663","","","","","","1.024","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239928","7.5587","0.0004","8.8898","0.0007","12.5059","0.0007","74.341","0.006","74.736","0.005","67.915","0.006","737.35","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","0.71073","MoKα","","0.0535","0.0448","","","0.1028","0.1089","","","","","","1.07","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239929","9.897","0.0003","9.847","0.0003","14.2912","0.0005","90","","93.032","0.003","90","","1390.81","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N3 -","- C15 H21 N3 -","- C60 H84 N12 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0559","0.0482","","","0.1314","0.138","","","","","","1.08","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239930","10.5993","0.0003","11.9893","0.0004","28.8362","0.0008","90","","90","","90","","3664.45","0.19","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H16 N4 S3 -","- C19 H16 N4 S3 -","- C152 H128 N32 S24 -","8","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.041","0.0349","","","0.0879","0.0911","","","","","","1.058","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239931","4.4117","0.0004","11.8292","0.0013","12.0532","0.0011","97.48","0.008","97.624","0.007","93.401","0.008","616.27","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0783","0.0584","","","0.1834","0.1896","","","","","","1.3","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239932","11.7806","0.0004","14.4288","0.0004","11.4659","0.0003","90","","90","","90","","1948.97","0.1","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H22 N4 -","- C25 H22 N4 -","- C100 H88 N16 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0335","0.0308","","","0.0741","0.0754","","","","","","1.077","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239933","11.8744","0.0003","14.4778","0.0004","17.3921","0.0004","89.485","0.002","80.497","0.002","72.612","0.002","2811.59","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C128 H120 N24 S8 -","8","4","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0508","0.045","","","0.1242","0.1272","","","","","","1.102","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239934","12.3235","0.0003","14.5512","0.0003","13.93","0.0003","90","","109.772","0.003","90","","2350.69","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","2","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0382","0.035","","","0.0896","0.0917","","","","","","1.058","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239935","4.0579","0.00012","20.9622","0.0007","21.68","0.0006","90","","91.982","0.003","90","","1843.05","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 S -","- C22 H19 N5 S -","- C88 H76 N20 S4 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0473","0.0377","","","0.1014","0.1081","","","","","","1.041","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239936","19.9809","0.0013","17.0776","0.0011","5.5951","0.0003","90","","90","","90","","1909.2","0.2","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C24 H21 N5 -","- C24 H21 N5 -","- C96 H84 N20 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0499","0.0435","","","0.1034","0.1085","","","","","","1.08","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239937","9.9087","0.0002","12.9484","0.0003","22.1427","0.0007","90","","100.956","0.003","90","","2789.17","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54178","CuKα","","0.0595","0.0535","","","0.1396","0.1484","","","","","","1.037","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239938","56.364","0.003","15.9827","0.0009","6.1539","0.0003","90","","90","","90","","5543.7","0.5","293.52","0.16","293.52","0.16","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C320 H208 N16 -","8","2","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","x-ray","1.54184","CuKα","","0.1264","0.0887","","","0.2357","0.2664","","","","","","1.059","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239939","11.8562","0.0008","13.4286","0.0009","13.4659","0.0005","77.628","0.004","86.612","0.004","68.539","0.006","1948.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H35 Cl2 N2 -","- C53 H35 Cl2 N2 -","- C106 H70 Cl4 N4 -","2","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54184","CuKα","","0.1832","0.1254","","","0.2505","0.2946","","","","","","1.076","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239940","11.081","0.002","13.386","0.003","15.426","0.003","83.38","0.03","83.88","0.03","88.67","0.03","2259.8","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H28 Cl4 Co N6 -","- C50 H28 Cl4 Co N6 -","- C100 H56 Cl8 Co2 N12 -","2","1","","Guergueb, Mouhieddinne; Nasri, Soumaya; Brahmi, Jihed; Loiseau, Frédérique; Molton, Florian; Roisnel, Thierry; Guerineau, Vincent; Turowska-Tyrk, Ilona; Aouadi, Kaïss; Nasri, Habib","Effect of the coordination of π-acceptor 4-cyanopyridine ligand on the structural and electronic properties of meso-tetra(para-methoxy) and meso-tetra(para-chlorophenyl) porphyrin cobalt(ii) coordination compounds. Application in the catalytic degradation of methylene blue dye","RSC Advances","2020","10","12","6900","6918","10.1039/C9RA08504A","","","0.71073","MoKα","","0.0821","0.0638","","","0.1801","0.2025","","","","","","1.131","","","","has coordinates,has disorder","258142","2020-10-21","18:00:00",""
"7239941","36.676","0.004","13.4126","0.0015","19.944","0.002","90","","103.378","0.004","90","","9544.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H41 Cl3 Co N6 O4 -","- C55 H41 Cl3 Co N6 O4 -","- C440 H328 Cl24 Co8 N48 O32 -","8","1","","Guergueb, Mouhieddinne; Nasri, Soumaya; Brahmi, Jihed; Loiseau, Frédérique; Molton, Florian; Roisnel, Thierry; Guerineau, Vincent; Turowska-Tyrk, Ilona; Aouadi, Kaïss; Nasri, Habib","Effect of the coordination of π-acceptor 4-cyanopyridine ligand on the structural and electronic properties of meso-tetra(para-methoxy) and meso-tetra(para-chlorophenyl) porphyrin cobalt(ii) coordination compounds. Application in the catalytic degradation of methylene blue dye","RSC Advances","2020","10","12","6900","6918","10.1039/C9RA08504A","","","0.71073","MoKα","","0.086","0.0683","","","0.1695","0.1847","","","","","","1.033","","","","has coordinates,has disorder","258142","2020-10-21","18:00:00",""
"7239942","27.451","0.013","13.802","0.006","44.77","0.02","90","","103.479","0.007","90","","16495","13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H111 O32 P7 Ti5 -","- C46 H110 O32 P7 Ti5 -","- C368 H880 O256 P56 Ti40 -","8","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1336","0.093","","","0.2273","0.242","","","","","","1.073","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239943","13.546","0.014","16.293","0.017","18.665","0.02","90","","97.604","0.013","90","","4083","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H116 O34 P8 Ti4 -","- C48 H116 O34 P8 Ti4 -","- C96 H232 O68 P16 Ti8 -","2","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1185","0.0633","","","0.1529","0.171","","","","","","1.101","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239944","25.01","0.005","13.95","0.003","22.82","0.005","90","","115.44","0.03","90","","7190","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H92 O24 P4 Ti4 -","- C48 H92 O24 P4 Ti4 -","- C192 H368 O96 P16 Ti16 -","4","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1185","0.086","","","0.2398","0.2584","","","","","","1.049","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239945","10.918","0.005","11.667","0.006","19.845","0.01","98.141","0.006","90.067","0.006","116.79","0.005","2227.7","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H69 O16 P Ti4 -","- C28 H41 O16 P Ti4 -","- C56 H82 O32 P2 Ti8 -","2","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1383","0.0947","","","0.2007","0.2175","","","","","","0.843","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239946","12.921","0.004","20.151","0.006","17.426","0.005","90","","105.719","0.008","90","","4368","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H116 O34 P8 Ti4 -","- C44.368 H101.444 O32.964 P8 Ti4 -","- C88.736 H202.888 O65.928 P16 Ti8 -","2","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1658","0.1043","","","0.2303","0.2476","","","","","","1.152","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239947","11.667","0.005","12.635","0.007","17.668","0.009","94.311","0.012","105.875","0.01","111.946","0.01","2277","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H128 O36 P2 Ti10 -","- C52 H128 O36 P2 Ti10 -","- C52 H128 O36 P2 Ti10 -","1","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1143","0.0804","","","0.2055","0.2262","","","","","","0.974","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239948","13.141","0.003","14.492","0.004","19.519","0.008","96.504","0.004","99.449","0.005","113.033","0.003","3309.3","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H91 O26 P4 Ti6 -","- C38 H91 O26 P4 Ti6 -","- C76 H182 O52 P8 Ti12 -","2","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.0683","0.0481","","","0.1019","0.1076","","","","","","1.039","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239949","9.8268","0.0007","15.4881","0.0011","10.5137","0.0007","90","","101.433","0.001","90","","1568.42","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Gd N9 O7 -","- C28 H28 Cu Gd N9 O7 -","- C56 H56 Cu2 Gd2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.025","0.0237","","","0.0738","0.0843","","","","","","1.083","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239950","9.862","0.003","15.473","0.005","10.493","0.003","90","","101.542","0.004","90","","1568.8","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Ho N9 O7 -","- C28 H28 Cu Ho N9 O7 -","- C56 H56 Cu2 Ho2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.0219","0.0212","","","0.0592","0.0597","","","","","","1.077","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239951","12.6327","0.0006","15.2434","0.0007","15.98","0.0007","102.027","0.002","105.432","0.002","112.595","0.002","2566.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O6 -","- C33 H27 N O6 -","- C132 H108 N4 O24 -","4","2","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0427","0.0375","","","0.0998","0.1045","","","","","","1.011","","","","has coordinates,has disorder","257598","2020-10-21","18:00:00",""
"7239952","5.6742","0.0002","8.7921","0.0004","13.5713","0.0005","103.259","0.001","95.099","0.001","95.624","0.001","651.48","0.04","100","2","100","1","","","","","","","","3","P -1","-P 1","2","(E)-N-(2,3-dihydro-1H-inden-2-yl)-1(p-tolyl)methanimine","","","- C17 H17 N -","- C17 H17 N -","- C34 H34 N2 -","2","1","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0464","0.0439","","","0.1096","0.1122","","","","","","1.072","","","","has coordinates","257598","2020-10-21","18:00:00",""
"7239953","10.388","0.0004","10.8621","0.0004","11.9356","0.0004","103.368","0.001","111.316","0.001","90.267","0.001","1214.77","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-cyclopropyl-1-phenyl-1H-benzoimidazole","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","2","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0327","0.0314","","","0.0776","0.0784","","","","","","1.099","","","","has coordinates","257598","2020-10-21","18:00:00",""
"7239954","9.4255","0.001","12.9799","0.0013","24.692","0.002","90","","92.779","0.003","90","","3017.3","0.5","283","2","283.36","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.2532","0.1289","","","0.1506","0.186","","","","","","1.203","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239955","9.8465","0.0008","12.7204","0.001","13.4275","0.001","69.672","0.002","71.642","0.002","77.107","0.002","1484.5","0.2","296.36","","296.36","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 N4 O -","- C39 H30 N2 O3 -","- C78 H60 N4 O6 -","2","1","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.1916","0.0852","","","0.112","0.1365","","","","","","1.06","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239956","11.3406","0.0005","9.8838","0.0005","23.649","0.0012","90","","100.092","0.001","90","","2609.8","0.2","293.3","","293.3","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C132 H104 N8 O12 -","4","1","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.1695","0.0748","","","0.1239","0.1516","","","","","","1.024","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239957","9.1237","0.0005","13.4076","0.0007","14.8525","0.0008","83.392","0.004","87.801","0.005","74.413","0.005","1738.36","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 I4 N6 Ni Pb -","- C30 H22 I4 N6 Ni Pb -","- C60 H44 I8 N12 Ni2 Pb2 -","2","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0938","0.0572","","","0.1036","0.1238","","","","","","1.019","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239958","29.1712","0.0002","29.1712","0.0002","29.1712","0.0002","90","","90","","90","","24823.5","0.3","100","0.1","100","0.1","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C30 H22 I6 N6 Ni Pb2 -","- C30 H22 I6 N6 Ni Pb2 -","- C720 H528 I144 N144 Ni24 Pb48 -","24","0.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0204","0.0176","","","0.0279","0.0283","","","","","","1.029","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239959","10.1531","0.0003","19.0353","0.0006","30.5736","0.0011","90","","90.798","0.003","90","","5908.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 I6 N6 Pb3 -","- C30 H22 I6 N6 Pb3 -","- C180 H132 I36 N36 Pb18 -","6","1.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0552","0.0338","","","0.0577","0.0638","","","","","","1.031","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239960","22.3909","0.0006","8.5089","0.0002","39.5465","0.0009","90","","90","","90","","7534.5","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H44 I10 N12 Ni2 Pb3 -","- C60 H44 I10 N12 Ni2 Pb3 -","- C240 H176 I40 N48 Ni8 Pb12 -","4","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0749","0.0474","","","0.1038","0.114","","","","","","1.046","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239961","8.398","0.005","7.421","0.005","13.749","0.007","90","","99.9","0.05","90","","844.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N O S -","- C9 H5 N O S -","- C36 H20 N4 O4 S4 -","4","1","","He, Dongdong; Yao, Jiaojiao; Ma, Boling; Wei, Jinghao; Hao, Guangguo; Tuo, Xun; Guo, Shengmei; Fu, Zhengjiang; Cai, Hu","An electrochemical method for deborylative seleno/thiocyanation of arylboronic acids under catalyst- and oxidant-free conditions","Green Chemistry","2020","22","5","1559","1564","10.1039/C9GC03797G","","","0.71073","MoKα","","0.1066","0.0905","","","0.1814","0.1828","","","","","","3.633","","","","has coordinates","257584","2020-10-21","18:00:00",""
"7239962","10.5685","0.0006","8.4986","0.0006","16.7749","0.0014","90","","96.93","0.006","90","","1495.67","0.19","292.08","0.1","292.08","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N3 -","- C19 H12 F N3 -","- C76 H48 F4 N12 -","4","1","","Bae, Gi Hun; Kim, Suzi; Lee, Na Keum; Dagar, Anuradha; Lee, Jeong Hwa; Lee, Jeeyeon; Kim, Ikyon","Facile approach to benzo[d]imidazole-pyrrolo[1,2-a]pyrazine hybrid structures through double cyclodehydration and aromatization and their unique optical properties with blue emission","RSC Advances","2020","10","12","7265","7288","10.1039/D0RA01140A","","x-ray","0.71073","MoKα","","0.1375","0.0571","","","0.1182","0.1534","","","","","","1.03","","","","has coordinates","258144","2020-10-21","18:00:00",""
"7239963","27.838","0.0016","27.838","0.0016","28.8132","0.0008","90","","90","","120","","19337.4","1.7","100","2","100","2","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C216 H414 Br18 N72 O324 Rh24 S72 Zn24 -","6","0.5","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0669","0.0428","","","0.0952","0.1012","","","","","","0.854","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239964","19.365","0.003","19.365","0.003","52.561","0.004","90","","90","","90","","19711","5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C288 H576 N96 O452 Rh32 S120 Zn32 -","8","1","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0396","0.0386","","","0.1091","0.1099","","","","","","1.075","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239965","19.5781","0.0011","9.864","0.0006","5.5937","0.0003","90","","90","","90","","1080.25","0.11","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","rac-mephenoxalone","rac-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","1.54178","CuKα","","0.0243","0.0238","","","0.0643","0.0648","","","","","","1.044","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239966","9.7048","0.0007","5.5085","0.0004","10.4326","0.0007","90","","108.56","0.004","90","","528.71","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-mephenoxalone","(R)-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","0.71073","MoKα","","0.065","0.041","","","0.0756","0.0811","","","","","","1.018","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239967","10.5747","0.0008","17.7318","0.0016","23.316","0.002","90","","94.187","0.003","90","","4360.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N5 Na Ni2 O9 S -","- C43 H50 N5 Na Ni2 O9 S -","- C172 H200 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.131","0.0848","","","0.208","0.2429","","","","","","1.03","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239968","15.2672","0.0017","17.8828","0.0019","19.158","0.002","90","","106.963","0.003","90","","5003","0.9","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 N5 Na Ni2 O9 S -","- C48 H60 N5 Na Ni2 O9 S -","- C192 H240 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1388","0.068","","","0.1713","0.2284","","","","","","1.043","","","","has coordinates,has disorder","248391","2020-10-21","18:00:00",""
"7239969","20.524","0.003","10.4135","0.0011","22.375","0.003","90","","117.254","0.003","90","","4251.2","1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 N6 Na Ni2 O7 -","- C42 H48 N7 Na Ni2 O8 -","- C168 H192 N28 Na4 Ni8 O32 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1203","0.0696","","","0.182","0.2206","","","","","","0.946","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239970","37.44","0.03","9.494","0.008","34.86","0.03","90","","114.199","0.019","90","","11302","16","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 Cl N4 Na Ni2 O12 -","- C46 H56 Cl N4 Na Ni2 O12 -","- C368 H448 Cl8 N32 Na8 Ni16 O96 -","8","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1077","0.0745","","","0.2011","0.2254","","","","","","1.086","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239971","7.7569","0.0006","15.7881","0.0012","10.9425","0.0011","90","","91.562","0.008","90","","1339.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N16 O2 -","- C24 H22 Co N16 O2 -","- C48 H44 Co2 N32 O4 -","2","0.5","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.1142","0.0687","","","0.1284","0.1558","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239972","13.1218","0.0007","14.2515","0.0007","14.6292","0.0008","90","","102.327","0.005","90","","2672.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N18 O -","- C24 H22 Co N18 O -","- C96 H88 Co4 N72 O4 -","4","1","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1223","0.1386","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239973","11.3479","0.0005","10.0774","0.0005","11.9461","0.0006","90","","98.694","0.004","90","","1350.43","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Yue, Jing; Ma, Xi-Tao; Liu, Xiong-Li; Wang, Jun-Xin; Liu, Xiong-Wei; Zhou, Ying","Ammonium hydroxide as the ultimate amino source for the synthesis of N-unprotected 3-tetrasubstituted aminooxindoles via catalyst-free direct amination","Green Chemistry","2020","22","6","1837","1841","10.1039/D0GC00130A","","x-ray","0.71073","MoKα","","0.0561","0.0457","","","0.1136","0.122","","","","","","1.07","","","","has coordinates","257597","2020-10-21","18:00:00",""
"7239974","12.8233","0.0013","10.2114","0.0007","12.0326","0.0013","90","","116.906","0.013","90","","1405","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O -","- C16 H15 Cl N2 O -","- C64 H60 Cl4 N8 O4 -","4","1","","Yue, Jing; Ma, Xi-Tao; Liu, Xiong-Li; Wang, Jun-Xin; Liu, Xiong-Wei; Zhou, Ying","Ammonium hydroxide as the ultimate amino source for the synthesis of N-unprotected 3-tetrasubstituted aminooxindoles via catalyst-free direct amination","Green Chemistry","2020","22","6","1837","1841","10.1039/D0GC00130A","","x-ray","0.71073","MoKα","","0.0562","0.0437","","","0.0944","0.1027","","","","","","1.022","","","","has coordinates","257597","2020-10-21","18:00:00",""
"7239975","36.239","0.006","7.157","0.0012","11.2151","0.0019","90","","104.478","0.003","90","","2816.4","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C120 H152 N24 O8 -","8","1","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0616","0.0529","","","0.1344","0.1395","","","","","","1.113","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239976","12.849","0.005","10.609","0.004","16.349","0.005","90","","96.668","0.005","90","","2213.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C96 H104 N24 O8 -","8","2","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0639","0.0466","","","0.1297","0.1435","","","","","","1.032","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239977","11.5123","0.0013","9.0527","0.0008","19.5365","0.0018","90","","96.232","0.004","90","","2024","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C88 H88 N24 O8 -","8","2","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0481","0.041","","","0.1014","0.1062","","","","","","1.032","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239978","22.5522","0.0016","7.1022","0.0005","13.462","0.0009","90","","110.4","0.003","90","","2021","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N6 O3 -","- C22 H24 N6 O3 -","- C88 H96 N24 O12 -","4","0.5","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0471","0.0423","","","0.1113","0.1161","","","","","","1.056","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239979","12.7067","0.0006","13.0794","0.0004","21.0583","0.0008","88.535","0.003","73.381","0.004","61.238","0.004","2913.6","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","1","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0698","0.0591","","","0.1606","0.1706","","","","","","1.107","","","","has coordinates,has disorder","248476","2020-10-21","18:00:00",""
"7239980","17.051","0.015","5.459","0.004","18.215","0.016","90","","101.114","0.009","90","","1664","2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Co N2 O14 S2 -","- C32 H28 Co N2 O14 S2 -","- C64 H56 Co2 N4 O28 S4 -","2","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","","0.71073","MoKα","","0.072","0.051","","","0.1159","0.1262","","","","","","1.063","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239981","13.1613","0.0002","8.5565","0.00014","27.639","0.0005","90","","94.8776","0.0014","90","","3101.28","0.09","100.01","0.11","100.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N4 O12 Zn -","- C34 H26 N4 O12 Zn -","- C136 H104 N16 O48 Zn4 -","4","1","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0378","0.0316","","","0.0869","0.0901","","","","","","1.032","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239982","13.5349","0.0008","8.6599","0.0006","26.4575","0.0017","90","","95.607","0.006","90","","3086.3","0.3","100.01","0.13","100.01","0.13","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C32 H24 Cd N2 O12 S2 -","- C32 H24 Cd N2 O12 S2 -","- C128 H96 Cd4 N8 O48 S8 -","4","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0342","0.0327","","","0.0876","0.0888","","","","","","1.075","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239983","11.7246","0.0003","8.3285","0.0002","16.9656","0.0005","90","","90","","90","","1656.66","0.08","106","7","106","7","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TR67.0U","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C64 H88 N8 O24 -","8","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0425","0.0375","","","0.0945","0.0977","","","","","","1.085","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239984","7.1931","0.0003","7.0581","0.0004","8.4454","0.0004","90","","92.515","0.004","90","","428.36","0.04","107","4","107","4","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","0.5","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0907","0.0936","","","","","","1.057","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239985","7.1964","0.0001","11.9878","0.0003","14.751","0.0003","90","","90","","90","","1272.55","0.04","107","5","107","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","TR205","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.029","0.0277","","","0.0719","0.0728","","","","","","1.047","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239986","24.7484","0.0003","10.706","0.0001","26.2577","0.0003","90","","115.723","0.001","90","","6267.71","0.13","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 N4 O24 -","- C60 H84 N4 O24 -","- C240 H336 N16 O96 -","4","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0489","0.0428","","","0.112","0.1162","","","","","","1.027","","","","has coordinates,has disorder","257596","2020-10-21","18:00:00",""
"7239987","12.4692","0.001","3.76053","0.00017","9.62324","0.00071","90","","89.87","0.015","90","","451.24","0.05","523","","523","","","","","","","","","5","P 1 2/m 1","-P 2y","10","catena-dibromo-(4-cyanopyridine)cobalt","catena-dibromo-(4-cyanopyridine)cobalt","","- C6 H4 Br2 Co N2 -","- C6 H4 Br2 Co N2 -","- C12 H8 Br4 Co2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine complexes [MX2(4-CNpy)x]n (with X = Cl, Br and x = 1, 2): crystal structures, thermal properties and a comparison with [MX2(3-CNpy)x]n complexes","CrystEngComm","2020","","","","","10.1039/C9CE02012H","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.24881","1.413","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7239988","9.2673","0.0004","22.6873","0.0009","13.9052","0.0006","90","","97.311","0.001","90","","2899.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Co N3 O4 -","- C29 H19 Co N3 O4 -","- C116 H76 Co4 N12 O16 -","4","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0541","0.0395","","","0.0964","0.1024","","","","","","1.032","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239989","7.1483","0.0005","9.8254","0.0006","13.6568","0.0007","78.512","0.005","83.808","0.005","72.957","0.006","897.44","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cd N3 O6 -","- C19 H16 Cd N3 O6 -","- C38 H32 Cd2 N6 O12 -","2","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0399","0.0316","","","0.0593","0.0644","","","","","","1.047","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239990","9.402","0.0007","10.0486","0.0007","11.9827","0.0007","91.907","0.005","101.849","0.006","108.606","0.006","1044.09","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","1","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0773","0.051","","","0.0988","0.1151","","","","","","1.04","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239991","14.6692","0.0009","15.6563","0.0008","24.8935","0.0011","90","","90.67","0.004","90","","5716.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 Co2 N10 O13 -","- C62 H48 Co2 N10 O13 -","- C248 H192 Co8 N40 O52 -","4","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0768","0.0526","","","0.1494","0.1754","","","","","","0.901","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239992","9.6026","0.0005","9.6026","0.0005","23.3261","0.0012","90","","90","","120","","1862.73","0.17","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N3 -","- C6 H14 Br3 N3 -","- C36 H84 Br18 N18 -","6","1","","Morita, Hagino; Tsunashima, Ryo; Nishihara, Sadafumi; Akutagawa, Tomoyuki","Doping of Metal-free Molecular Perovskite with Hexamethylenetetramine to Create Non-centrosymmetric Defects","CrystEngComm","2020","","","","","10.1039/D0CE00173B","","","0.71073","MoKα","","0.0617","0.0489","","","0.1164","0.1266","","","","","","1.161","","","","has coordinates,has disorder","248521","2020-10-21","18:00:00",""
"7239993","12.654","0.003","13.533","0.003","18.382","0.004","83.29","0.03","87.52","0.03","71.4","0.03","2962.9","1.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 Cu F30 N5 O13 Tb -","- C44 H32 Cu F30 N5 O13 Tb -","- C88 H64 Cu2 F60 N10 O26 Tb2 -","2","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","0.71073","MoKα","","0.0595","0.0508","","","0.136","0.146","","","","","","1.002","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239994","9.2257","0.0018","16.713","0.003","21.02","0.004","90","","90","","90","","3241.1","1.1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N5 O3 -","- C16 H20 N5 O3 -","- C128 H160 N40 O24 -","8","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","0.71073","MoKα","","0.1059","0.0696","","","0.1616","0.1875","","","","","","1.01","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239995","18.785","0.003","17.138","0.003","52.309","0.01","90","","96.852","0.004","90","","16720","5","113","2","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C123 H72 Cu3 F90 N15 O39 Tb3 -","- C123 H72 Cu3 F90 N15 O39 Tb3 -","- C492 H288 Cu12 F360 N60 O156 Tb12 -","4","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","1.54178","CuKα","","0.1084","0.0686","","","0.1577","0.1857","","","","","","1.053","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239996","39.5261","0.0003","39.5261","0.0003","16.5278","0.0001","90","","90","","120","","22362.2","0.3","200","2","200","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C44 H22 O16.3 U0.27 Zr3 -","- C44 H22 O16.3 U0.268 Zr3 -","- C264 H132 O97.8 U1.608 Zr18 -","6","0.25","","Knapp, Julia G.; Zhang, Xuan; Elkin, Tatyana; Wolfsberg, Laura E.; Hanna, Sylvia L.; Son, Florencia A.; Scott, Brian L.; Farha, Omar K.","Single crystal structure and photocatalytic behavior of grafted uranyl on the Zr-node of a pyrene-based metal‒organic framework","CrystEngComm","2020","","","","","10.1039/C9CE02034A","","x-ray","1.54184","CuKα","","0.0591","0.0542","","","0.1863","0.1916","","","","","","1.098","","","","has coordinates,has disorder","248552","2020-10-21","18:00:00",""
"7239997","11.244","0.003","12.415","0.003","32.461","0.009","90","","92.071","0.005","90","","4528","2","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H108 Ni6 S12 -","- C96 H108 Ni6 S12 -","- C192 H216 Ni12 S24 -","2","0.5","","Pembere, Anthony M. S.; Cui, Chaonan; Anumula, Rajini; Wu, Haiming; An, Pan; Liang, Tongling; Luo, Zhixun","Correction: A hexagonal Ni<sub>6</sub> cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde.","Physical chemistry chemical physics : PCCP","2020","22","10","6010","6010","10.1039/d0cp90052d","","","0.71073","MoKα","","0.0572","0.0498","","","0.0836","0.0872","","","","","","1.126","","","","has coordinates","257929","2020-10-21","18:00:00",""
"7239998","29.8653","0.0017","10.2827","0.0004","10.8622","0.0007","90","","90","","90","","3335.7","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C132 H180 B12 O24 -","12","1.5","","Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi","An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte","RSC Advances","2020","10","15","8780","8789","10.1039/C9RA09559D","","","0.71073","MoKα","","0.0911","0.0545","","","0.1385","0.1644","","","","","","1.014","","","","has coordinates,has disorder","258105","2020-10-21","18:00:00",""
"7239999","13.0671","0.0004","15.9871","0.0005","7.5731","0.0002","90","","96.415","0.003","90","","1572.15","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N3 O6 Re -","- C14 H8 N3 O6 Re -","- C56 H32 N12 O24 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","x-ray","0.71073","MoKα","","0.0444","0.039","","","0.094","0.0969","","","","","","1.01","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240000","8.193","0.0016","8.687","0.0017","10.559","0.002","95.04","0.03","93.13","0.03","97.76","0.03","740.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 Cl2 N2 O3 Re -","- C15 H7 Cl2 N2 O3 Re -","- C30 H14 Cl4 N4 O6 Re2 -","2","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0347","0.0331","","","0.0849","0.0858","","","","","","1.08","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240001","7.96","0.0016","17.171","0.003","10.245","0.002","90","","99.25","0.03","90","","1382.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl F N2 O3 Re -","- C13 H7 Cl F N2 O3 Re -","- C52 H28 Cl4 F4 N8 O12 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0237","0.0226","","","0.0603","0.0683","","","","","","1.202","","","","has coordinates,has disorder","258106","2020-10-21","18:00:00",""
"7240002","11.318","0.002","12.872","0.003","15.669","0.003","102.17","0.03","99.94","0.03","102.5","0.03","2120.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Cl2 N2 O3 Re -","- C13 H7 Cl2 N2 O3 Re -","- C78 H42 Cl12 N12 O18 Re6 -","6","3","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0389","0.0382","","","0.0959","0.0975","","","","","","1.114","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240003","14.655","0.003","10.996","0.002","9.092","0.0018","90","","107.76","0.03","90","","1395.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 N2 O3 Re -","- C13 H7 Cl2 N2 O3 Re -","- C52 H28 Cl8 N8 O12 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.059","0.0554","","","0.139","0.1411","","","","","","1.092","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240004","4.8425","0.0007","24.45","0.004","5.7818","0.0009","90","","99.096","0.005","90","","675.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.1125","0.0675","","","0.121","0.1328","","","","","","1.125","","","","has coordinates,has disorder","257482","2020-10-21","18:00:00",""
"7240005","8.2627","0.0006","8.335","0.0006","8.7473","0.0006","91.177","0.002","117.067","0.002","97.41","0.003","529.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 F N O3 S -","- C10 H10 F N O3 S -","- C20 H20 F2 N2 O6 S2 -","2","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0386","0.0342","","","0.085","0.0874","","","","","","1.084","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240006","12.8358","0.0007","6.172","0.0003","15.5627","0.0008","90","","96.692","0.002","90","","1224.52","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 O4 -","- C14 H9 F N2 O4 -","- C56 H36 F4 N8 O16 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0674","0.047","","","0.1074","0.1166","","","","","","1.065","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240007","3.7104","0.0004","12.1407","0.0015","14.766","0.0015","90","","93.397","0.004","90","","663.99","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.106","0.0599","","","0.1089","0.1236","","","","","","1.058","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240008","17.1497","0.0014","7.3395","0.0006","15.4954","0.0012","90","","109.941","0.002","90","","1833.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 N6 O2 -","- C17 H16 Cl2 N6 O2 -","- C68 H64 Cl8 N24 O8 -","4","1","","Kuang, Wenjie; Ji, Shaochang; Wei , Yufeng; Zhang, Jinyan; Lan, Ping","A New 1:1 Cocrystal of Lamotrigine and 1,2,3,6-4hydrophthalimide:Discovery,Characterization, and Construction of Ternary Phase Diagrams","CrystEngComm","2020","","","","","10.1039/D0CE00178C","","","0.71073","MoKα","","0.0833","0.0493","","","0.1202","0.1373","","","","","","1.037","","","","has coordinates","248635","2020-10-21","18:00:00",""
"7240009","9.3043","0.0002","15.9441","0.0003","17.4454","0.0004","90","","94.552","0.002","90","","2579.84","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cd Cl2 N4 O4 -","- C26 H20 Cd Cl2 N4 O4 -","- C104 H80 Cd4 Cl8 N16 O16 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0457","0.03","","","0.069","0.0761","","","","","","1.023","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240010","13.1061","0.0005","16.0142","0.0005","17.5495","0.0007","90","","97.736","0.004","90","","3649.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd0.5 Cl N3 O2 -","- C20 H17 Cd0.5 Cl N3 O2 -","- C160 H136 Cd4 Cl8 N24 O16 -","8","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.056","0.0458","","","0.1295","0.1374","","","","","","1.048","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240011","14.9929","0.0003","21.3309","0.0004","16.5227","0.0002","90","","98.64","0.002","90","","5224.19","0.16","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H44 Cd2 Cl4 N8 O8 -","- C54 H44 Cd2 Cl4 N8 O8 -","- C216 H176 Cd8 Cl16 N32 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.077","0.0472","","","0.1192","0.1347","","","","","","1.031","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240012","9.6284","0.0006","10.2786","0.0004","18.7313","0.0009","91.228","0.004","101.525","0.004","90.458","0.004","1815.83","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36.7 Cd Cl2 N6 O6.85 -","- C38 H30 Cd Cl2 N6 O4 -","- C76 H60 Cd2 Cl4 N12 O8 -","2","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0997","0.0735","","","0.1846","0.2002","","","","","","1.036","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240013","18.4777","0.0004","9.4892","0.0002","26.8332","0.0004","90","","91.811","0.002","90","","4702.55","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37.5 Cd2 Cl4 N6 O11.75 -","- C45 H30 Cd2 Cl4 N6 O8 -","- C180 H120 Cd8 Cl16 N24 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0593","0.0363","","","0.0796","0.0875","","","","","","0.989","","","","has coordinates,has disorder","248636","2020-10-21","18:00:00",""
"7240014","8.8566","0.0005","9.7807","0.0006","10.05","0.0006","68.906","0.001","84.726","0.001","87.008","0.001","808.62","0.08","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0355","0.0321","","","0.0965","0.1087","","","","","","1.152","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240015","9.0976","0.0006","9.225","0.0006","13.298","0.0009","76.768","0.002","80.206","0.002","62.475","0.001","960.76","0.11","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0367","0.0327","","","0.098","0.105","","","","","","1.11","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240016","8.8697","0.0005","9.7658","0.0006","10.0805","0.0006","69.141","0.001","84.882","0.001","86.982","0.002","812.48","0.08","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Co0.5 N O7 -","- C17 H17 Co0.5 N O7 -","- C34 H34 Co N2 O14 -","2","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0479","0.0456","","","0.128","0.1298","","","","","","1.045","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240017","9.1142","0.0005","14.0364","0.0006","7.8828","0.0004","90","","100.883","0.004","90","","990.31","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 Ni O2 S2 -","- C16 H22 N4 Ni O2 S2 -","- C32 H44 N8 Ni2 O4 S4 -","2","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0621","0.0583","","","0.1526","0.1566","","","","","","1.055","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240018","16.8134","0.0006","14.9609","0.0003","9.801","","90","","114.894","0.002","90","","2236.32","0.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl2 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0296","0.0251","","","0.0642","0.0658","","","","","","1.077","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240019","9.3096","0.0019","10.516","0.002","11.057","0.002","68.06","0.03","66.94","0.03","69.49","0.03","897.1","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C32 H36 N8 Ni2 S4 -","2","1","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.032","0.0269","","","0.0727","0.0743","","","","","","1.076","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240020","10.103","0.0006","11.215","0.0006","18.545","0.0009","106.44","0.004","94.39","0.004","111.05","0.004","1843.2","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","2","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0435","0.0341","","","0.0897","0.0928","","","","","","1.077","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240021","14.1317","0.0014","5.8342","0.0006","14.5513","0.0014","90","","90","","90","","1199.7","0.2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H26 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Sun, Chen; Yue, Yun-Di; Zhang, Wei-Feng; Sun, Xing-Yu; Du, Yan; Pan, Hong-Mei; Ma, Yue-Yu; He, Yuan-Chun; Li, Meng-Ting; Jing, Zhi-Hong","[DMEDA]PbCl4: a one-dimensional organic lead halide perovskite with efficient yellow emission","CrystEngComm","2020","22","8","1480","1486","10.1039/C9CE01816F","","","0.71073","MoKα","","0.0179","0.0172","","","0.0469","0.0472","","","","","","1.087","","","","has coordinates","257441","2020-10-21","18:00:00",""
"7240022","6.467","0.007","7.524","0.008","16.983","0.018","90","","90","","90","","826.4","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0458","0.0387","","","0.1008","0.1055","","","","","","0.953","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240023","7.607","0.006","10.131","0.007","18.949","0.013","86.816","0.011","79.942","0.011","78.363","0.011","1408","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","1","0.5","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.107","0.085","","","0.2511","0.2776","","","","","","1.058","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240024","7.337","0.012","8.408","0.014","9.584","0.016","106.7","0.02","98.23","0.03","107.36","0.02","523.3","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cu I N4 -","- C9 H8 Cu I N4 -","- C18 H16 Cu2 I2 N8 -","2","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0666","0.0596","","","0.152","0.1588","","","","","","1.009","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240025","7.6799","0.0003","10.5256","0.0005","10.9153","0.0005","62.404","0.001","89.158","0.001","74.817","0.001","748.78","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","1","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0289","0.0274","","","0.0745","0.0753","","","","","","1.099","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240026","11.428","0.002","12.41","0.003","12.769","0.003","61.507","0.002","88.882","0.004","76.364","0.004","1537.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N4 Ni O11 S -","- C30 H32 N4 Ni O11 S -","- C60 H64 N8 Ni2 O22 S2 -","2","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0699","0.0519","","","0.1491","0.1574","","","","","","1.009","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240027","34.36","0.007","9.0513","0.0016","19.787","0.003","90","","107.545","0.007","90","","5867.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 N8 Ni2 O17 S2 -","- C60 H54 N8 Ni2 O17 S2 -","- C240 H216 N32 Ni8 O68 S8 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0541","0.0363","","","0.0842","0.0963","","","","","","1.029","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240028","16.5083","0.0007","9.8738","0.0004","19.9446","0.0008","90","","107.595","0.001","90","","3098.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 Ni O8 -","- C34 H32 N4 Ni O8 -","- C136 H128 N16 Ni4 O32 -","4","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0636","0.0419","","","0.1077","0.1206","","","","","","1.017","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240029","21.551","0.002","7.2511","0.0007","20.83","0.0018","90","","117.421","0.001","90","","2889.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 Ni O9 -","- C32 H28 N4 Ni O9 -","- C128 H112 N16 Ni4 O36 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0729","0.0715","","","0.1717","0.1723","","","","","","1.048","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240030","15.6642","0.0007","14.0331","0.0007","26.9234","0.0013","90","","92.866","0.001","90","","5910.8","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 Cu2 N4 O9 -","- C33 H17 Cu2 N4 O9 -","- C264 H136 Cu16 N32 O72 -","8","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0748","0.0458","","","0.1116","0.1259","","","","","","1.001","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240031","7.6768","0.0006","22.9016","0.0018","15.1581","0.0012","90","","94.189","0.002","90","","2657.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 Co N4 O8 -","- C33 H20 Co N4 O8 -","- C132 H80 Co4 N16 O32 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1017","0.0479","","","0.0997","0.1172","","","","","","1.008","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240032","31.9886","0.0019","14.0007","0.0007","15.8473","0.0008","90","","98.91","0.002","90","","7011.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 N12 Ni3 O22 -","- C72 H54 N12 Ni3 O22 -","- C288 H216 N48 Ni12 O88 -","4","0.5","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0775","0.0463","","","0.118","0.134","","","","","","1.002","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240033","9.747","0.0005","11.5054","0.0006","12.5424","0.0007","99.091","0.001","90.462","0.001","109.098","0.001","1309.74","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N4 O9 Zn -","- C29 H20 N4 O9 Zn -","- C58 H40 N8 O18 Zn2 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0513","0.0357","","","0.0768","0.0828","","","","","","1.024","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240034","9.867","0.0005","13.5792","0.0006","19.1123","0.0009","90","","94.495","0.001","90","","2552.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cu N4 O9 -","- C29 H20 Cu N4 O9 -","- C116 H80 Cu4 N16 O36 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0441","0.0318","","","0.0819","0.0878","","","","","","1.003","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240035","9.6652","0.0006","11.526","0.0007","12.5516","0.0008","80.708","0.001","89.602","0.001","70.774","0.001","1301.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Co N4 O9 -","- C29 H20 Co N4 O9 -","- C58 H40 Co2 N8 O18 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0378","0.0312","","","0.0744","0.0777","","","","","","1.035","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240036","15.7534","0.0008","32.9347","0.0016","15.7929","0.0008","90","","111.776","0.001","90","","7609.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H50 N12 Ni3 O17 -","- C84 H50 N12 Ni3 O17 -","- C336 H200 N48 Ni12 O68 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1339","0.0629","","","0.114","0.1338","","","","","","1.017","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240037","7.1646","0.0004","8.5039","0.0011","10.0021","0.0011","104.049","0.01","97.995","0.006","96.617","0.007","578.34","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0814","0.0481","","","0.1","0.1175","","","","","","1.079","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240038","7.3738","0.0011","7.4503","0.0014","8.1802","0.0008","76.479","0.013","66.792","0.008","84.39","0.02","401.58","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","1","0.5","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0525","0.0364","","","0.0836","0.0924","","","","","","1.137","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240039","7.272","0.0003","9.1631","0.0003","10.5276","0.0012","97.273","0.006","110.034","0.006","111.668","0.003","586.18","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0644","0.0461","","","0.114","0.1282","","","","","","1.106","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240040","7.3226","0.0011","9.2359","0.0005","18.444","0.002","100.611","0.006","90.051","0.012","101.428","0.011","1200.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Na2 O10 -","- C8 H12 Na2 O10 -","- C32 H48 Na8 O40 -","4","2","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.1197","0.0555","","","0.1248","0.1593","","","","","","1.059","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240041","27.726","0.002","14.7975","0.0012","7.8558","0.0011","90","","90.294","0.011","90","","3223","0.6","293","2","293","2","","","","","","","Marine Fungus Aspergillus sp. XBB-4","4","C 1 2/c 1","-C 2yc","15","","Asperdione A","","- C14 H19 N4 O2.5 -","- C14 H19 N4 O2.5 -","- C112 H152 N32 O20 -","8","1","","Qiu, Yi; Guo, Qi; Ran, Yan-Qin; Lan, Wen-Jian; Lam, Chi-Keung; Feng, Gong-Kan; Deng, Rong; Zhu, Xiao-Feng; Li, Hou-Jin; Chen, Liu-Ping","Cytotoxic alkaloids from the marine shellfish-associated fungus Aspergillus sp. XBB-4 induced by an amino acid-directed strategy","RSC Advances","2020","10","8","4243","4250","10.1039/C9RA10306F","","","1.54178","CuKα","","0.1384","0.1196","","","0.3293","0.3607","","","","","","1.246","","","","has coordinates,has disorder","258013","2020-10-21","18:00:00",""
"7240042","4.515","0.0001","20.336","0.0005","13.1788","0.0004","90","","95.541","0.001","90","","1204.38","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 Co O10 -","- C28 H20 Co O10 -","- C56 H40 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.029","0.0258","","","0.0577","0.0588","","","","","","1.081","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240043","10.7678","0.0012","43.169","0.005","14.1953","0.0016","90","","102.803","0.004","90","","6434.4","1.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0637","0.0509","","","0.1284","0.1348","","","","","","1.038","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240044","10.0826","0.0009","22.83","0.002","11.2518","0.0009","90","","101.852","0.003","90","","2534.8","0.4","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0943","0.0599","","","0.1451","0.1708","","","","","","1.055","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240045","4.5099","0.0001","20.3181","0.0007","13.1808","0.0005","90","","95.614","0.001","90","","1202","0.07","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 Co O10 -","- C28 H22 Co O10 -","- C56 H44 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0242","0.0228","","","0.0571","0.0578","","","","","","0.988","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240046","10.7966","0.0004","42.8603","0.0017","13.9138","0.0006","90","","101.311","0.002","90","","6313.5","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0959","0.0727","","","0.187","0.1992","","","","","","1.027","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240047","10.0363","0.0003","22.7634","0.0008","11.2352","0.0003","90","","101.676","0.001","90","","2513.68","0.13","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240048","20.8879","0.0015","7.2791","0.0005","21.5015","0.0015","90","","96.086","0.005","90","","3250.8","0.4","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C152 H128 N32 O24 -","8","1","","Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L.","Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution","RSC Advances","2020","10","14","8104","8114","10.1039/C9RA10447J","","","0.71073","MoKα","","0.1383","0.0444","","","0.0686","0.0847","","","","","","0.78","","","","has coordinates","258088","2020-10-21","18:00:00",""
"7240049","12.0432","0.0007","7.3016","0.0004","18.3346","0.0012","90","","96.116","0.004","90","","1603.07","0.17","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","1","","Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L.","Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution","RSC Advances","2020","10","14","8104","8114","10.1039/C9RA10447J","","","0.71073","MoKα","","0.1629","0.041","","","0.0524","0.0687","","","","","","0.716","","","","has coordinates","258088","2020-10-21","18:00:00",""
"7240050","7.2347","0.0002","12.4282","0.0002","20.6075","0.0003","90","","90","","90","","1852.91","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C72 H88 N8 O32 -","8","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0269","0.0265","","","0.0717","0.0718","","","","","","1.071","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240051","9.5701","0.0001","7.7138","0.0002","11.0161","0.0002","90","","90.42","0.001","90","","813.21","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0226","0.0223","","","0.0577","0.0579","","","","","","1.053","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240052","9.5249","0.0001","9.1755","0.0001","24.7518","0.0003","90","","95.845","0.001","90","","2151.95","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H38 N2 O3 -","- C22 H38 N2 O3 -","- C88 H152 N8 O12 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0287","0.0282","","","0.0792","0.0806","","","","","","1.031","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240053","8.4606","0.0004","16.9137","0.0008","35.129","0.003","90","","90.02","0.02","90","","5027","0.5","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C240 H228 N12 O48 -","12","3","","Zhao, Yong-Long; Tang, Yong-Qin; Fei, Xing-Hai; Yang, Fen-Fen; Cao, Zhuo-Xian; Duan, Dong-Zhu; Zhao, Qing-Jie; Yang, Yuan-Yong; Zhou, Meng; He, Bin","Direct C(sp3)‒H acyloxylation of indolin-3-ones with carboxylic acids catalysed by KI","Green Chemistry","2020","22","8","2354","2358","10.1039/C9GC04446A","","x-ray","0.71073","MoKα","","0.0779","0.0515","","","0.1179","0.1354","","","","","","1.027","","","","has coordinates","257581","2020-10-21","18:00:00",""
"7240054","6.3212","0.0009","6.3212","0.0009","53.448","0.011","90","","90","","120","","1849.5","0.5","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H24 N2 O3 -","- C9 H24 N2 O3 -","- C54 H144 N12 O18 -","6","0.166667","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0359","0.0331","","","0.0922","0.0946","","","","","","1.118","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240055","5.6697","0.0004","10.5672","0.0006","15.5754","0.001","109.348","0.001","96.606","0.001","91.607","0.001","872.44","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0389","0.0359","","","0.0885","0.0907","","","","","","1.059","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240056","5.7726","0.0012","7.9815","0.0016","16.594","0.003","99.36","0.03","99.28","0.03","97.44","0.03","734.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0553","0.0403","","","0.0898","0.0971","","","","","","1.04","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240057","25.731","0.005","8.2594","0.0017","12.118","0.002","90","","90","","90","","2575.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H31 N3 O4 -","- C28 H31 N3 O4 -","- C112 H124 N12 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0473","0.0415","","","0.0996","0.1028","","","","","","1.068","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240058","7.1918","0.0014","8.757","0.0018","18.766","0.004","89.75","0.03","79.83","0.03","72.07","0.03","1105.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","2","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1152","0.0647","","","0.1511","0.1786","","","","","","1.023","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240059","9.531","0.0019","8.303","0.0017","9.885","0.002","90","","111.82","0.03","90","","726.2","0.3","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.05","0.0392","","","0.081","0.0862","","","","","","0.992","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240060","8.3469","0.0017","12.268","0.003","20.595","0.004","84.66","0.03","86.58","0.03","76.63","0.03","2041.3","0.8","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C88 H96 N4 O24 -","- C88 H96 N4 O24 -","- C88 H96 N4 O24 -","1","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1012","0.0768","","","0.1977","0.2177","","","","","","1.019","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240061","11.773","0.002","8.493","0.0017","22.318","0.005","90","","96.22","0.03","90","","2218.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0822","0.0545","","","0.1303","0.1464","","","","","","1.025","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240062","22.906","0.005","5.7441","0.0011","15.376","0.003","90","","100.98","0.03","90","","1986.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1345","0.0782","","","0.1955","0.2287","","","","","","1.035","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240063","7.0626","0.0014","8.7704","0.0018","18.63","0.004","90.98","0.03","100.42","0.03","107.25","0.03","1080.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0683","0.0513","","","0.1213","0.1313","","","","","","1.057","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240064","12.222","0.002","14.926","0.003","22.984","0.005","90","","103.42","0.03","90","","4078.4","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N2 O12 -","- C44 H48 N2 O12 -","- C176 H192 N8 O48 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1101","0.0696","","","0.1655","0.1906","","","","","","1.03","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240065","8.43","0.006","17.184","0.013","9.073","0.007","90","","93.26","0.04","90","","1312.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4',6'-dihydroxy-3-(morpholino-4-ium)-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C11 H16 B3 N O7 -","- C11 H16 B3 N O7 -","- C44 H64 B12 N4 O28 -","4","1","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","","0.71073","MoKα","","0.066","0.0472","","","0.1103","0.1188","","","","","","1.032","","","","has coordinates","257615","2020-10-21","18:00:00",""
"7240066","9.549","0.005","11.307","0.002","13.26","0.003","100.88","0.03","92.261","0.011","105.79","0.03","1346.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(dibenzylammonio)-4',6'-dihydroxy-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C27 H34 B3 N O8 -","- C27 H34 B3 N O8 -","- C54 H68 B6 N2 O16 -","2","1","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","","0.71073","MoKα","","0.0534","0.0415","","","0.1006","0.1076","","","","","","1.048","","","","has coordinates,has disorder","257615","2020-10-21","18:00:00",""
"7240067","11.314","0.007","11.98","0.008","17.961","0.01","72.586","0.009","79.494","0.013","72.755","0.019","2207","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,7-di-tert-butyl-4',6'-dihydroxy-3-(morpholino-4-ium)-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C19 H32 B3 N O7 -","- C19 H32 B3 N O7 -","- C76 H128 B12 N4 O28 -","4","2","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","x-ray","0.71073","MoKα","","0.1549","0.0718","","","0.1277","0.1569","","","","","","1.016","","","","has coordinates","257615","2020-10-21","18:00:00",""
"7240068","9.7525","0.0003","20.6661","0.0006","6.358","0.0002","90","","90","","90","","1281.43","0.07","293","","293","","","","101","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.71073","MoKα","","0.0516","0.0218","","0.0788","0.0492","0.0788","","","","","","0.6939","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240069","9.7361","0.0008","20.626","0.013","6.3029","0.0007","90","","90","","90","","1265.7","0.8","293","","293","","","","160000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0348","0.0348","","0.0872","0.0872","0.0872","","","","","","1.0603","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240070","9.6689","0.0007","20.509","0.011","6.1816","0.0005","90","","90","","90","","1225.8","0.7","293","","293","","","","580000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0198","0.0198","","0.051","0.051","0.051","","","","","","0.9958","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240071","9.7551","0.0008","20.661","0.014","6.334","0.0007","90","","90","","90","","1276.6","0.9","293","","293","","","","110000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0351","0.0351","","0.0834","0.0834","0.0834","","","","","","1.166","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240072","9.7115","0.0008","20.57","0.013","6.2627","0.0007","90","","90","","90","","1251.1","0.8","293","","293","","","","290000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0266","0.0266","","0.0666","0.0666","0.0666","","","","","","0.9557","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240073","9.6376","0.0008","20.354","0.014","6.0986","0.0006","90","","90","","90","","1196.3","0.8","293","","293","","","","1030000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0332","0.0332","","0.0828","0.0828","0.0828","","","","","","0.9058","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240074","9.6249","0.0011","20.271","0.019","5.9805","0.001","90","","90","","90","","1166.8","1.1","293","","293","","","","1470000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0692","0.0692","","0.1547","0.1547","0.1547","","","","","","1.1468","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240075","9.5805","0.0009","20.129","0.016","5.8077","0.0009","90","","90","","90","","1120","0.9","293","","293","","","","2380000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0834","0.0834","","0.1883","0.1883","0.1883","","","","","","1.1635","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240076","9.5883","0.0009","20.186","0.015","5.8532","0.0009","90","","90","","90","","1132.9","0.9","293","","293","","","","1980000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0747","0.0747","","0.1705","0.1705","0.1705","","","","","","1.0492","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240077","11.7653","0.0006","15.9132","0.0008","6.9886","0.0003","90","","116.846","0.005","90","","1167.41","0.11","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 K2 N12 O16 Zn -","- C12 H16 K2 N12 O16 Zn -","- C24 H32 K4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0187","0.018","","","0.0567","0.0569","","","","","","1.17","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240078","10.6404","0.0006","16.1413","0.001","7.0699","0.0004","90","","99.247","0.006","90","","1198.48","0.12","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cd K2 N12 O16 -","- C12 H16 Cd K2 N12 O16 -","- C24 H32 Cd2 K4 N24 O32 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0198","0.0197","","","0.0514","0.0515","","","","","","1.113","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240079","11.3093","0.0009","16.4363","0.001","7.1029","0.0005","90","","104.568","0.008","90","","1277.86","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cs2 N12 O16 Zn -","- C12 H16 Cs2 N12 O16 Zn -","- C24 H32 Cs4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0332","0.0312","","","0.0827","0.084","","","","","","1.075","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240080","19.824","0.007","11.339","0.004","21.851","0.008","90","","102.489","0.005","90","","4796","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Br4 Co N8 O4 -","- C52 H36 Br4 Co N8 O4 -","- C208 H144 Br16 Co4 N32 O16 -","4","0.5","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0543","0.0326","","","0.0686","0.0748","","","","","","1","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240081","11.7985","0.0004","12.4546","0.0004","14.7712","0.0005","69.939","0.003","77.41","0.002","71.947","0.003","1923.28","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 Br4 Co N6 O4 -","- C41 H28 Br4 Co N6 O4 -","- C82 H56 Br8 Co2 N12 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.1021","0.064","","","0.1327","0.148","","","","","","1.064","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240082","11.0843","0.0007","13.9824","0.0009","17.4272","0.001","104.024","0.001","99.077","0.002","112.104","0.002","2332.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H37 Br4 Co N8 O4 -","- C52 H37 Br4 Co N8 O4 -","- C104 H74 Br8 Co2 N16 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0564","0.045","","","0.1286","0.1367","","","","","","0.978","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240083","13.846","0.003","15.903","0.004","15.702","0.004","90","","95.968","0.005","90","","3438.7","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 N4 O16 Tb -","- C36 H33 N4 O16 Tb -","- C144 H132 N16 O64 Tb4 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0215","0.021","","","0.0513","0.0517","","","","","","1.071","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240084","13.86","0.004","15.922","0.004","15.717","0.007","90","","95.973","0.005","90","","3450","2","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Gd N4 O16 -","- C36 H33 Gd N4 O16 -","- C144 H132 Gd4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0245","0.0235","","","0.0548","0.0555","","","","","","1.067","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240085","13.874","0.003","15.916","0.004","15.76","0.004","90","","96.095","0.004","90","","3460.4","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Eu N4 O16 -","- C36 H31.5 Eu N4 O16 -","- C144 H126 Eu4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0208","0.0201","","","0.0501","0.0506","","","","","","1.116","","","","has coordinates,has disorder","249165","2020-10-21","18:00:00",""
"7240086","17.2085","0.0006","12.9123","0.0005","7.4057","0.0002","90","","98.71","0.002","90","","1626.58","0.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.0218","0.0172","","","0.0384","0.0395","","","","","","1.075","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240087","10.4298","0.0016","9.44","0.0012","15.177","0.0018","90","","105.911","0.015","90","","1437","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl N4 O5 Pb -","- C12 H9 Cl N4 O5 Pb -","- C48 H36 Cl4 N16 O20 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.1149","0.0732","","","0.1579","0.1901","","","","","","0.996","","","","has coordinates,has disorder","249166","2020-10-21","18:00:00",""
"7240088","7.0192","0.0004","16.1126","0.0007","15.0998","0.0008","90","","102.955","0.004","90","","1664.28","0.15","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H24 N12 O8 Pb2 S2 -","- C28 H24 N12 O8 Pb2 S2 -","- C56 H48 N24 O16 Pb4 S4 -","2","0.5","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.045","0.0423","","","0.1043","0.1055","","","","","","1.059","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240089","12.8944","0.0011","12.8937","0.0011","12.963","0.0012","82.985","0.002","66.987","0.001","88.659","0.002","1968.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Cl2 F12 N6 P2 Ru -","- C36 H28 Cl2 F12 N6 P2 Ru -","- C72 H56 Cl4 F24 N12 P4 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1263","0.098","","","0.2296","0.2467","","","","","","1.095","","","","has coordinates","257614","2020-10-21","18:00:00",""
"7240090","11.159","0.0011","12.3059","0.0012","14.8631","0.0013","67.875","0.001","68.045","0.001","86.116","0.003","1747.3","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H31 F6 N5 O2 P Ru -","- C37 H31 F6 N5 O2 P Ru -","- C74 H62 F12 N10 O4 P2 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1327","0.0942","","","0.2165","0.237","","","","","","1.136","","","","has coordinates,has disorder","257614","2020-10-21","18:00:00",""
"7240091","13.592","0.0011","13.6081","0.0011","14.0589","0.0012","64.306","0.002","73.922","0.004","64.168","0.003","2096.6","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Cl3 F6 N5 P Ru -","- C43 H34 Cl3 F6 N5 P Ru -","- C86 H68 Cl6 F12 N10 P2 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1117","0.0635","","","0.1569","0.185","","","","","","1.046","","","","has coordinates,has disorder","257614","2020-10-21","18:00:00",""
"7240092","9.0468","0.0005","12.0453","0.0006","12.0619","0.0007","66.472","0.001","88.546","0.001","88.769","0.001","1204.65","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H49 F6 Ir2 N4 O10.5 S2 Si4 -","- C34 H48 F6 Ir2 N4 O10 S2 Si4 -","- C34 H48 F6 Ir2 N4 O10 S2 Si4 -","1","0.5","","Guzmán, Jefferson; García-Orduña, Pilar; Lahoz, Fernando J.; Fernández-Alvarez, Francisco J.","Unprecedent formation of methylsilylcarbonates from iridium-catalyzed reduction of CO2 with hydrosilanes","RSC Advances","2020","10","16","9582","9586","10.1039/D0RA00204F","","","0.71073","MoKα","","0.0134","0.0131","","","0.0323","0.0324","","","","","","1.115","","","","has coordinates","258066","2020-10-21","18:00:00",""
"7240093","11.7605","0.0007","12.7062","0.0008","37.334","0.002","90","","91.06","0.001","90","","5577.9","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 B2 O6 S5 V -","- C58 H69.124 B2 O6 S5 V -","- C232 H276.496 B8 O24 S20 V4 -","4","1","","Sakiyama, Hiroshi; Abiko, Takaaki; Yoshida, Kosuke; Shomura, Kaoru; Mitsuhashi, Ryoji; Koyama, Yoshiki; Mikuriya, Masahiro; Koikawa, Masayuki; Mitsumi, Minoru","Detailed magnetic analysis and successful deep-neural-network-based conformational prediction for [VO(dmso)5][BPh4]2","RSC Advances","2020","10","16","9678","9685","10.1039/D0RA00854K","","","0.71073","MoKα","","0.0833","0.0544","","","0.1136","0.1289","","","","","","1.027","","","","has coordinates,has disorder","258064","2020-10-21","18:00:00",""
"7240094","9.8339","0.0002","15.8974","0.0002","9.4749","0.0002","90","","114.464","0.002","90","","1348.26","0.05","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N3 S -","- C14 H21 N3 S -","- C56 H84 N12 S4 -","4","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","x-ray","1.54184","CuKα","","0.0331","0.0321","","","0.0829","0.0839","","","","","","1.062","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240095","6.7254","0.0007","10.9787","0.0005","11.9955","0.001","116.607","0.006","94.587","0.008","90.941","0.006","788.01","0.12","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 F N3 S -","- C18 H20 F N3 S -","- C36 H40 F2 N6 S2 -","2","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","","1.54184","CuKα","","0.0725","0.0652","","","0.1988","0.2034","","","","","","1.062","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240096","6.7648","0.0002","11.4551","0.0002","11.4985","0.0002","110.417","0.002","95.24","0.002","93.613","0.002","827.26","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N3 S -","- C18 H20 Br N3 S -","- C36 H40 Br2 N6 S2 -","2","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","x-ray","1.54184","CuKα","","0.0241","0.0234","","","0.061","0.0614","","","","","","1.047","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240097","16","0.002","6.7252","0.0009","30.665","0.004","90","","98.08","0.01","90","","3266.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54178","CuKα","","0.1769","0.07","","","0.139","0.1832","","","","","","1.016","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240098","8.949","0.005","21.987","0.006","8.156","0.004","90","","103.14","0.04","90","","1562.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.0743","0.0517","","","0.1309","0.1459","","","","","","1.016","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240099","14.488","0.008","6.787","0.002","16.457","0.008","90","","98.99","0.05","90","","1598.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1829","0.0616","","","0.1171","0.1586","","","","","","1","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240100","4.875","0.004","13.717","0.017","14.116","0.011","112.92","0.09","96.63","0.08","92.67","0.11","859.3","1.6","274","2","274","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C38 H36 N8 O2 -","2","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1238","0.0608","","","0.115","0.1383","","","","","","1.037","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240101","7.175","0.003","14.95","0.008","13.418","0.012","90","","95.31","0.03","90","","1433.1","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C60 H72 N16 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1043","0.0588","","","0.1132","0.1292","","","","","","1.053","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240102","8.499","0.006","8.283","0.006","23.92","0.02","90","","94.86","0.03","90","","1678","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1489","0.0868","","","0.1595","0.1848","","","","","","1.087","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240103","10.156","0.002","11.413","0.002","11.888","0.002","90","","111.69","0.03","90","","1280.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H38 N6 O8 -","- C19 H38 N6 O8 -","- C38 H76 N12 O16 -","2","1","","Locarno, Silvia; Argentiere, Simona; Ruffoni, Alessandro; Maggioni, Daniela; Soave, Raffaella; Bucci, Raffaella; Erba, Emanuela; Lenardi, Cristina; Gelmi, Maria Luisa; Clerici, Francesca","Self-assembled hydrophobic Ala-Aib peptide encapsulating curcumin: a convenient system for water insoluble drugs","RSC Advances","2020","10","17","9964","9975","10.1039/C9RA10981A","","","0.71073","MoKα","","0.0931","0.0417","","","0.0976","0.12","","","","","","0.962","","","","has coordinates","258047","2020-10-21","18:00:00",""
"7240104","16.8951","0.0003","18.5524","0.0003","10.2114","0.0002","90","","96.339","0.002","90","","3181.14","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl8 N10 O6 -","- C66 H58 Cl8 N10 O6 -","- C132 H116 Cl16 N20 O12 -","2","0.5","","Prabhakaran, Perumal; Rajakumar, Perumal","Regio- and stereoselective synthesis of spiropyrrolidine-oxindole and bis-spiropyrrolizidine-oxindole grafted macrocycles through [3 + 2] cycloaddition of azomethine ylides","RSC Advances","2020","10","17","10263","10276","10.1039/C9RA10463A","","","0.71073","MoKα","","0.07","0.0556","","","0.1332","0.1511","","","","","","1.103","","","","has coordinates,has disorder","258044","2020-10-21","18:00:00",""
"7240105","9.0376","0.0002","9.5049","0.0002","11.5608","0.0002","77.439","0.002","76.725","0.002","87.542","0.002","943.39","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","4-(5-bromopyrimidin-4-yl)phenol","","- C10 H7 Br N2 O -","- C10 H7 Br N2 O -","- C40 H28 Br4 N8 O4 -","4","2","","Shcherbakov, Stanislav S.; Magometov, Artyom Yu.; Shcherbakova, Viktoriia Yu.; Aksenov, Alexander V.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic alkylation of arenes with 5-bromopyrimidine en route to 4-aryl-5-alkynylpyrimidines","RSC Advances","2020","10","17","10315","10321","10.1039/D0RA01335H","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0762","0.078","","","","","","1.084","","","","has coordinates","258046","2020-10-21","18:00:00",""
"7240106","10.9118","0.0006","11.6167","0.0006","13.1533","0.0007","114.9","0.002","109.637","0.002","96.01","0.002","1363.93","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2.59 H2.52 N0.15 O0.15 -","- C2.59259 H2.51852 N0.148148 O0.148148 -","- C70 H68 N4 O4 -","27","13.5","","Gong, Jing; Peshkov, Anatoly A.; Yu, Jiafeng; Amandykova, Sagadat; Gimnkhan, Aidana; Huang, Jianjun; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Three-component reaction of azulene, aryl glyoxal and 1,3-dicarbonyl compound for the synthesis of various azulene derivatives","RSC Advances","2020","10","17","10113","10117","10.1039/D0RA00356E","","x-ray","0.71073","MoKα","","0.0844","0.045","","","0.0874","0.1","","","","","","1.011","","","","has coordinates","276327","2022-06-28","14:19:59",""
"7240107","7.552","0.003","22.128","0.008","7.398","0.003","90","","91.831","0.011","90","","1235.7","0.8","298","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl8 Cu2 N4 -","- C14 H22 Cl8 Cu2 N4 -","- C28 H44 Cl16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0714","0.0669","","","0.1644","0.1673","","","","","","1.231","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240108","7.9785","0.0005","10.715","0.0007","10.8206","0.0007","63.205","0.002","73.58","0.002","87.892","0.002","787.59","0.09","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0391","0.036","","","0.083","0.0859","","","","","","1.183","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240109","7.458","0.005","9.586","0.006","9.603","0.006","99.83","0.018","95.106","0.018","103.695","0.019","651.2","0.7","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1155","0.0966","","","0.2295","0.2491","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240110","7.7826","0.0018","9.85","0.002","10.106","0.002","101.146","0.006","94.713","0.006","105.848","0.006","723.7","0.3","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.067","0.0656","","","0.1968","0.1989","","","","","","1.131","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240111","12.2223","0.0006","8.3549","0.0004","13.5644","0.0007","90","","105.261","0.002","90","","1336.3","0.12","295","2","295.07","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H26 Cl8 N4 O2 Zn2 -","- C28 H52 Cl16 N8 O4 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0388","0.0356","","","0.0941","0.0968","","","","","","1.102","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240112","10.2666","0.0006","9.5232","0.0006","13.0868","0.0008","90","","106.857","0.002","90","","1224.53","0.13","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl8 N4 Zn2 -","- C14 H22 Cl8 N4 Zn2 -","- C28 H44 Cl16 N8 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71076","MoKα","","0.0287","0.0268","","","0.0648","0.0662","","","","","","1.121","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240113","8.0705","0.0006","20.8072","0.0016","7.8346","0.0006","90","","93.907","0.003","90","","1312.56","0.17","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 I4 N4 O2 -","- C16 H30 I4 N4 O2 -","- C32 H60 I8 N8 O4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0416","0.0409","","","0.0943","0.0947","","","","","","1.2","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240114","7.7157","0.0013","22.709","0.004","7.5681","0.0013","90","","90.842","0.007","90","","1325.9","0.4","273","2","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Br8 Cu2 N4 -","- C14 H22 Br8 Cu2 N4 -","- C28 H44 Br16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0744","0.0662","","","0.1533","0.1578","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240115","7.7044","0.0009","10.1649","0.0013","10.5702","0.0013","62.697","0.004","74.1","0.005","85.369","0.005","706.46","0.15","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1191","0.1129","","","0.2664","0.2697","","","","","","1.19","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240116","12.4886","0.0007","14.0071","0.0006","10.8593","0.0006","90","","114","0.006","90","","1735.38","0.18","287.86","0.1","287.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N O11 Tb -","- C14 H16 N O11 Tb -","- C56 H64 N4 O44 Tb4 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0407","0.0349","","","0.0772","0.0805","","","","","","1.048","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240117","12.4793","0.0008","13.8564","0.0006","10.7865","0.0006","90","","113.602","0.007","90","","1709.16","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Eu N O11 -","- C14 H16 Eu N O11 -","- C56 H64 Eu4 N4 O44 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0445","0.0409","","","0.0989","0.1024","","","","","","1.073","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240118","6.9735","0.0003","7.8762","0.0002","9.8077","0.0004","99.965","0.003","95.925","0.004","97.05","0.003","522.26","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 N3 O2 S -","- C11 H9 N3 O2 S -","- C22 H18 N6 O4 S2 -","2","1","","Recio, Javier; Filace, Fabiana; Gala, Elena; Pérez-Redondo, Adrián; Álvarez-Builla, Julio; Burgos, Carolina","Studies on the preparation of aminobipyridines and bipyridine sultams via an intramolecular free radical pathway","RSC Advances","2020","10","18","10447","10451","10.1039/D0RA02026E","","x-ray","0.71073","MoKα","","0.0502","0.042","","","0.1044","0.1122","","","","","","1.159","","","","has coordinates","258110","2020-10-21","18:00:00",""
"7240119","5.5415","0.0002","8.3447","0.0003","11.2281","0.0003","90","","100.172","0.001","90","","511.05","0.03","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H8 Mn Na2 O12 S2 -","- H8 Mn Na2 O12 S2 -","- H16 Mn2 Na4 O24 S4 -","2","0.5","","Ben Yahia, Hamdi; Alkhateeb, Alaa; Essehli, Rachid","Structural and thermal properties of Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2O","RSC Advances","2020","10","18","10420","10430","10.1039/D0RA00301H","","x-ray","0.71073","MoKα","","0.0204","0.018","","","0.0582","0.0601","","","","1.19","1.19","1.16","","","","has coordinates","258109","2020-10-21","18:00:00",""
"7240120","12.505","0.0008","6.4812","0.0004","10.021","0.0006","90","","106.138","0.002","90","","780.17","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H20 Na2 Ni O18 S2 -","- H20 Na2 Ni O18 S2 -","- H40 Na4 Ni2 O36 S4 -","2","0.5","","Ben Yahia, Hamdi; Alkhateeb, Alaa; Essehli, Rachid","Structural and thermal properties of Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2O","RSC Advances","2020","10","18","10420","10430","10.1039/D0RA00301H","","x-ray","0.71073","MoKα","","0.0459","0.0242","","","0.0703","0.0786","","","","1.17","1.17","1.11","","","","has coordinates","258109","2020-10-21","18:00:00",""
"7240121","7.3548","0.0011","22.501","0.003","18.552","0.003","90","","93.135","0.003","90","","3065.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C136 H104 F24 N16 O16 -","8","2","","Gao, Yanhui; Zhao, Lulu; Xiang, Tianyi; Li, Pinhua; Wang, Lei","Photoinitiated decarboxylative C3-difluoroarylmethylation of quinoxalin-2(1H)-ones with potassium 2,2-difluoro-2-arylacetates in water","RSC Advances","2020","10","18","10559","10568","10.1039/D0RA02059A","","","0.71073","MoKα","","0.1032","0.0553","","","0.1259","0.1529","","","","","","1.008","","","","has coordinates","258108","2020-10-21","18:00:00",""
"7240122","10.2608","0.0018","10.32","0.002","12.223","0.003","74.779","0.006","77.127","0.006","76.006","0.008","1194.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl2 N3 Ru S2 -","- C24 H25 Cl2 N3 Ru S2 -","- C48 H50 Cl4 N6 Ru2 S4 -","2","1","","Mansour, Ahmed M.; Radacki, Krzysztof","Experimental and DFT studies of sulfadiazine ‘piano-stool’ Ru(ii) and Rh(iii) complexes","RSC Advances","2020","10","18","10673","10680","10.1039/D0RA01085E","","","0.71073","MoKα","","0.0438","0.0397","","","0.0886","0.0912","","","","","","1.047","","","","has coordinates","258107","2020-10-21","18:00:00",""
"7240123","7.177","0.001","13.26","0.001","9.786","0.001","90","","100.09","0.01","90","","916.9","0.18","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","La(IO3)3.H2O","","","- I3 La O10 -","- I3 La O10 -","- I12 La4 O40 -","4","1","","Regny, Sylvain; Suffren, Yan; Leynaud, Olivier; Gautier-Luneau, Isabelle; Dantelle, Geraldine","Evidence of reaction intermediates in microwave-assisted synthesis of SHG active α La(IO3)3 nanocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00156B","","x-ray","0.56087","AgKα","","0.0301","0.0239","","","0.0417","0.0436","","","","","","1.207","","","","has coordinates","249382","2020-10-21","18:00:00",""
"7240124","11.6301","0.0011","13.366","0.0012","15.5869","0.0013","98.161","0.001","101.089","0.002","101.148","0.002","2292.1","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1331","0.0815","","","0.2058","0.2284","","","","","","0.923","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240125","14.108","0.0013","15.0509","0.0014","16.3421","0.0015","97.136","0.001","108.793","0.002","104.501","0.002","3099.9","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1372","0.0789","","","0.1943","0.2223","","","","","","0.973","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240126","24.951","0.003","24.951","0.003","34.647","0.005","90","","90","","90","","21570","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C84 H90 N12 O6 -","- C84 H90 N12 O6 -","- C672 H720 N96 O48 -","8","1","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","synchrotronMonochr","","0.1283","0.1126","","","0.2724","0.2831","","","","","","1.076","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240127","18.197","0.002","18.1795","0.0016","23.1831","0.0019","90","","100.957","0.006","90","","7529.4","1.2","123","2","123","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C124 H144 N16 O8 -","- C124 H144 N16 O8 -","- C248 H288 N32 O16 -","2","0.5","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","MoKα","","0.1025","0.0656","","","0.1575","0.1698","","","","","","1.012","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240128","15.7706","0.0004","15.7706","0.0004","23.9901","0.0014","90","","90","","90","","5966.6","0.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H80 N8 O8 -","- C62 H80 N8 O8 -","- C248 H320 N32 O32 -","4","0.5","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","MoKα","","0.0579","0.0474","","","0.1117","0.1167","","","","","","1.052","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240129","10.1207","0.0004","10.7427","0.0005","27.9069","0.0012","99.871","0.004","90.774","0.004","117.159","0.005","2645","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H89 N3 O13.5 V3 -","- C47 H89 N3 O13.5 V3 -","- C94 H178 N6 O27 V6 -","2","1","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","x-ray","0.71073","MoKα","","0.0768","0.0511","","","0.09","0.0995","","","","","","1.036","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240130","21.392","0.0012","10.9779","0.0007","19.1098","0.0011","90","","105.252","0.002","90","","4329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H132 N6 O23 V6 -","- C74 H132 N6 O23 V6 -","- C148 H264 N12 O46 V12 -","2","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.2423","0.1347","","","0.2015","0.2445","","","","","","1.113","","","","has coordinates","249394","2020-10-21","18:00:00",""
"7240131","13.709","0.002","13.919","0.002","19.53","0.003","97.532","0.002","93.12","0.003","99.117","0.002","3637","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","1","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.1008","0.0627","","","0.1589","0.1881","","","","","","1.001","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240132","15.3693","0.0012","15.3693","0.0012","10.1723","0.0008","90","","90","","90","","2402.9","0.3","173","2","173","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C32 H40 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","1","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0529","0.0492","","","0.1479","0.1535","","","","","","1.102","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240133","18.1416","0.0015","18.1416","0.0015","9.9851","0.0007","90","","90","","90","","3286.3","0.4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H16 B12 Cu N8 -","- C20 H16 B12 Cu N8 -","- C40 H32 B24 Cu2 N16 -","2","0.25","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0971","0.0734","","","0.1931","0.2107","","","","","","0.983","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240134","28.36","0.003","16.0571","0.0015","20.1217","0.0019","90","","134.052","0.004","90","","6585.5","1.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 B12 Cu N8 -","- C20 H28 B12 Cu N8 -","- C160 H224 B96 Cu8 N64 -","8","1","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.15","0.1116","","","0.291","0.3138","","","","","","1.078","","","","has coordinates","249423","2020-10-21","18:00:00",""
"7240135","13.6129","0.0006","13.6129","0.0006","10.061","0.0006","90","","90","","90","","1864.41","0.16","253","2","253","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C6 H7 B3 Cu0.25 N -","- C6 H7 B3 Cu0.25 N -","- C24 H28 B12 Cu N4 -","4","0.5","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0477","0.0467","","","0.1596","0.1607","","","","","","1.013","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240136","15.6766","0.001","15.6766","0.001","20.1231","0.0016","90","","90","","90","","4945.4","0.6","193","2","193","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C20 H28 B12 Cu N4 -","- C20 H28.0008 B12.0008 Cu N4 -","- C80 H112.003 B48.0032 Cu4 N16 -","4","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0603","0.0492","","","0.1513","0.1597","","","","","","0.988","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240137","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240138","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240139","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240140","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240141","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240142","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240143","32.758","0.005","6.9308","0.001","15.972","0.002","90","","113.128","0.005","90","","3334.8","0.8","296","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Co2 Mo2 N12 O13 -","- C28 H26 Co2 Mo2 N12 O13 -","- C112 H104 Co8 Mo8 N48 O52 -","4","0.5","","Wang, Xiuli; Pan, Xiang; Wang, Xiang; Li, Yan; Liu, Guocheng","Two rare {M2(MoO4)2}n chain-containing molybdate-based metal‒organic complexes with a bis-pyrazole-bis-amide ligand: fluorescent sensing and photocatalysis performance","RSC Advances","2020","10","19","11046","11053","10.1039/D0RA01420F","","","0.71073","MoKα","","0.0812","0.0466","","","0.1033","0.1166","","","","","","1.007","","","","has coordinates","258057","2020-10-21","18:00:00",""
"7240144","32.805","0.004","7.002","0.0008","15.9094","0.0019","90","","112.537","0.004","90","","3375.3","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Mo2 N12 O13 P0 Zn2 -","- C28 H24 Mo2 N12 O13 Zn2 -","- C112 H96 Mo8 N48 O52 Zn8 -","4","0.5","","Wang, Xiuli; Pan, Xiang; Wang, Xiang; Li, Yan; Liu, Guocheng","Two rare {M2(MoO4)2}n chain-containing molybdate-based metal‒organic complexes with a bis-pyrazole-bis-amide ligand: fluorescent sensing and photocatalysis performance","RSC Advances","2020","10","19","11046","11053","10.1039/D0RA01420F","","","0.71073","MoKα","","0.0754","0.0383","","","0.0728","0.0846","","","","","","0.943","","","","has coordinates","258057","2020-10-21","18:00:00",""
"7240145","18.753","0.002","17.8461","0.0013","15.4856","0.0015","90","","115.938","0.013","90","","4660.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H76 Cu2 Fe N14 O10 -","- C26 H76 Cu2 Fe N14 O10 -","- C104 H304 Cu8 Fe4 N56 O40 -","4","0.5","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1008","0.0739","","","0.2057","0.2333","","","","","","1.051","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240146","11.7106","0.0014","14.7097","0.0015","16.8351","0.0019","101.737","0.009","110.012","0.011","104.303","0.01","2504.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H47.5 Cu Fe N12.5 O3 -","- C33.5 H47 Cu Fe N12.5 O3 -","- C67 H94 Cu2 Fe2 N25 O6 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1334","0.0857","","","0.2593","0.3082","","","","","","0.959","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240147","9.4783","0.0013","16.388","0.003","16.592","0.002","111.53","0.014","101.926","0.012","106.101","0.013","2161.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 Mo N17 O2 -","- C30 H63 Cu2 Mo N17 O2 -","- C60 H126 Cu4 Mo2 N34 O4 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0667","0.047","","","0.0987","0.1089","","","","","","1.025","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240148","9.1335","0.0014","13.1615","0.0008","16.0651","0.0019","109.386","0.008","99.006","0.011","98.3","0.009","1758.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cr Cu1.5 N12 O4 -","- C20 H48 Cr Cu1.5 N12 O4 -","- C40 H96 Cr2 Cu3 N24 O8 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0954","0.0743","","","0.2146","0.239","","","","","","1.058","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240149","9.4179","0.0004","16.2543","0.0009","16.2716","0.0008","110.907","0.005","101.897","0.004","106.357","0.004","2098","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 N17 O2 W -","- C30 H63 Cu2 N17 O2 W -","- C60 H126 Cu4 N34 O4 W2 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","1.54178","CuKα","","0.0356","0.0333","","","0.0867","0.0891","","","","","","1.055","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240150","12.6416","0.001","14.7984","0.0014","38.007","0.003","90","","90.598","0.006","90","","7109.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C240 H336 Cl8 Cu8 Fe8 N80 O56 -","4","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1574","0.0918","","","0.2141","0.267","","","","","","1.03","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240151","7.02521","0.00013","19.6681","0.0004","12.9331","0.0002","90","","90.7338","0.0007","90","","1786.85","0.06","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Ciprofloxacin Hydrochloride 1.43 Hydrate","Ciprofloxacin Hydrochloride 1.43 Hydrate","","- C17 H21.86 Cl F N3 O4.43 -","- C17 H21.86 Cl F N3 O4.43 -","- C68 H87.44 Cl4 F4 N12 O17.72 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","","1.54186","CuKα","","0.0413","0.0388","","","0.104","0.1068","","","","","","1.09","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240152","12.4523","0.0002","6.91819","0.00013","19.4137","0.0004","90","","101.294","0.0009","90","","1640.05","0.05","173","2","173","2","","","101.3","","","","","6","P 1 21/c 1","-P 2ybc","14","Ciprofloxacin Hydrochloride Anhydrous Form II","Ciprofloxacin Hydrochloride Anhydrous Form II","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C68 H76 Cl4 F4 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","x-ray","1.54186","CuKα","","0.0624","0.0497","","","0.1284","0.1396","","","","","","1.141","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240153","18.1041","0.0006","7.3009","0.00017","26.2525","0.001","90","","90","","90","","3469.96","0.19","298","","298","","","","101.3","","","","","6","P b c a","-P 2ac 2ab","61","Ciprfloxacin Hydrochloride Anhydrous Form I","Ciprfloxacin Hydrochloride Anhydrous Form I","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C136 H152 Cl8 F8 N24 O24 -","8","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","powder diffraction","x-ray","1.19621","synchrotron","","","","","","","","0.08626","","1.74","","","","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240154","13.96","0.02","14.47","0.02","21.07","0.03","86.75","0.017","80.221","0.016","88.827","0.016","4187","10","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H124 Cr4 Gd8 N18 O71 -","- C108 H118 Cr4 Gd8 N18 O71 -","- C108 H118 Cr4 Gd8 N18 O71 -","1","0.5","","Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan","Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure","RSC Advances","2020","10","19","11365","11370","10.1039/D0RA01524E","","","0.71073","MoKα","","0.0436","0.0346","","","0.0931","0.1007","","","","","","1.061","","","","has coordinates","258060","2020-10-21","18:00:00",""
"7240155","13.7114","0.0008","14.2047","0.0008","20.6032","0.0012","86.557","0.001","80.096","0.001","88.562","0.001","3945.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H124 Cr4 N18 O71 Tb8 -","- C108 H118 Cr4 N18 O71 Tb8 -","- C108 H118 Cr4 N18 O71 Tb8 -","1","0.5","","Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan","Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure","RSC Advances","2020","10","19","11365","11370","10.1039/D0RA01524E","","","0.71073","MoKα","","0.0353","0.031","","","0.0871","0.0899","","","","","","1.1","","","","has coordinates","258060","2020-10-21","18:00:00",""
"7240156","21.778","0.005","15.214","0.003","19.916","0.005","90","","103.5","0.004","90","","6416","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Co N6 O6 -","- C33 H24 Co N6 O6 -","- C264 H192 Co8 N48 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.1025","0.0627","","","0.1835","0.2216","","","","","","1.069","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240157","21.683","0.003","15.164","0.003","19.852","0.003","90","","102.807","0.004","90","","6365","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 Ni O6 -","- C33 H24 N6 Ni O6 -","- C264 H192 N48 Ni8 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0727","0.0513","","","0.1501","0.1619","","","","","","1.014","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240158","21.622","0.002","15.2587","0.0017","19.882","0.002","90","","104.271","0.002","90","","6357.1","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 O6 Zn -","- C33 H24 N6 O6 Zn -","- C264 H192 N48 O48 Zn8 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0923","0.0685","","","0.2126","0.2403","","","","","","0.833","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240159","22.2681","0.0009","14.5955","0.0006","20.1069","0.0008","90","","101.719","0.002","90","","6398.8","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl Co N4 O3 -","- C38 H30 Cl Co N4 O3 -","- C304 H240 Cl8 Co8 N32 O24 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","1.34139","GaKα","","0.0541","0.0438","","","0.1144","0.1216","","","","","","1.046","","","","has coordinates","249644","2020-10-21","18:00:00",""
"7240160","10.1043","0.0008","12.8257","0.0009","12.9176","0.0009","90","","104.397","0.008","90","","1621.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl7 N O2 -","- C30 H26 Cl7 N O2 -","- C60 H52 Cl14 N2 O4 -","2","1","","Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.","Efficient iron catalyzed ligand-free access to acridines and acridinium ions","Green Chemistry","2020","22","10","3178","3185","10.1039/D0GC00617C","","x-ray","0.71073","MoKα","","0.107","0.0895","","","0.2242","0.2535","","","","","","1.047","","","","has coordinates","257572","2020-10-21","18:00:00",""
"7240161","8.2718","0.0008","10.4182","0.0009","13.163","0.0011","113.112","0.008","93.907","0.007","91.575","0.008","1039.06","0.17","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F N O2 -","- C27 H22 F N O2 -","- C54 H44 F2 N2 O4 -","2","1","","Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.","Efficient iron catalyzed ligand-free access to acridines and acridinium ions","Green Chemistry","2020","22","10","3178","3185","10.1039/D0GC00617C","","","1.54184","CuKα","","0.1112","0.0926","","","0.2442","0.2934","","","","","","1.0727","","","","has coordinates","257572","2020-10-21","18:00:00",""
"7240162","11.29376","0.00013","7.62235","0.00009","6.81817","0.00008","90","","90","","90","","586.942","0.012","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ammine_Magnesium_Borohydride","","","- B2 H11 Mg N -","- B2 H11 Mg N -","- B8 H44 Mg4 N4 -","4","0.5","","Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R.","The mechanism of Mg<sup>2+</sup> conduction in ammine magnesium borohydride promoted by a neutral molecule.","Physical chemistry chemical physics : PCCP","2020","22","17","9204","9209","10.1039/d0cp00158a","powder diffraction","","","Synchrotron","","","","","","","","","5.4605","12.5","","","","","","","has coordinates","253994","2020-10-21","18:00:00",""
"7240163","7.9785","0.0003","12.9974","0.0005","15.954","0.0006","90","","90.022","0.004","90","","1654.43","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(2,4-pentanedionato-O,O')-vanadium(iii)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C60 H84 O24 V4 -","4","1","","Andersen, Anders B. A.; Pyykkönen, Ari; Jensen, Hans Jørgen Aa; McKee, Vickie; Vaara, Juha; Nielsen, Ulla Gro","Remarkable reversal of <sup>13</sup>C-NMR assignment in d<sup>1</sup>, d<sup>2</sup> compared to d<sup>8</sup>, d<sup>9</sup> acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations.","Physical chemistry chemical physics : PCCP","2020","22","15","8048","8059","10.1039/d0cp00980f","","x-ray","1.54184","CuKα","","0.0474","0.0465","","","0.1274","0.1291","","","","","","1.064","","","","has coordinates","251738","2020-10-21","18:00:00",""
"7240164","9.334","0.0002","9.334","0.0002","45.4665","0.0014","90","","90","","120","","3430.5","0.15","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Gd12 Li33 O90 Rb3 Te18 -","- Gd12 Li33 O90 Rb3 Te18 -","- Gd24 Li66 O180 Rb6 Te36 -","2","0.0555556","","Zhu, Zhi-An; He, Yu-Cong; Lv, Yang-Yang; Feng, Jiang-He; Zhou, Jian","Synthesis, structure, and electronic properties of the Li11RbGd4Te6O30 single crystal","RSC Advances","2020","10","19","11450","11454","10.1039/C9RA10163B","","","0.71073","MoKα","","0.02","0.019","","","0.0452","0.0456","","","","","","1.2","","","","has coordinates","258059","2020-10-21","18:00:00",""
"7240165","10.4559","0.0001","9.2217","0.0001","14.0803","0.0002","90","","90","","90","","1357.64","0.03","400","","400","","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","0.5","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","powder diffraction","","0.61872","Synchrotron","","","","","","","","","0.078","3.999","","","","","","","has coordinates,has disorder","258058","2020-10-21","18:00:00",""
"7240166","6.541","0.005","14.158","0.005","13.351","0.005","90","","95.59","0.005","90","","1230.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","","","0.71073","MoKα","","0.0658","0.0528","","","0.1365","0.1445","","","","","","1.158","","","","has coordinates","258058","2020-10-21","18:00:00",""
"7240167","6.6159","0.0002","14.2024","0.0003","13.5728","0.0003","90","","95.905","0.002","90","","1268.56","0.05","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","powder diffraction","","0.61872","Synchrotron","","","","","","","","","0.079","2.771","","","","","","","has coordinates,has disorder","258058","2020-10-21","18:00:00",""
"7240168","8.5063","0.0001","25.6914","0.0004","24.6665","0.0003","90","","96.623","0.001","90","","5354.61","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 F18 N3 O3 P3 -","- C42 H57 Br3 F18 N3 O3 P3 -","- C168 H228 Br12 F72 N12 O12 P12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.1054","0.0971","","","0.2696","0.2784","","","","","","1.053","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240169","16.8999","0.0001","16.8999","0.0001","10.9253","0.0001","90","","90","","120","","2702.29","0.03","150","","150","","","","","","","","synthesized","5","P -3","-P 3","147","","","","- C44 H60 I6 N4 O3 -","- C44 H60 I6 N4 O3 -","- C88 H120 I12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","1.54184","CuKα","","0.0565","0.0555","","0.1516","0.1507","0.1516","","","","","","1.1564","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240170","16.5773","0.0001","16.5773","0.0001","10.4913","0.0001","90","","90","","120","","2496.82","0.03","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C44 H60 Br6 N4 O3 -","- C44 H59.9997 Br6 N4 O3 -","- C88 H119.999 Br12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.0431","0.0406","","","0.1358","0.139","","","","","","1.192","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240171","16.639","0.002","16.639","0.002","10.57","0.002","90","","90","","120","","2534.3","0.6","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C44 H60 Br3 I3 N4 O3 -","- C44 H60 Br3 I3 N4 O3 -","- C88 H120 Br6 I6 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.0441","0.0427","","","0.1059","0.107","","","","","","1.0414","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240172","8.544","0.0001","23.43","0.0002","27.3585","0.0003","90","","97.054","0.001","90","","5435.33","0.1","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C172 H244 Cl4 F48 I12 N12 O16 P8 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.064","0.0598","","","0.1599","0.1649","","","","","","1.03","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240173","24.671","0.005","8.876","0.0018","23.946","0.005","90","","101.26","0.03","90","","5142.8","1.9","100","","100","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C168 H228 Br6 F36 I12 N12 O12 P6 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.1829","0.0812","","","0.2165","0.2833","","","","","","1.0269","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240174","14.104","0.005","25.266","0.009","14.735","0.004","90","","115.28","0.019","90","","4748","3","100","","100","","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Br3 Cl3 N3 O5 -","- C42 H61 Br3 Cl3 N3 O5 -","- C168 H244 Br12 Cl12 N12 O20 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.2214","0.126","","0.2648","0.2148","0.2513","","","","","","1.021","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240175","14.822","0.003","20.352","0.004","17.306","0.004","90","","112.82","0.03","90","","4812","2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 I3 N3 O3 -","- C42 H57 Br3 I3 N3 O3 -","- C168 H228 Br12 I12 N12 O12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","MoKα","","0.0595","0.0513","","","0.1392","0.1451","","","","","","1.0291","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240176","12.04747","0.00016","12.04747","0.00016","12.04747","0.00016","90","","90","","90","","1748.59","0.04","298","2","298","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H9.5001 Fe N0.75 O6.25005 -","- C36 H76.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.05","0.0373","","","0.1001","0.1066","","","","","","1.104","","","","has coordinates,has disorder","249690","2020-10-21","18:00:00",""
"7240177","12.0219","0.0008","12.0219","0.0008","12.0219","0.0008","90","","90","","90","","1737.5","0.2","240","0.4","240","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0429","0.0361","","","0.0895","0.0961","","","","","","1.078","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240178","11.9923","0.0003","11.9923","0.0003","11.9923","0.0003","90","","90","","90","","1724.68","0.07","80","0.9","80","0.9","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0499","0.0437","","","0.1029","0.1051","","","","","","1.234","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240179","12.0296","0.0007","12.0296","0.0007","12.0296","0.0007","90","","90","","90","","1740.82","0.18","260","0.6","260","0.6","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.046","0.0382","","","0.0953","0.104","","","","","","1.161","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240180","12.0082","0.0007","12.0082","0.0007","12.0082","0.0007","90","","90","","90","","1731.54","0.17","180","0.3","180","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0413","0.0348","","","0.0849","0.0883","","","","","","1.215","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240181","12.0051","0.0006","12.0051","0.0006","12.0051","0.0006","90","","90","","90","","1730.2","0.15","160","0.3","160","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0432","0.0368","","","0.092","0.0977","","","","","","1.238","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240182","12.035","0.0006","12.035","0.0006","12.035","0.0006","90","","90","","90","","1743.16","0.15","300","0.7","300","0.7","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0744","0.0567","","","0.1784","0.2185","","","","","","1.177","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240183","12.0077","0.0003","12.0077","0.0003","12.0077","0.0003","90","","90","","90","","1731.33","0.07","200","0.4","200","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0358","0.0335","","","0.0844","0.0855","","","","","","1.205","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240184","11.9986","0.0007","11.9986","0.0007","11.9986","0.0007","90","","90","","90","","1727.4","0.17","120","0.3","120","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0441","0.0366","","","0.086","0.0917","","","","","","1.231","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240185","12.0121","0.0009","12.0121","0.0009","12.0121","0.0009","90","","90","","90","","1733.2","0.2","220","0.4","220","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0416","0.0358","","","0.0891","0.0933","","","","","","1.106","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240186","12.0016","0.0007","12.0016","0.0007","12.0016","0.0007","90","","90","","90","","1728.69","0.17","140","0.3","140","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0422","0.0367","","","0.086","0.0893","","","","","","1.183","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240187","15.016","0.0017","15.963","0.0014","16.766","0.0016","62.226","0.003","67.513","0.003","79.132","0.004","3285.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H81 N4 O16 S4 Tb -","- C60 H81 N4 O16 S4 Tb -","- C120 H162 N8 O32 S8 Tb2 -","2","1","","Ovsyannikov, A. S.; Khariushin, I. V.; Solovieva, S. E.; Antipin, I. S.; Komiya, H.; Marets, N.; Tanaka, H.; Ohmagari, H.; Hasegawa, M.; Zakrzewski, J. J.; Chorazy, S.; Kyritsakas, N.; Hosseini, M. W.; Ferlay, S.","Mixed Tb/Dy coordination ladders based on tetra(carboxymethyl)thiacalix[4]arene: a new avenue towards luminescent molecular nanomagnets","RSC Advances","2020","10","20","11755","11765","10.1039/D0RA01263G","","","0.71073","MoKα","","0.0708","0.0494","","","0.1073","0.1186","","","","","","1.011","","","","has coordinates,has disorder","258074","2020-10-21","18:00:00",""
"7240188","15.0091","0.0017","15.9798","0.0018","16.7401","0.0018","62.217","0.005","67.626","0.005","79.181","0.006","3284.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H81 Dy N4 O16 S4 -","- C60 H81 Dy N4 O16 S4 -","- C120 H162 Dy2 N8 O32 S8 -","2","1","","Ovsyannikov, A. S.; Khariushin, I. V.; Solovieva, S. E.; Antipin, I. S.; Komiya, H.; Marets, N.; Tanaka, H.; Ohmagari, H.; Hasegawa, M.; Zakrzewski, J. J.; Chorazy, S.; Kyritsakas, N.; Hosseini, M. W.; Ferlay, S.","Mixed Tb/Dy coordination ladders based on tetra(carboxymethyl)thiacalix[4]arene: a new avenue towards luminescent molecular nanomagnets","RSC Advances","2020","10","20","11755","11765","10.1039/D0RA01263G","","","0.71073","MoKα","","0.0756","0.0557","","","0.1391","0.1559","","","","","","1.057","","","","has coordinates,has disorder","258074","2020-10-21","18:00:00",""
"7240189","9.9101","0.0006","11.7555","0.0005","15.8011","0.0005","73.569","0.003","88.693","0.004","65.351","0.005","1595.15","0.15","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 Dy2 N6 O16 S2 -","- C62 H64 Dy2 N6 O16 S2 -","- C62 H64 Dy2 N6 O16 S2 -","1","0.5","","Yu, Shui; Zhang, Qinhua; Hu, Huancheng; Chen, Zilu; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Tuning slow magnetic relaxation behaviour in a {Dy2}-based one-dimensional chain via crystal field perturbation","RSC Advances","2020","10","20","11831","11835","10.1039/D0RA01604G","","x-ray","0.71073","MoKα","","0.051","0.0459","","","0.1351","0.1419","","","","","","1.066","","","","has coordinates","258075","2020-10-21","18:00:00",""
"7240190","9.9272","0.0002","11.8458","0.0004","15.0341","0.0004","83.259","0.003","82.471","0.002","76.012","0.002","1693.96","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Dy2 N4 O20 -","- C64 H68 Dy2 N4 O20 -","- C64 H68 Dy2 N4 O20 -","1","0.5","","Yu, Shui; Zhang, Qinhua; Hu, Huancheng; Chen, Zilu; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Tuning slow magnetic relaxation behaviour in a {Dy2}-based one-dimensional chain via crystal field perturbation","RSC Advances","2020","10","20","11831","11835","10.1039/D0RA01604G","","x-ray","0.71073","MoKα","","0.0369","0.0356","","","0.1048","0.1068","","","","","","1.105","","","","has coordinates","258075","2020-10-21","18:00:00",""
"7240191","9.4436","0.0006","9.3899","0.0006","11.6167","0.0008","90","","91.155","0.006","90","","1029.9","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C36 H52 N4 O16 -","2","1","","Wang, Hao; Tian, Di; Meng, Zhaoxiang; Chen, Zhihao; Xue, Fei; Liu, Xiao-Yu; Song, Hao; Qin, Yong","Synthetic progress toward the marine natural product zamamiphidin A","RSC Advances","2020","10","20","11903","11906","10.1039/D0RA01580F","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.0951","0.1109","","","","","","1.066","","","","has coordinates,has disorder","258077","2020-10-21","18:00:00",""
"7240192","11.592","0.014","8.138","0.01","11.045","0.014","90","","114.12","0.02","90","","951","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 F N6 O6 -","- C4 H5 F N6 O6 -","- C16 H20 F4 N24 O24 -","4","1","","Huo, Huan; Zhang, Junlin; Dong, Jun; Zhai, Lianjie; Guo, Tao; Wang, Zijun; Bi, Fuqiang; Wang, Bozhou","A promising insensitive energetic material based on a fluorodinitromethyl explosophore group and 1,2,3,4-tetrahydro-1,3,5-triazine: synthesis, crystal structure and performance","RSC Advances","2020","10","20","11816","11822","10.1039/D0RA00474J","","","0.71073","MoKα","","0.1924","0.0751","","","0.1752","0.2415","","","","","","0.949","","","","has coordinates","258078","2020-10-21","18:00:00",""
"7240193","5.7544","0.0009","5.7537","0.0005","12.7881","0.0011","90","","89.93","0.03","90","","423.4","0.08","298.15","","298.15","","","","","","","","mechanochemical synthesis","5","C 1 2 1","C 2y","5","'strontium fluorine acetate","","strontium fluorine acetate","- C4 H6 F O4 Sr2 -","- C4 H6 F O4 Sr2 -","- C8 H12 F2 O8 Sr4 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1Kα2","","","","","","","","","1.656","12.562","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240194","12.757","0.002","4.129","0.0008","4.1284","0.0009","90","","90.058","0.016","90","","217.46","0.07","303","","303","","","","","","","","mechanochemical synthesis","5","P 1 21 1","P 2yb","4","lead fluorine acetate","","lead fluorine acetate","- C2 H3 F O2 Pb -","- C2 H3 F O2 Pb -","- C4 H6 F2 O4 Pb2 -","2","1","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.6","3.35","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240195","6.0948","0.0003","6.0953","0.0003","12.937","0.0006","90","","89.996","0.003","90","","480.6","0.04","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C4 H6 Ba2 F O4 -","- C4 H6 Ba2 F O4 -","- C8 H12 Ba4 F2 O8 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0414","3.68277","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240196","5.7523","0.0002","19.3159","0.0007","8.7036","0.0004","90","","97.524","0.004","90","","958.74","0.07","298","1","298","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.5","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0482","0.0413","","","0.1086","0.1144","","","","","","1.039","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240197","11.9012","0.0007","17.1124","0.0008","7.6347","0.0003","90","","93.574","0.003","90","","1551.84","0.13","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0699","0.0523","","","0.1295","0.1387","","","","","","1.066","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240198","12.26148","0.0001","12.26148","0.0001","12.26148","0.0001","90","","90","","90","","1843.44","0.03","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al2.3 Ga2.7 Gd3 O12 -","- Al2.301 Ga2.699 Gd3 O12 -","- Al18.408 Ga21.592 Gd24 O96 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0541","0.0495","","0.0591","0.0584","","","","4","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240199","12.4372","0.0001","12.4372","0.0001","12.4372","0.0001","90","","90","","90","","1923.84","0.03","293","","293","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Al1.271 Ga2.1 Gd3 O12 Sc1.629 -","- Al1.272 Ga2.098 Gd3 O12 Sc1.63 -","- Al10.176 Ga16.784 Gd24 O96 Sc13.04 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0551","0.0482","","0.0573","0.057","","","","5.52","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240200","9.0757","0.0003","11.0502","0.0004","11.7199","0.0005","103.378","0.003","105.493","0.003","104.407","0.003","1039.69","0.08","100","2","100","2","","","101.3","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","1","1","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0563","0.0429","","","0.1019","0.1071","","","","","","1.049","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240201","9.1429","0.0004","11.095","0.0005","11.6725","0.0005","103.187","0.004","105.203","0.004","104.668","0.004","1048.93","0.09","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0839","0.0515","","","0.1096","0.1252","","","","","","1.021","","","","has coordinates,has disorder","249721","2020-10-21","18:00:00",""
"7240202","9.4219","0.0006","11.2659","0.0006","11.5862","0.0006","107.504","0.004","100.89","0.005","104.746","0.005","1086.25","0.12","410","2","410","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.1755","0.0692","","","0.1515","0.2004","","","","","","1.01","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240203","15.6052","0.0005","15.8374","0.0006","18.1718","0.0005","90","","90","","90","","4491.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-62","Zn(Im)1.72(bIm)0.28","","- C16.69 H18.62 N8 O0.83 Zn2 -","- C16.774 H19.807 N8 O0.827 Zn2 -","- C134.192 H158.456 N64 O6.616 Zn16 -","8","1","","Thorne, Michael F.; Gómez, María Laura Ríos; Bumstead, Alice M.; Li, Shichun; Bennett, Thomas D.","Mechanochemical synthesis of mixed metal, mixed linker, glass-forming metal–organic frameworks","Green Chemistry","2020","22","8","2505","2512","10.1039/D0GC00546K","","x-ray","1.54184","CuKα","","0.0503","0.045","","","0.1313","0.1374","","","","","","1.054","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7240204","30.7919","0.0005","5.80932","0.00008","9.90381","0.00015","90","","96.4675","0.0015","90","","1760.32","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N8 O2 -","- C19 H18 N8 O2 -","- C76 H72 N32 O8 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0461","0.043","","","0.1147","0.1173","","","","","","1.028","","","","has coordinates,has disorder","258116","2020-10-21","18:00:00",""
"7240205","8.2628","0.0002","9.9451","0.0002","12.8729","0.0003","74.307","0.002","74.059","0.002","79.348","0.002","972.22","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N7 O4 -","- C21 H19 N7 O4 -","- C42 H38 N14 O8 -","2","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0382","0.0365","","","0.098","0.0996","","","","","","1.061","","","","has coordinates","258116","2020-10-21","18:00:00",""
"7240206","5.6978","0.0001","21.2347","0.0003","16.1672","0.0002","90","","98.561","0.001","90","","1934.29","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl N6 O2 -","- C21 H19 Cl N6 O2 -","- C84 H76 Cl4 N24 O8 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0448","0.0419","","","0.1168","0.1189","","","","","","1.0284","","","","has coordinates","258116","2020-10-21","18:00:00",""
"7240207","8.4509","0.0001","8.4509","0.0001","4.7354","0.0002","90","","90","","90","","338.191","0.015","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","a-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O5 P -","- Al4 Na4 O20 P4 -","4","0.5","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","1.54178","CuKα","","0.0598","0.0498","","","0.1544","0.1793","","","","","","1.227","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240208","6.1977","0.0002","6.1977","0.0002","10.3826","0.0009","90","","90","","90","","398.81","0.04","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","b-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O4.996 P -","- Al4 Na4 O19.984 P4 -","4","0.125","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0715","0.07","","","0.1846","0.1856","","","","","","1.368","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240209","7.8692","0.0005","7.8692","0.0005","7.0721","0.0006","90","","90","","120","","379.26","0.05","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al1.17 O6.33 P1.83 -","- Al1.16667 O6.416 P1.8334 -","- Al3.5 O19.248 P5.5002 -","3","0.25","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0362","0.0254","","","0.0515","0.0538","","","","","","1.076","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240210","9.5596","0.0004","34.5438","0.001","9.0322","0.0003","90","","113.902","0.005","90","","2726.9","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine bis(2-Methyl-5-(propan-2-yl)phenol)","","- C33 H37 N O2 -","- C33 H37 N O2 -","- C132 H148 N4 O8 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.71073","MoKα","","0.0896","0.057","","","0.1202","0.1359","","","","","","1.051","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240211","12.1372","0.0001","9.1209","0.0001","17.2439","0.0002","90","","108.629","0.001","90","","1808.92","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine 5-Methyl-2-(propan-2-yl)phenol","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.7","synchrotron","","0.0629","0.0617","","","0.1611","0.1627","","","","","","1.104","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240212","6.7908","0.0001","22.7451","0.0004","32.026","0.0007","90","","90","","90","","4946.65","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H90 O3 -","- C54 H90 O3 -","- C216 H360 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","1.54178","CuKα","","0.0687","0.0528","","","0.1337","0.1452","","","","","","1.031","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240213","6.9042","0.0008","22.803","0.003","31.694","0.004","90","","90","","90","","4989.8","1.1","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H92 O3 -","- C54 H92 O3 -","- C216 H368 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","0.71073","MoKα","","0.1245","0.0683","","","0.1497","0.1773","","","","","","1.011","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240214","7.9995","0.0003","14.2069","0.0006","21.3942","0.0009","90","","100.552","0.004","90","","2390.29","0.17","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C124 H112 N8 O8 -","4","1","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.0762","0.0494","","","0.1291","0.1452","","","","","","1.023","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240215","9.3283","0.0007","10.2674","0.0008","13.0289","0.0009","79.338","0.006","87.728","0.006","73.749","0.007","1177.23","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C62 H56 N4 O4 -","2","1","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.0951","0.0512","","","0.1261","0.1545","","","","","","1.011","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240216","12.0942","0.0009","14.502","0.0009","28.554","0.002","90","","90.589","0.007","90","","5007.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C248 H224 N16 O16 -","8","2","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.1862","0.0883","","","0.2589","0.3318","","","","","","1.005","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240217","5.345","0.0001","8.3039","0.0002","18.8962","0.0004","101.923","0.002","93.255","0.002","98.322","0.002","808.7","0.03","170","0.11","170","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 O2 S4 -","- C38 H40 O2 S4 -","- C38 H40 O2 S4 -","1","0.5","","Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing","New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials","RSC Advances","2020","10","21","12378","12383","10.1039/D0RA01984D","","x-ray","1.54184","CuKα","","0.063","0.0455","","","0.1057","0.1185","","","","","","1.051","","","","has coordinates","258115","2020-10-21","18:00:00",""
"7240218","8.16","0.0003","8.4682","0.0004","13.9854","0.0005","87.738","0.003","87.241","0.003","71.942","0.004","917.42","0.07","170","0.12","170","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O2 S6 -","- C42 H40 O2 S6 -","- C42 H40 O2 S6 -","1","0.5","","Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing","New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials","RSC Advances","2020","10","21","12378","12383","10.1039/D0RA01984D","","x-ray","1.54184","CuKα","","0.0992","0.0897","","","0.2433","0.2565","","","","","","1.056","","","","has coordinates","258115","2020-10-21","18:00:00",""
"7240219","11.6746","0.0005","8.8149","0.0003","18.171","0.0007","90","","90","","90","","1869.99","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DMA-BTO","","","- C4 H9 N9 O2 -","- C4 H9 N9 O2 -","- C32 H72 N72 O16 -","8","1","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0484","0.0385","","","0.0952","0.1032","","","","","","1.057","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240220","8.3308","0.001","12.0024","0.0016","9.2986","0.0012","90","","105.393","0.003","90","","896.4","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","DEA-BTO","","","- C10 H24 N10 O2 -","- C10 H24 N10 O2 -","- C20 H48 N20 O4 -","2","0.25","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0492","0.0402","","","0.1111","0.1183","","","","","","1.083","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240221","6.811","0.0005","7.3961","0.0005","11.6431","0.0009","73.627","0.002","82.716","0.002","83.323","0.002","556.19","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H11 N9 O4 -","- C5 H11 N9 O4 -","- C10 H22 N18 O8 -","2","1","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0551","0.0422","","","0.1001","0.1103","","","","","","1.065","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240222","11.666","0.005","8.002","0.005","33.179","0.005","90","","99.513","0.005","90","","3055","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 N10 O11 -","- C26 H22 Cl2 N10 O11 -","- C104 H88 Cl8 N40 O44 -","4","1","","Alves, Marina A.; de Queiroz, Aline C.; Leite, Anderson Brandão; Martins, Felipe T.; Doriguetto, Antonio C.; Barreiro, Eliezer J.; Alexandre-Moreira, Magna S.; Lima, Lídia M.","Carbamoyl-N-aryl-imine-urea: a new framework to obtain a putative leishmanicidal drug-candidate","RSC Advances","2020","10","21","12384","12394","10.1039/D0RA00287A","","","0.71069","MoKα","","0.1698","0.0594","","","0.1243","0.1689","","","","","","0.952","","","","has coordinates","258117","2020-10-21","18:00:00",""
"7240223","7.8077","0.0016","6.1034","0.0012","22.881","0.005","90","","91.67","0.03","90","","1089.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","0.5","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.071","0.047","","","0.1188","0.133","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240224","5.6951","0.0011","32.968","0.007","7.2241","0.0014","90","","109.74","0.03","90","","1276.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O2 -","- C15 H16 N O2 -","- C60 H64 N4 O8 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0777","0.0626","","","0.1316","0.1378","","","","","","1.084","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240225","6.5705","0.0013","9.2493","0.0018","17.129","0.003","92.82","0.03","99.52","0.03","110.25","0.03","956.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","2","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0489","0.0398","","","0.0918","0.0969","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240226","6.5593","0.0013","9.2837","0.0019","16.826","0.003","82.39","0.03","81.52","0.03","69.63","0.03","946.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.1195","0.0777","","","0.1634","0.1803","","","","","","1.06","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240227","9.3729","0.0019","18.545","0.004","11.135","0.002","90","","113.89","0.03","90","","1769.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0581","0.0415","","","0.1024","0.1115","","","","","","1.04","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240228","20.435","0.002","4.6351","0.0006","17.7856","0.0019","90","","116.068","0.003","90","","1513.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cadavarine adipate;Pentane-1,5-diamine adipate","1,5-Diaminopentane adipate","","- C11 H28 N2 O6 -","- C11 H28 N2 O6 -","- C44 H112 N8 O24 -","4","0.5","","Yang, Pengpeng; Peng, Xiaoqiang; Wang, Sen; Li, Dong; Li, Ming; Jiao, Pengfei; Zhuang, Wei; Wu, Jianglan; Wen, Qingshi; Ying, Hanjie","Crystal structure, Thermodynamics, and Crystallization of Bio-based Polyamide 56 salt","CrystEngComm","2020","","","","","10.1039/D0CE00198H","","","0.71073","MoKα","","0.0408","0.0358","","","0.0915","0.0943","","","","","","1.145","","","","has coordinates","249831","2020-10-21","18:00:00",""
"7240229","14.242","0.0009","10.3185","0.0007","16.3776","0.0009","90","","90","","90","","2406.8","0.3","178","","178","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C28 H35 N P2 -","- C28 H20 N P2 -","- C112 H80 N4 P8 -","4","0.5","","Liang, Wenbin; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis of 1,2,4-azadiphosphole derivatives based on vanadium-catalyzed [2+2+1] cycloaddition reactions of azobenzenes with phosphaalkynes","RSC Advances","2020","10","22","12730","12733","10.1039/D0RA02503H","","","0.71075","MoKα","","0.1625","0.1398","","","0.2387","0.2519","","","","","","1","","","","has coordinates","257972","2020-10-21","18:00:00",""
"7240230","21.4445","0.0011","21.4445","0.0011","9.3118","0.0005","90","","90","","90","","4282.2","0.4","260","2","260","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C9 H9 O5.5 P1.25 Zn -","- C9 H9 O5.5 P1.25 Zn -","- C72 H72 O44 P10 Zn8 -","8","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.0766","0.0585","","","0.1666","0.1867","","","","","","1.096","","","","has coordinates","249893","2020-10-21","18:00:00",""
"7240231","19.912","0.004","19.912","0.004","9.5338","0.0017","90","","90","","90","","3780","1.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C29 H42 N3 O12 P2 Zn2 -","- C29 H42 N3 O12 P2 Zn2 -","- C116 H168 N12 O48 P8 Zn8 -","4","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.1102","0.0748","","","0.2041","0.2229","","","","","","0.976","","","","has coordinates,has disorder","249893","2020-10-21","18:00:00",""
"7240232","7.5505","0.0015","8.4609","0.0017","19.059","0.004","90","","94.78","0.005","90","","1213.3","0.4","99.98","","99.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.0967","0.0579","","","0.1242","0.1467","","","","","","1.048","","","","has coordinates,has disorder","249894","2020-10-21","18:00:00",""
"7240233","8.0387","0.0016","8.3211","0.0016","19.109","0.004","90","","91.225","0.005","90","","1277.9","0.4","349.98","","349.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1262","0.0535","","","0.1327","0.1611","","","","","","1.051","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240234","7.8657","0.0004","8.3573","0.0005","19.1322","0.0011","90","","92.729","0.002","90","","1256.25","0.12","289.99","","289.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1082","0.0426","","","0.1148","0.1458","","","","","","1.102","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240235","8.1041","0.0017","8.3084","0.0017","19.127","0.004","90","","90.843","0.005","90","","1287.7","0.5","400","","400","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1389","0.0469","","","0.1227","0.1641","","","","","","1.055","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240236","9.0895","0.0002","15.5758","0.0003","7.7921","0.0002","90","","102.169","0.002","90","","1078.39","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 Ni O6 -","- C20 H22 N8 Ni O6 -","- C40 H44 N16 Ni2 O12 -","2","0.5","","Zhang, Ya-Jie; Yin, Lei; Li, Jing; Hu, Zhao-Bo; Ouyang, Zhong-Wen; Song, You; Wang, Zhenxing","Synthesis, crystal structures, HF-EPR, and magnetic properties of six-coordinate transition metal (Co, Ni, and Cu) compounds with a 4-amino-1,2,4-triazole Schiff-base ligand","RSC Advances","2020","10","22","12833","12840","10.1039/C9RA10851C","","x-ray","1.54184","CuKα","","0.0388","0.0338","","","0.0868","0.0929","","","","","","1.074","","","","has coordinates","257971","2020-10-21","18:00:00",""
"7240237","6.9439","0.0003","9.74","0.0004","10.3973","0.0004","63.431","0.004","77.659","0.004","73.969","0.004","601.15","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Ce Cl O9 -","- C8 H10 Ce Cl O9 -","- C16 H20 Ce2 Cl2 O18 -","2","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0316","0.0287","","","0.064","0.0651","","","","","","1.018","","","","has coordinates","257973","2020-10-21","18:00:00",""
"7240238","12.5257","0.00012","14.44759","0.00014","14.23151","0.00013","90","","106.789","0.001","90","","2465.64","0.04","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 O15 Tb -","- C18 H30 O15 Tb -","- C72 H120 O60 Tb4 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0313","0.0287","","","0.0721","0.0735","","","","","","1.053","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240239","12.5345","0.0002","14.4309","0.0002","14.2786","0.0002","90","","106.348","0.001","90","","2478.35","0.06","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Eu O15 -","- C18 H30 Eu O15 -","- C72 H120 Eu4 O60 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.037","0.0325","","","0.084","0.0883","","","","","","1.031","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240240","12.53408","0.00013","14.43816","0.00018","14.25451","0.00016","90","","106.533","0.0012","90","","2472.97","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Gd O15 -","- C18 H30 Gd O15 -","- C72 H120 Gd4 O60 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0276","0.0249","","","0.0582","0.0596","","","","","","1.065","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240241","14.7258","0.0002","17.0253","0.0002","17.5571","0.0003","90","","105.655","0.0018","90","","4238.48","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 N2 O Si -","- C51 H44 N2 O Si -","- C204 H176 N8 O4 Si4 -","4","1","","Aradhyula, Basava Punna Rao; Ranga Naidu Chinta, Ramu V.; Dhanunjayarao, Kunchala; Venkatasubbaiah, Krishnan","Synthesis and characterization of poly(tetraphenylimidazole)s and their application in the detection of fluoride ions","RSC Advances","2020","10","22","13149","13154","10.1039/D0RA01559H","","x-ray","1.54184","CuKα","","0.0601","0.0535","","","0.1564","0.1627","","","","","","1.087","","","","has coordinates","257974","2020-10-21","18:00:00",""
"7240242","21.0346","0.0009","13.9323","0.0007","8.424","0.0005","90","","92.856","0.002","90","","2465.7","0.2","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H20 F8 N10 O2 V2 Zn2 -","- C15 H20 F8 N10 O2 V2 Zn2 -","- C60 H80 F32 N40 O8 V8 Zn8 -","4","0.5","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","","0.71073","MoKα","","0.0912","0.051","","","0.1056","0.1243","","","","","","1.022","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240243","9.97","0.002","15.173","0.003","18.46","0.004","90","","105.65","0.03","90","","2689","1","298","2","297.85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F6 N8 O3 V2 Zn -","- C16 H26 F6 N8 O3 V2 Zn -","- C64 H104 F24 N32 O12 V8 Zn4 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.63","synchrotron","","0.0559","0.0437","","","0.1273","0.1321","","","","","","1.087","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240244","21.4873","0.0008","14.4408","0.0005","20.9884","0.0007","90","","112.827","0.002","90","","6002.5","0.4","298","2","298","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 F12 N20 O3 V3 Zn3 -","- C40 H60 F12 N20 O3 V3 Zn3 -","- C160 H240 F48 N80 O12 V12 Zn12 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.71073","MoKα","","0.1717","0.0639","","","0.13","0.1781","","","","","","0.965","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240245","20.3464","0.0001","37.9267","0.0003","30.4684","0.0002","90","","97.04","0.001","90","","23334.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H292.5 Cl2.5 N88 O123 -","- C132 H132 Cl2.5 N88 O123.039 -","- C528 H528 Cl10 N352 O492.156 -","4","1","","Danylyuk, Oksana; Sashuk, Volodymyr","A three-in-one crystal of mixed sized cucurbit[n]uril homologues","CrystEngComm","2020","","","","","10.1039/D0CE00296H","","","1.54184","CuKα","","0.1194","0.1021","","","0.291","0.3138","","","","","","1.087","","","","has coordinates,has disorder","249991","2020-10-21","18:00:00",""
"7240246","16.179","0.002","8.8178","0.0015","17.233","0.002","90","","103.819","0.013","90","","2387.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","El-Harairy, Ahmed; Shaheen, Mennatallah; Li, Jun; Wu, Yuzhou; Li, Minghao; Gu, Yanlong","Synthesis of α-indolylacrylates as potential anticancer agents using a Brønsted acid ionic liquid catalyst and the butyl acetate solvent","RSC Advances","2020","10","23","13507","13516","10.1039/D0RA00990C","","x-ray","0.71073","MoKα","","0.0787","0.0732","","","0.199","0.2059","","","","","","1.07","","","","has coordinates","258111","2020-10-21","18:00:00",""
"7240247","9.461","0.0006","26.3464","0.0013","11.1125","0.0008","90","","90","","90","","2769.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0441","0.036","","","0.0873","0.09","","","","","","1.039","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240248","9.4529","0.0006","26.3871","0.001","11.1375","0.0006","90","","90","","90","","2778.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0419","0.0343","","","0.0804","0.0825","","","","","","1.031","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240249","11.4298","0.0007","17.5953","0.0009","23.3164","0.0013","90","","90","","90","","4689.2","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0741","0.0757","","","","","","1.021","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240250","11.4166","0.0009","17.5949","0.0013","23.3418","0.0016","90","","90","","90","","4688.8","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.035","0.0316","","","0.0809","0.0822","","","","","","1.004","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240251","11.8148","0.0003","9.6634","0.0002","20.8234","0.0005","90","","98.5727","0.001","90","","2350.87","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian","Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael‒Michael addition","RSC Advances","2020","10","23","13591","13600","10.1039/D0RA01264E","","","1.54178","CuKα","","0.0481","0.0392","","","0.0947","0.104","","","","","","1.037","","","","has coordinates,has disorder","258112","2020-10-21","18:00:00",""
"7240252","9.4969","0.0002","12.723","0.0003","20.1047","0.0005","89.5889","0.0012","87.0347","0.0011","88.2917","0.0012","2424.86","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","2","","Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian","Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael‒Michael addition","RSC Advances","2020","10","23","13591","13600","10.1039/D0RA01264E","","","1.54178","CuKα","","0.0559","0.0468","","","0.1169","0.1267","","","","","","1.029","","","","has coordinates,has disorder","258112","2020-10-21","18:00:00",""
"7240253","9.8022","0.0003","11.3939","0.0003","14.907","0.0004","88.3116","0.0011","89.7934","0.0011","65.7475","0.001","1517.23","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O2 Si -","- C18 H16 O2 Si -","- C72 H64 O8 Si4 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0538","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240254","8.6748","0.0002","9.4769","0.0002","11.2572","0.0003","65.78","0.001","88.888","0.001","66.382","0.001","761.58","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","1","0.5","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0254","0.0237","","","0.062","0.0628","","","","","","1.066","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240255","9.8517","0.0003","11.4503","0.0003","15.0058","0.0004","88.4868","0.0009","89.8466","0.001","65.3416","0.0009","1537.77","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Ge O2 -","- C18 H16 Ge O2 -","- C72 H64 Ge4 O8 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0517","0.0394","","","0.1003","0.1052","","","","","","1.069","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240256","9.563","0.0006","12.5988","0.0007","25.0296","0.0014","81.062","0.003","88.375","0.003","88.956","0.003","2977.5","0.3","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H48 Cl N O -","- C33 H48 Cl N O -","- C132 H192 Cl4 N4 O4 -","4","4","","Xu, Biping; Shang, Yaping; Jie, Xiaoming; Zhang, Xiaofeng; Kan, Jian; Yedage, Subhash Laxman; Su, Weiping","Synthesis of α-enaminones from cyclic ketones and anilines using oxoammonium salt as an oxygen transfer reagent","Green Chemistry","2020","22","6","1827","1831","10.1039/C9GC03845K","","","0.71073","MoKα","","0.0679","0.0503","","","0.1271","0.1453","","","","","","1.076","","","","has coordinates","257599","2020-10-21","18:00:00",""
"7240257","10.97","0.004","12.408","0.004","12.818","0.004","101.383","0.004","111.028","0.004","108.089","0.004","1451.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0565","0.0517","","","0.1249","0.1356","","","","","","1.029","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240258","10.9871","0.0011","12.3354","0.0012","12.7954","0.0013","101.807","0.001","110.331","0.001","107.718","0.001","1452.5","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0591","0.0483","","","0.1304","0.1697","","","","","","1.1","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240259","18.9","0.005","23.208","0.006","26.175","0.007","90","","96.397","0.003","90","","11410","5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H55 Cu4 N12 O42.5 Si W11 -","- C12 H48 Cu4 N12 O42.5 Si W11 -","- C96 H384 Cu32 N96 O340 Si8 W88 -","8","2","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.1031","0.0718","","","0.1717","0.1841","","","","","","1.052","","","","has coordinates,has disorder","258113","2020-10-21","18:00:00",""
"7240260","8.8979","0.001","16.1189","0.0018","10.7902","0.0012","90","","98.182","0.003","90","","1531.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 -","- C19 H17 N3 -","- C76 H68 N12 -","4","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.0787","0.0511","","","0.1135","0.1279","","","","","","1.028","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240261","9.8331","0.0014","20.335","0.003","9.8331","0.0014","90","","90","","90","","1966.2","0.5","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C11 H11 F0.5 N2 -","- C11 H11 F0.5 N2 -","- C88 H88 F4 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.0596","0.0544","","","0.125","0.1283","","","","","","1.197","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240262","9.612","0.003","7.441","0.002","24.001","0.007","90","","90","","90","","1716.6","0.9","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.1112","0.0565","","","0.11","0.1333","","","","","","1.103","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240263","11.6483","0.0005","12.8326","0.0005","15.9004","0.0006","85.574","0.001","68.719","0.001","75.628","0.001","2145.16","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30 Cd Mn2 N6 O10 -","- C46 H30 Cd Mn2 N6 O10 -","- C92 H60 Cd2 Mn4 N12 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.0576","0.0447","","","0.0926","0.0971","","","","","","1.068","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240264","11.196","0.003","12.133","0.003","16.012","0.004","70.63","0.008","74.044","0.008","75.725","0.007","1943.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 Cd Mn2 N4 O10 -","- C42 H24 Cd Mn2 N4 O10 -","- C84 H48 Cd2 Mn4 N8 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.2172","0.1433","","","0.2777","0.3114","","","","","","1.286","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240265","11.1656","0.0012","12.1921","0.0014","15.7403","0.0018","79.978","0.003","73.141","0.003","74.814","0.003","1967.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H27 Cd Mn2 N5 O10 -","- C44 H27 Cd Mn2 N5 O10 -","- C88 H54 Cd2 Mn4 N10 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.1333","0.1061","","","0.2994","0.3225","","","","","","1.048","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240266","13.2745","0.0008","7.8001","0.0002","24.2247","0.0014","90","","129.278","0.01","90","","1941.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Gu, Guangmiao; Huang, Mengmeng; Kim, Jung Keun; Zhang, Jianye; Li, Yabo; Wu, Yangjie","Visible-light-induced photocatalyst-free C-3 functionalization of indoles with diethyl bromomalonate","Green Chemistry","2020","22","8","2543","2548","10.1039/D0GC00292E","","x-ray","1.54184","CuKα","","0.063","0.049","","","0.125","0.1387","","","","","","1.04","","","","has coordinates","257579","2020-10-21","18:00:00",""
"7240267","9.8999","0.0003","15.9931","0.0004","15.6852","0.0005","90","","104.928","0.003","90","","2399.62","0.13","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O4 -","- C26 H25 Cl N2 O4 -","- C104 H100 Cl4 N8 O16 -","4","1","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0711","0.0439","","","0.1165","0.1292","","","","","","0.929","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240268","11.7246","0.0002","11.7246","0.0002","27.1515","0.0004","90","","90","","90","","3732.41","0.11","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0685","0.0621","","","0.1663","0.1728","","","","","","1.091","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240269","11.6632","0.0002","11.6632","0.0002","27.4472","0.0009","90","","90","","90","","3733.65","0.15","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0892","0.0409","","","0.0756","0.0918","","","","","","0.833","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240270","14.3504","0.0005","9.0371","0.0002","20.1515","0.0007","90","","107.169","0.002","90","","2496.91","0.14","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl F N2 O3 -","- C26 H24 Cl F N2 O3 -","- C104 H96 Cl4 F4 N8 O12 -","4","1","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0639","0.0463","","","0.1338","0.1426","","","","","","1.025","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240271","11.6433","0.0004","11.6433","0.0004","27.2378","0.0012","90","","90","","90","","3692.5","0.2","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","0.71073","MoKα","","0.21","0.0864","","","0.1717","0.2662","","","","","","0.929","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240272","10.7102","0.0008","12.4241","0.0009","18.9297","0.0014","88.674","0.002","81.057","0.003","77.969","0.002","2433.5","0.3","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","1","0.5","","Qi, Yue; Sun, Ou; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng","Enhanced near-infrared luminescence in Ln2Cd2 (Ln = Nd, Yb) heterotetranuclear complexes","CrystEngComm","2020","","","","","10.1039/D0CE00341G","","","0.71073","MoKα","","0.0543","0.0516","","","0.1321","0.1346","","","","","","1.07","","","","has coordinates,has disorder","250474","2020-10-21","18:00:00",""
"7240273","10.876","0.004","12.218","0.004","12.367","0.005","66.42","0.007","78.642","0.007","69.642","0.007","1408.9","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","1","0.5","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1531","0.0934","","","0.2572","0.3128","","","","","","0.996","","","","has coordinates,has disorder","250475","2020-10-21","18:00:00",""
"7240274","6.6062","0.0007","10.0221","0.0011","24.619","0.003","90","","95.193","0.004","90","","1623.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 N12 O7 S -","- C7 H18 N12 O7 S -","- C28 H72 N48 O28 S4 -","4","1","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1197","0.0574","","","0.1298","0.1587","","","","","","0.999","","","","has coordinates","250475","2020-10-21","18:00:00",""
"7240275","7.054","0.0002","21.5123","0.0005","10.5167","0.0002","90","","96.191","0.001","90","","1586.58","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N4 O5 -","- C15 H22 N4 O5 -","- C60 H88 N16 O20 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0413","0.0354","","","0.0859","0.0897","","","","","","1.058","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240276","30.5126","0.001","9.6815","0.0003","7.3786","0.0002","90","","90","","90","","2179.7","0.11","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.028","0.0263","","","0.0642","0.0653","","","","","","1.087","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240277","17.3306","0.0013","5.9128","0.0005","17.503","0.0013","90","","92.156","0.003","90","","1792.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 N4 O2 -","- C19 H21 F3 N4 O2 -","- C76 H84 F12 N16 O8 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0439","0.0352","","","0.0835","0.0883","","","","","","1.017","","","","has coordinates,has disorder","250476","2020-10-21","18:00:00",""
"7240278","7.4169","0.0001","7.4169","0.0001","31.97","0.0007","90","","90","","90","","1758.68","0.05","302","2","302","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Cs2UO2Ga2O5","","- Cs2 Ga2 O7 U -","- Cs2.0022 Ga2 O7 U -","- Cs16.0176 Ga16 O56 U8 -","8","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0214","0.021","","","0.0498","0.0499","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240279","7.3052","0.0008","9.0828","0.001","11.7254","0.0013","75.857","0.004","72.834","0.004","86.974","0.004","720.65","0.14","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","Rb6(UO2)5O2(PO4)4","","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","1","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0728","0.0746","","","","","","1.056","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240280","9.548","0.004","13.488","0.005","14.898","0.006","64.755","0.016","72.369","0.016","89.511","0.016","1637.6","1.2","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","Rb5.93Cl0.93[UO2)5(PO4)5]","","- Cl0.95 O30 P5 Rb5.93 U5 -","- Cl0.947 O30 P5 Rb5.926 U5 -","- Cl1.894 O60 P10 Rb11.852 U10 -","2","1","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0703","0.0482","","","0.0892","0.096","","","","","","1.098","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240281","9.5935","0.0005","13.7652","0.0008","13.2983","0.0008","90","","101.343","0.002","90","","1721.82","0.17","303","2","302.88","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rb7.5[(UO2)8O8.6F0.4(PO4)2]","","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.8 O65.2 P4 Rb15.2 U16 -","2","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0428","0.0405","","","0.0865","0.0874","","","","","","1.362","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240282","25.7697","0.0006","25.7697","0.0006","9.3962","0.0002","90","","90","","90","","6239.8","0.2","301","2","301.14","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Rb11[(UO2)8(PO4)9]","","- O52 P9 Rb11.02 U8 -","- O52 P9 Rb10.9988 U8 -","- O208 P36 Rb43.9952 U32 -","4","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0366","0.035","","","0.0903","0.091","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240283","9.7382","0.0014","10.0324","0.0013","11.2964","0.0015","73.551","0.007","87.711","0.007","74.719","0.007","1020.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 I N6 O2 -","- C20 H18 I N6 O2 -","- C40 H36 I2 N12 O4 -","2","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.0532","0.0466","","","0.1191","0.124","","","","","","1.065","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240284","7.6849","0.0004","11.331","0.0005","14.1776","0.0007","94.684","0.002","94.245","0.002","106.982","0.002","1170.56","0.1","297.99","","297.99","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Cl I N6 O S -","- C22 H20 Cl I N6 O S -","- C44 H40 Cl2 I2 N12 O2 S2 -","2","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.022","0.0193","","","0.0469","0.0481","","","","","","1.095","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240285","21.618","0.003","7.8792","0.001","23.619","0.003","90","","90","","90","","4023.1","0.9","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N7 -","- C22 H16 I N7 -","- C176 H128 I8 N56 -","8","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.1005","0.0487","","","0.1005","0.1206","","","","","","1.021","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240286","8.0435","0.0006","11.5711","0.001","27.338","0.002","90","","95.054","0.005","90","","2534.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 I N6 O -","- C20 H15 I N6 O -","- C80 H60 I4 N24 O4 -","4","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.1421","0.0722","","","0.1699","0.1942","","","","","","1.041","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240287","7.1908","0.0004","15.8291","0.0008","20.6394","0.0011","90","","90","","90","","2349.3","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-(Phenyl-6-deoxy-2,3,4-tri-O-methyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C21 H26 F3 N O8 S -","- C21 H26 F3 N O8 S -","- C84 H104 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.1011","0.0499","","","0.1001","0.1178","","","","","","1.022","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240288","16.0965","0.0011","8.7488","0.0006","13.4481","0.0009","90","","121.558","0.003","90","","1613.8","0.2","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1,4-anhydro-5-deoxy-2,3-O-isopropyliden-D-ribitol-5-yl)-pyridinium mesylate","","- C14 H22 N O6.5 S -","- C14 H22 N O6.5 S -","- C56 H88 N4 O26 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0432","0.0397","","","0.0929","0.0954","","","","","","1.052","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240289","15.5061","0.0009","6.3564","0.0004","24.1497","0.0013","90","","100.865","0.003","90","","2337.6","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","N-(Methyl-6-deoxy-2,3,4-tri-O-ethyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C19 H30 F3 N O8 S -","- C19 H30 F3 N O8 S -","- C76 H120 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0526","0.046","","","0.1067","0.1121","","","","","","1.077","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240290","34.428","0.005","3.812","0.0006","19.787","0.003","90","","90","","90","","2596.8","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C96 H112 N48 O16 -","16","4","","Zhang, Keke; Fellah, Noalle; Shtukenberg, Alexander G.; Fu, Xiaoyan; Hu, Chunhua; Ward, Michael D.","Discovery of new polymorphs of the tuberculosis drug isoniazid","CrystEngComm","2020","","","","","10.1039/D0CE00440E","","","0.71073","MoKα","","0.085","0.0515","","","0.105","0.1202","","","","","","1.027","","","","has coordinates","250517","2020-10-21","18:00:00",""
"7240291","4.7844","0.001","6.1705","0.0012","15.43","0.003","90","","96.42","0.03","90","","452.67","0.16","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C20 H16 N8 -","2","0.5","","Gao, Lei; Hao, Yunhui; Zhang, Xiunan; Huang, Xin; Wang, Ting; Hao, Hongxun","Polymorph Induced Diversity of Photomechanical Motions of Molecular Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00311E","","","0.71073","MoKα","","0.0547","0.0447","","","0.1185","0.1246","","","","","","1.05","","","","has coordinates","250518","2020-10-21","18:00:00",""
"7240292","14.63788","0.00016","14.63788","0.00016","13.6616","0.0002","90","","90","","120","","2535.06","0.05","109.9","0.1","109.9","0.1","","","","","","","","3","P 64","P 64","172","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C114 H120 O30 -","6","1","","Yin, Zhao-Kun; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Xu; Zhang, Pei-Cheng; Yang, Ya-Nan","New diterpenoid quinones derived from Salvia miltiorrhiza and their cytotoxic and neuroprotective activities","RSC Advances","2020","10","24","14235","14242","10.1039/D0RA02022B","","x-ray","1.54184","CuKα","","0.0308","0.0305","","","0.0769","0.0771","","","","","","1.082","","","","has coordinates,has disorder","257963","2020-10-21","18:00:00",""
"7240293","29.725","0.0014","7.9068","0.0003","15.6809","0.0009","90","","108.574","0.004","90","","3493.5","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C144 H160 Br8 N8 O32 -","8","1","","Beil, Sebastian B.; Breiner, Manuel; Schulz, Lara; Schüll, Aaron; Müller, Timo; Schollmeyer, Dieter; Bomm, Alexander; Holtkamp, Michael; Karst, Uwe; Schade, Wolfgang; Waldvogel, Siegfried R.","About the selectivity and reactivity of active nickel electrodes in C‒C coupling reactions","RSC Advances","2020","10","24","14249","14253","10.1039/D0RA02673E","","","0.71073","MoKα","","0.0635","0.0448","","","0.089","0.0981","","","","","","1.063","","","","has coordinates,has disorder","257962","2020-10-21","18:00:00",""
"7240294","9.6368","0.0013","15.6248","0.0016","16.1815","0.0018","90","","90","","90","","2436.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","180618a","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Zhang, Mengxing; Li, Jiale; Yu, Lirong; Wang, Xi; Bai, Ming","Tuning the fluorescence based on the combination of TICT and AIE emission of a tetraphenylethylene with D‒π‒A structure","RSC Advances","2020","10","25","14520","14524","10.1039/D0RA00107D","","","1.54184","CuKα","","0.1773","0.126","","","0.3479","0.4183","","","","","","1.372","","","","has coordinates","258068","2020-10-21","18:00:00",""
"7240295","4.1648","0.0003","10.9613","0.0006","12.044","0.0007","105.854","0.005","90.015","0.006","94.64","0.006","527.04","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","","Guo, Weiwei; Zhang, Qi; Cao, Yang; Cai, Kaihua; Zhang, Shengyong; Chai, Yonghai","Environmentally benign access to isoindolinones: synthesis, separation and resource recycling","Green Chemistry","2020","22","9","2873","2878","10.1039/D0GC00957A","","","1.54184","CuKα","","0.0548","0.042","","","0.1076","0.1181","","","","","","1.03","","","","has coordinates","257616","2020-10-21","18:00:00",""
"7240296","11.0533","0.0006","11.0533","0.0006","31.3156","0.0016","90","","90","","90","","3826","0.4","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H40 Co3 N6 O17 -","- C33 H40 Co3 N6 O17 -","- C132 H160 Co12 N24 O68 -","4","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0426","0.04","","","0.0999","0.1026","","","","","","1.072","","","","has coordinates,has disorder","250675","2020-10-21","18:00:00",""
"7240297","23.8554","0.0005","23.8554","0.0005","11.0075","0.0002","90","","90","","120","","5424.91","0.19","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H35 Co3 N5 O15 -","- C22 H25 Co3 N4 O13 -","- C132 H150 Co18 N24 O78 -","6","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0412","0.037","","","0.0937","0.0974","","","","","","1.054","","","","has coordinates","250675","2020-10-21","18:00:00",""
"7240298","12.1799","0.00046","13.7527","0.00061","7.0999","0.00039","90","","90","","90","","1189.28","0.1","298","","298","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C8.4 H11.6 Cu N4.8 O0.8 -","- C8.3622 H11.5118 Cu N4.7874 O0.7874 -","- C33.4488 H46.0472 Cu4 N19.1496 O3.1496 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240299","18.7113","0.0009","6.72929","0.00027","6.84365","0.00015","90","","90","","90","","861.71","0.06","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Cu N2 O -","- C3 H4 Cu N2 O -","- C24 H32 Cu8 N16 O8 -","8","1","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240300","20.26801","0.0005","9.53129","0.00021","7.35857","0.00015","90","","90","","90","","1421.53","0.06","298","","298","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C8.6 H10 Cu I2 N4.9 O0.9 -","- C8.5872 H10.0368 Cu I2 N4.4312 O0.862 -","- C34.3488 H40.1472 Cu4 I8 N17.7248 O3.448 -","4","0.25","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240301","13.70385","0.00033","14.45157","0.00035","7.13836","0.00019","90","","90","","90","","1413.7","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Cl2 Cu N5 O -","- C9 H11 Cl2 Cu N5 O1.0001 -","- C36 H44 Cl8 Cu4 N20 O4.0004 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240302","20.17156","0.00039","9.23328","0.00021","7.29128","0.00014","90","","90","","90","","1358","0.05","298","","298","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C7.5 H7.5 Cu I2 N4.5 O0.5 -","- C7.6284 H7.7996 Cu I2 N4.5428 O0.5428 -","- C30.5136 H31.1984 Cu4 I8 N18.1712 O2.1712 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240303","14.12276","0.00037","14.41132","0.0003","7.12786","0.00017","90","","90","","90","","1450.72","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Br2 Cu N5 O -","- C9.1554 H11.3626 Br2 Cu N5.0518 O1.0518 -","- C36.6216 H45.4504 Br8 Cu4 N20.2072 O4.2072 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240304","7.6112","0.0005","11.9128","0.0007","16.0046","0.001","81.915","0.003","81.796","0.003","80.15","0.003","1405.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0678","0.056","","","0.1485","0.1578","","","","","","1.047","","","","has coordinates","250755","2020-10-21","18:00:00",""
"7240305","7.6225","0.0008","12.046","0.0013","15.9044","0.0017","81.746","0.005","80.373","0.005","79.855","0.005","1407.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0947","0.0861","","","0.2402","0.2484","","","","","","1.077","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240306","7.6781","0.0005","12.0451","0.0008","15.9522","0.0011","81.688","0.003","81.54","0.003","79.019","0.003","1422.19","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58.01 Cl5.97 N4 O12 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.111","0.0868","","","0.2291","0.2485","","","","","","1.027","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240307","7.612","0.0005","12.0404","0.0007","15.8636","0.001","81.859","0.002","81.279","0.002","80.545","0.002","1407.4","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0766","0.0621","","","0.1683","0.1789","","","","","","1.066","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240308","8.802","0.0009","9.0045","0.0008","10.8415","0.0011","83.765","0.004","86.631","0.004","72.048","0.004","812.31","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N3 O4 -","- C15 H16 Cl N3 O4 -","- C30 H32 Cl2 N6 O8 -","2","1","","Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam","Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon","Green Chemistry","2020","22","8","2388","2393","10.1039/D0GC00162G","","","0.71073","MoKα","","0.048","0.0395","","","0.0999","0.1057","","","","","","1.036","","","","has coordinates","257577","2020-10-21","18:00:00",""
"7240309","5.6602","0.0005","19.0351","0.0018","10.7528","0.001","90","","102.926","0.001","90","","1129.18","0.18","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam","Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon","Green Chemistry","2020","22","8","2388","2393","10.1039/D0GC00162G","","","0.71073","MoKα","","0.0434","0.0398","","","0.11","0.1143","","","","","","1.07","","","","has coordinates","257577","2020-10-21","18:00:00",""
"7240310","6.7032","0.0006","8.5139","0.0009","22.447","0.002","90","","90","","90","","1281.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","","Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan","Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen","Green Chemistry","2020","22","9","2956","2962","10.1039/D0GC00070A","","","0.71073","MoKα","","0.1043","0.0537","","","0.0972","0.1177","","","","","","1.125","","","","has coordinates,has disorder","257617","2020-10-21","18:00:00",""
"7240311","8.1026","0.0007","15.7929","0.0013","8.4783","0.0008","90","","104.183","0.003","90","","1051.84","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan","Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen","Green Chemistry","2020","22","9","2956","2962","10.1039/D0GC00070A","","","0.71073","MoKα","","0.0504","0.0371","","","0.0929","0.1027","","","","","","1.039","","","","has coordinates","257617","2020-10-21","18:00:00",""
"7240312","11.8368","0.0007","12.9003","0.0007","12.9079","0.0008","77.415","0.002","70.445","0.002","87.203","0.002","1812.08","0.19","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0404","0.0323","","","0.0669","0.0703","","","","","","1.15","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240313","11.839","0.003","12.878","0.003","12.889","0.003","77.337","0.008","70.373","0.007","87.128","0.008","1805.3","0.8","298.14","","298.14","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0614","0.0468","","","0.0964","0.1019","","","","","","1.149","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240314","11.8312","0.001","12.9358","0.0011","12.9377","0.0011","77.643","0.003","87.27","0.003","70.613","0.003","1823.9","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0686","0.0537","","","0.1017","0.1073","","","","","","1.144","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240315","11.856","0.0009","12.9142","0.0008","12.9156","0.0009","77.43","0.002","87.145","0.003","70.506","0.002","1818.9","0.2","299.37","","299.37","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0682","0.053","","","0.0927","0.0989","","","","","","1.087","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240316","11.742","0.008","12.828","0.009","12.841","0.007","78.222","0.018","70.228","0.016","87.399","0.019","1781","2","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0729","0.07","","","0.1763","0.1799","","","","","","1.064","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240317","11.7703","0.0008","12.8448","0.0008","12.8648","0.0007","78.099","0.005","87.212","0.005","70.357","0.006","1792","0.2","122.65","0.1","122.65","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0821","0.0859","","","","","","1.056","","","","has coordinates,has disorder","250830","2020-10-21","18:00:00",""
"7240318","18.629","0.003","5.2842","0.0008","22.841","0.004","90","","90","","90","","2248.5","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(DL)-malic acid nicotinamide","(R, S)-2-hydroxysuccinic acid nicotinamide","","- C20 H24 N4 O12 -","- C20 H24 N4 O12 -","- C80 H96 N16 O48 -","4","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0631","0.0477","","","0.113","0.1197","","","","","","1.08","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240319","4.7631","0.0002","8.8253","0.0004","10.662","0.0005","96.829","0.003","95.279","0.003","105.603","0.003","424.99","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","L-malic acid nicotinamide","(R)-2-hydroxysuccinic acid nicotinamide","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","1","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0516","0.037","","","0.0845","0.0919","","","","","","1.021","","","","has coordinates,has disorder","250831","2020-10-21","18:00:00",""
"7240320","5.3395","0.0005","11.3914","0.0015","11.6131","0.0013","78.849","0.009","82.062","0.008","81.076","0.009","680.36","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","DL-phenyllactic acid isonicotinamide","(R,S)-2-hydroxy-3-phenylpropionic acid isonicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.1038","0.0531","","","0.1298","0.1567","","","","","","0.79","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240321","5.304","0.0002","11.4994","0.0004","11.748","0.0005","80.398","0.003","81.767","0.003","82.135","0.003","694.52","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","(L)-phenyllactic acid nictonamide","(S)-2hyrdoxy-3-phenylpropionic acid nicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","2","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","1.54178","CuKα","","0.0689","0.0528","","","0.1276","0.1415","","","","","","1.071","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240322","8.6847","0.0017","9.1876","0.0018","27.083","0.005","90","","90","","90","","2161","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0789","0.0436","","","0.1074","0.1278","","","","","","1.008","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240323","12.2","0.005","9.143","0.004","8.797","0.004","90","","102.02","0.008","90","","959.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-phenylmethylidene]acetohydrazide","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0856","0.0433","","","0.0947","0.1124","","","","","","1.006","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240324","5.8958","0.0002","15.5043","0.0009","17.198","0.0006","90","","99.277","0.004","90","","1551.51","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F3 N O3 -","- C19 H12 F3 N O3 -","- C76 H48 F12 N4 O12 -","4","1","","Shi, Lijun; Liu, Ying; Wang, Caixia; Yuan, Xinxin; Liu, Xiaobiao; Wu, Lulu; Pan, Zhenliang; Yu, Qicheng; Xu, Cuilian; Yang, Guoyu","Synthesis of 1-(β-coumarinyl)-1-(β-indolyl)trifluoroethanols through regioselective Friedel‒Crafts alkylation of indoles with β-(trifluoroacetyl)coumarins catalyzed by Sc(OTf)3","RSC Advances","2020","10","24","13929","13935","10.1039/D0RA01237H","","x-ray","1.54184","CuKα","","0.0725","0.0522","","","0.1273","0.1504","","","","","","1.002","","","","has coordinates","257966","2020-10-21","18:00:00",""
"7240325","22.171","0.001","8.6836","0.0003","32.4701","0.0014","90","","111.054","0.005","90","","5834","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 F3 N O5 -","- C27 H20 F3 N O5 -","- C216 H160 F24 N8 O40 -","8","1","","Shi, Lijun; Liu, Ying; Wang, Caixia; Yuan, Xinxin; Liu, Xiaobiao; Wu, Lulu; Pan, Zhenliang; Yu, Qicheng; Xu, Cuilian; Yang, Guoyu","Synthesis of 1-(β-coumarinyl)-1-(β-indolyl)trifluoroethanols through regioselective Friedel‒Crafts alkylation of indoles with β-(trifluoroacetyl)coumarins catalyzed by Sc(OTf)3","RSC Advances","2020","10","24","13929","13935","10.1039/D0RA01237H","","x-ray","1.54184","CuKα","","0.2465","0.2308","","","0.521","0.5449","","","","","","2.354","","","","has coordinates","257966","2020-10-21","18:00:00",""
"7240326","11.391","0.0008","18.0035","0.0013","11.849","0.001","90","","108.332","0.002","90","","2306.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N5 O4 Zn -","- C21 H29 N5 O4 Zn -","- C84 H116 N20 O16 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0481","0.0327","","","0.1","0.12","","","","","","1.148","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240327","11.3882","0.0012","17.9996","0.0019","11.8463","0.0015","90","","108.327","0.004","90","","2305.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S Zn -","- C22 H29 N3 O4 S Zn -","- C88 H116 N12 O16 S4 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0692","0.052","","","0.1605","0.1805","","","","","","1.139","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240328","7.3043","0.0005","8.8329","0.0006","9.7206","0.0007","65.294","0.003","70.106","0.003","79.466","0.003","535.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N6 Ni O12 -","- C12 H24 N6 Ni O12 -","- C12 H24 N6 Ni O12 -","1","0.5","","Halevi, Oded; Chen, Jingwei; Thangavel, Gurunathan; Morris, Samuel Alexander; Ben Uliel, Tal; Tischler, Yaakov Raphael; Lee, Pooi See; Magdassi, Shlomo","Synthesis through 3D printing: formation of 3D coordination polymers","RSC Advances","2020","10","25","14812","14817","10.1039/D0RA01887B","","","0.71073","MoKα","","0.0353","0.03","","","0.0819","0.0881","","","","","","1.076","","","","has coordinates","258069","2020-10-21","18:00:00",""
"7240329","8.2922","0.0006","9.4246","0.0007","12.9343","0.001","111.004","0.002","99.018","0.003","97.623","0.002","912.24","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0553","0.0456","","","0.1169","0.1259","","","","","","1.045","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240330","28.5939","0.0014","7.5267","0.0004","19.389","0.0008","90","","121.964","0.001","90","","3540.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(1-benzyl-4-(4-flourophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C19 H16 F N3 O3 -","- C19 H16 F N3 O3 -","- C152 H128 F8 N24 O24 -","8","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.089","0.0524","","","0.1365","0.1614","","","","","","1.043","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240331","8.3157","0.0006","9.5082","0.0008","13.1245","0.001","68.898","0.004","86.538","0.004","85.332","0.004","964.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C40 H36 Cl2 N6 O6 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0789","0.0569","","","0.1503","0.1683","","","","","","1.056","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240332","8.2517","0.0003","17.9945","0.0009","12.2748","0.0006","90","","99.877","0.002","90","","1795.61","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(1-(4-methylbenzyl)-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0796","0.0532","","","0.1483","0.1671","","","","","","1.044","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240333","7.2372","0.0011","12.786","0.0019","14.237","0.002","68.774","0.003","78.572","0.004","81.97","0.004","1200.4","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Cl2 N4 O5 Zn -","- C24 H12 Cl2 N4 O5 Zn -","- C48 H24 Cl4 N8 O10 Zn2 -","2","1","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.139","0.07","","","0.167","0.1936","","","","","","1.093","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240334","7.574","0.0008","12.2366","0.0012","15.0059","0.0015","90","","93.741","0.003","90","","1387.8","0.2","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H21 Cl2 N5 O5 Zn -","- C28 H21 Cl2 N5 O5 Zn -","- C56 H42 Cl4 N10 O10 Zn2 -","2","0.5","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.0392","0.032","","","0.0839","0.0879","","","","","","1.046","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240335","20.337","0.003","10.3082","0.0006","19.214","0.002","90","","94.041","0.011","90","","4018","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cu F18 N2 O6 -","- C29 H30 Cu F18 N2 O6 -","- C116 H120 Cu4 F72 N8 O24 -","4","1","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1739","0.0891","","","0.2499","0.3279","","","","","","1.028","","","","has coordinates","253996","2020-10-21","18:00:00",""
"7240336","10.0639","0.0011","19.418","0.002","34.924","0.004","90","","90","","90","","6824.9","1.3","170","2","170.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cu F18 N2 O6 -","- C25 H22 Cu F18 N2 O6 -","- C200 H176 Cu8 F144 N16 O48 -","8","1","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.0582","0.0539","","","0.1313","0.1339","","","","","","1.104","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240337","105.18","0.02","14.433","0.003","20.46","0.005","90","","101.531","0.011","90","","30433","11","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 F18 N2 Ni O6 -","- C29 H30 F18 N2 Ni O6 -","- C928 H960 F576 N64 Ni32 O192 -","32","4","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1581","0.0969","","","0.2742","0.3297","","","","","","1.036","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240338","107.271","0.005","14.8819","0.0007","20.6549","0.0009","90","","100.871","0.002","90","","32382","3","271","2","271","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Co F18 N2 O6 -","- C29 H30 Co F18 N2 O6 -","- C928 H960 Co32 F576 N64 O192 -","32","4","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1426","0.1004","","","0.2381","0.263","","","","","","0.982","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240339","19.1997","0.0011","7.7319","0.0004","16.5888","0.001","90","","95.914","0.005","90","","2449.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]sulfanyl}phenol","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C96 H112 N16 O8 S8 -","8","1","","Akhmetova, Vnira R.; Akhmadiev, Nail S.; Abdullin, Marat F.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.","Synthesis of new N,N′-Pd(Pt) complexes based on sulfanyl pyrazoles, and investigation of their in vitro anticancer activity","RSC Advances","2020","10","26","15116","15123","10.1039/C9RA09783J","","x-ray","0.71073","MoKα","","0.0644","0.0461","","","0.118","0.1323","","","","","","1.041","","","","has coordinates","258035","2020-10-21","18:00:00",""
"7240340","14.3462","0.0009","8.6625","0.0004","15.5482","0.0008","90","","103.643","0.005","90","","1877.72","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O4 S -","- C19 H23 N3 O4 S -","- C76 H92 N12 O16 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","x-ray","0.71073","MoKα","","0.0688","0.0547","","","0.1302","0.1425","","","","","","1.041","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240341","10.7014","0.0003","16.4238","0.0002","17.7316","0.0004","90","","84.66","0.001","90","","3102.94","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 N4 O11 S2 -","- C31 H34 N4 O11 S2 -","- C124 H136 N16 O44 S8 -","4","0.5","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0385","0.0348","","","0.0911","0.0941","","","","","","1.044","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240342","7.3522","0.0003","8.8174","0.0004","32.2124","0.0015","90","","95.683","0.004","90","","2077.98","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O5 S -","- C23 H25 N3 O5 S -","- C92 H100 N12 O20 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0872","0.0575","","","0.1234","0.1496","","","","","","1.072","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240343","16.3837","0.0003","17.112","0.0004","13.3343","0.0003","90","","96.683","0.001","90","","3712.97","0.14","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Cu N O13.75 -","- C12 H19 Cu N O13.75 -","- C96 H152 Cu8 N8 O110 -","8","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0929","0.0752","","","0.157","0.17","","","","","","1.17","","","","has coordinates,has disorder","250962","2020-10-21","18:00:00",""
"7240344","7.514","0.0004","9.0832","0.0005","11.5882","0.0007","73.946","0.002","89.605","0.002","87.875","0.002","759.54","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cu2 N O11 -","- C12 H13 Cu2 N O11 -","- C24 H26 Cu4 N2 O22 -","2","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0506","0.0374","","","0.0844","0.0929","","","","","","1.044","","","","has coordinates","250962","2020-10-21","18:00:00",""
"7240345","17.4385","0.0006","4.8748","0.0002","25.7168","0.0009","90","","90","","90","","2186.16","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Chloroquinolin","3-((7-chloroquinolin-4-yl)oxy)propan-1-ol","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0292","0.0266","","","0.0682","0.0696","","","","","","1.04","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240346","4.3139","0.0002","25.5732","0.0014","9.571","0.0005","90","","102.074","0.002","90","","1032.52","0.09","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0624","0.0411","","","0.0786","0.0844","","","","","","1.021","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240347","4.5838","0.0002","14.8986","0.0007","14.9416","0.0007","90","","93.484","0.001","90","","1018.51","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aminoquinolina","2-((7-chloroquinolin-4-yl)amino)ethanol","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.56086","AgKα","","0.0434","0.0341","","","0.0953","0.1008","","","","","","1.045","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240348","8.8174","0.0005","10.8226","0.0008","15.236","0.0012","99.763","0.007","100.739","0.005","96.909","0.005","1390.35","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-bromobenzoate-tin-tetraiodoporphrin","","","- C58 H32 Br2 I4 N4 O4 Sn -","- C58 H32 Br2 I4 N4 O4 Sn -","- C58 H32 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan","Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.","Physical chemistry chemical physics : PCCP","2020","22","20","11558","11566","10.1039/d0cp00351d","","","0.71073","MoKα","","0.0941","0.0575","","","0.1512","0.1669","","","","","","1.052","","","","has coordinates,has disorder","253997","2020-10-21","18:00:00",""
"7240349","9.753","0.0002","10.7232","0.0002","15.0866","0.0003","99.562","0.001","103.457","0.002","93.415","0.002","1505.21","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Chlorobenzoate-tin-tetraiodoporphrin","","","- C58 H32 Cl2 I4 N4 O4 Sn -","- C58 H32 Cl2 I4 N4 O4 Sn -","- C58 H32 Cl2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan","Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.","Physical chemistry chemical physics : PCCP","2020","22","20","11558","11566","10.1039/d0cp00351d","","","0.71073","MoKα","","0.0517","0.0433","","","0.1155","0.1211","","","","","","1.078","","","","has coordinates","253997","2020-10-21","18:00:00",""
"7240350","10.0767","0.0001","20.4313","0.0001","13.8429","0.0001","90","","109.817","0.001","90","","2681.2","0.04","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Bi -","- C36 H27 Bi -","- C144 H108 Bi4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54184","CuKα","","0.0269","0.0235","","","0.0568","0.0586","","","","","","1.082","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240351","15.1772","0.0005","6.7889","0.0003","19.209","0.0007","90","","99.773","0.003","90","","1950.51","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H21 Bi -","- C25 H21 Bi -","- C100 H84 Bi4 -","4","2","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54184","CuKα","","0.0591","0.0533","","","0.1422","0.1489","","","","","","1.092","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240352","9.3194","0.0009","9.6034","0.0009","12.8339","0.0012","108.743","0.003","99.713","0.003","103.712","0.003","1018.57","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Bi I -","- C24 H19 Bi I -","- C48 H38 Bi2 I2 -","2","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0545","0.0526","","","0.1411","0.1427","","","","","","1.087","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240353","9.4889","0.0009","9.9731","0.0009","14.6288","0.0013","102.42","0.003","93.506","0.003","92.701","0.003","1346.9","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Bi2 I4 -","- C24 H18 Bi2 I4 -","- C48 H36 Bi4 I8 -","2","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0253","0.0241","","","0.0601","0.0609","","","","","","1.131","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240354","7.5467","0.0005","9.2977","0.0005","18.6372","0.0012","90","","94.936","0.006","90","","1302.87","0.14","293","7","293","7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Bi Br2 -","- C12 H9 Bi Br2 -","- C48 H36 Bi4 Br8 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0536","0.039","","","0.0936","0.103","","","","","","1.076","","","","has coordinates,has disorder","253998","2020-10-21","18:00:00",""
"7240355","10.0086","0.0007","20.2781","0.0014","13.7772","0.001","90","","109.442","0.002","90","","2636.7","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Sb -","- C36 H27 Sb -","- C144 H108 Sb4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0205","0.0187","","","0.0469","0.0481","","","","","","1.045","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240356","9.9115","0.0007","15.7922","0.0009","13.3369","0.0008","90","","107.717","0.007","90","","1988.5","0.2","115.7","1","115.7","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Bi Br -","- C24 H18 Bi Br -","- C96 H72 Bi4 Br4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0447","0.031","","","0.0624","0.0675","","","","","","1.041","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240357","7.6237","0.0007","9.0462","0.0008","17.654","0.0017","90","","90","","90","","1217.52","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Bi Cl2 -","- C12 H9 Bi Cl2 -","- C48 H36 Bi4 Cl8 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0224","0.0204","","","0.0449","0.0457","","","","","","0.818","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240358","9.9371","0.0003","11.3295","0.0004","17.9137","0.0006","78.588","0.001","86.69","0.001","78.695","0.001","1938.16","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Bi Cl -","- C24 H18 Bi Cl -","- C96 H72 Bi4 Cl4 -","4","2","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54178","CuKα","","0.0222","0.021","","","0.0521","0.0528","","","","","","1.09","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240359","29.004","0.004","37.698","0.006","4.4554","0.0007","90","","90","","90","","4871.5","1.3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C224 H192 N32 O32 -","16","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.1715","0.0919","","","0.1377","0.1637","","","","","","1.223","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240360","7.4213","0.001","4.2957","0.0005","19.13","0.003","90","","92.66","0.004","90","","609.2","0.14","273","2","273","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.0909","0.0616","","","0.1704","0.2011","","","","","","1.092","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240361","16.0432","0.0014","9.9874","0.0009","18.9604","0.0014","90","","101.956","0.008","90","","2972.1","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C136 H112 N32 O16 -","8","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0638","","","","0.2194","","","","","","1.041","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240362","8.9886","0.0008","12.8468","0.001","15.1372","0.0012","71.352","0.004","80.896","0.004","86.548","0.005","1635.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Hamada_GH180_18_11_18","","","- C19 H12 Cl N5 -","- C19 H12 Cl N5 -","- C76 H48 Cl4 N20 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","1.54178","CuKα","","0.0565","0.0441","","","0.1321","0.1438","","","","","","1.598","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240363","7.653","0.011","6.928","0.009","32.82","0.04","90","","94.79","0.03","90","","1734","4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl N4 -","- C21 H13 Cl N4 -","- C84 H52 Cl4 N16 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.08","","","","0.2474","","","","","","1.018","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240364","13.8452","0.0019","7.5282","0.0011","30.459","0.004","90","","90","","90","","3174.7","0.8","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Br N4 O2 -","- C16 H11 Br N4 O2 -","- C128 H88 Br8 N32 O16 -","8","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0807","","","","0.2489","","","","","","0.963","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240365","3.8851","0.0009","19.35","0.004","14.116","0.003","90","","95.964","0.007","90","","1055.5","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl N3 -","- C12 H8 Cl N3 -","- C48 H32 Cl4 N12 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0782","","","","0.2332","","","","","","1.004","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240366","22.8101","0.0009","7.5155","0.0003","24.7196","0.0018","90","","90","","90","","4237.7","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H20 Cl N5 O2 -","- C23 H20 Cl N5 O2 -","- C184 H160 Cl8 N40 O16 -","8","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0428","","","","0.1294","","","","","","1.075","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240367","6.8569","0.0003","9.5546","0.0006","12.4049","0.0006","96.102","0.005","104.127","0.004","93.993","0.005","779.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 I N O -","- C18 H16 I N O -","- C36 H32 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0374","0.0306","","","0.0744","0.0811","","","","","","1.076","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240368","7.113","0.0002","7.7595","0.0003","20.7174","0.0005","98.092","0.002","98.334","0.002","95.893","0.003","1111.25","0.06","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 I N O -","- C28 H20 I N O -","- C56 H40 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0587","0.0499","","","0.1336","0.1414","","","","","","1.079","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240369","15.8711","0.0006","8.04111","0.00018","16.4342","0.0005","90","","117.058","0.004","90","","1867.79","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-Homo-N-2'-deoxy-alfa-adenosine","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C66 H90 N30 O18 -","6","3","","Carnero, Alejandro; Martín-Nieves, Virginia; Sanghvi, Yogesh S.; Russel, Olivia O.; Bassit, Leda; Schinazi, Raymond F.; Fernández, Susana; Ferrero, Miguel","Novel 1′-homo-N-2′-deoxy-α-nucleosides: synthesis, characterization and biological activity","RSC Advances","2020","10","27","15815","15824","10.1039/D0RA03254A","","x-ray","1.54184","CuKα","","0.0485","0.0424","","","0.1102","0.1183","","","","","","1.037","","","","has coordinates","257988","2020-10-21","18:00:00",""
"7240370","8.6989","0.0011","10.7694","0.0015","15.0669","0.0017","90","","99.867","0.012","90","","1390.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Br2 N2 O3 -","- C11 H12 Br2 N2 O3 -","- C44 H48 Br8 N8 O12 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.1174","0.075","","","0.1481","0.1788","","","","","","1.007","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240371","9.0273","0.0013","9.0598","0.0006","16.3781","0.0016","90","","100.771","0.013","90","","1315.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N2 O2 -","- C11 H10 Br2 N2 O2 -","- C44 H40 Br8 N8 O8 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.0685","0.0385","","","0.0684","0.0786","","","","","","1.043","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240372","8.1295","0.0006","12.3462","0.0008","16.9591","0.0007","90","","98.285","0.005","90","","1684.39","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.0592","0.0387","","","0.0861","0.0955","","","","","","1.058","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240373","6.1269","0.0007","9.077","0.0012","17.366","0.002","79.554","0.004","84.737","0.004","81.243","0.005","936.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O -","- C24 H23 N O -","- C48 H46 N2 O2 -","2","1","","Krishna Reddy, Singarajanahalli Mundarinti; Suresh, Pavithira; Thamotharan, Subbiah; Nanubolu, Jagadeesh Babu; Suresh, Surisetti; Selva Ganesan, Subramaniapillai","Substrate controlled, regioselective carbopalladation for the one-pot synthesis of C4-substituted tetrahydroisoquinoline analogues","RSC Advances","2020","10","27","15794","15799","10.1039/D0RA01539C","","","0.71073","MoKα","","0.0681","0.0466","","","0.1479","0.1672","","","","","","1.158","","","","has coordinates","257986","2020-10-21","18:00:00",""
"7240374","16.4079","0.0008","22.3318","0.001","43.2705","0.0019","90","","90","","90","","15855.1","1.3","120","2","120.01","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C288 H288 Cs18 Mo40 Na10 O442 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0469","0.0465","","","0.1306","0.131","","","","","","1.044","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240375","19.0337","0.0007","16.6107","0.0005","43.9445","0.0016","90","","93.491","0.002","90","","13867.8","0.8","120","2","119.98","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C192 H240 Cs22 Mo40 Na24 O408 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0325","0.032","","","0.0904","0.0907","","","","","","1.034","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240376","16.3345","0.0007","43.377","0.0019","22.8979","0.0011","90","","93.6564","0.0018","90","","16191.1","1.3","150","2","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C288 H312 K23 Mo40 Na6 O478 P16 -","2","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0551","0.0531","","","0.1458","0.1478","","","","","","1.028","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240377","44.727","0.003","17.6015","0.001","32.7474","0.0018","90","","92.424","0.002","90","","25758","3","120","2","119.95","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H114 Mo20 Na23 O210.5 P8 -","- C96 H114 Mo20 Na23 O210.5 P8 -","- C384 H456 Mo80 Na92 O842 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.053","0.0524","","","0.1406","0.1412","","","","","","1.032","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240378","36.048","0.002","16.1202","0.0009","47.517","0.003","90","","111.956","0.004","90","","25609","3","130","2","130.15","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C384 H440 K80 Mo80 Na6 O772 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0454","0.0449","","","0.1223","0.1226","","","","","","1.067","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240379","16.2743","0.0014","23.885","0.002","23.974","0.002","100.808","0.003","95.617","0.003","91.227","0.003","9102.2","1.3","120","2","120.04","","","","","","","","","6","P 1","P 1","1","","","","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.068","0.0671","","","0.1833","0.1842","","","","","","1.037","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240380","16.4104","0.001","22.5164","0.0013","24.1911","0.0016","82.942","0.002","70.254","0.002","82.498","0.002","8311.3","0.9","150","2","150","","","","","","","","","6","P 1","P 1","1","","","","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0427","0.042","","","0.1085","0.109","","","","","","1.033","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240381","12.8132","0.0006","14.3594","0.0007","15.7145","0.0007","101.9","0.001","92.764","0.001","115.578","0.001","2520.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Ag8 F9 N O6 -","- C38 H48 Ag8 F9 N O6 -","- C76 H96 Ag16 F18 N2 O12 -","2","1","","Shi, Ju-Feng; Chen, Zhi-Jin; Zhang, Liu-Jie; Zhou, Kun; Ji, Jiu-Yu; Bi, Yan-Feng","A one-dimensional infinite silver alkynyl assembly [Ag8(CCtBu)5(CF3COO)3(CH3CN)]n: synthesis, crystal structure and properties","RSC Advances","2020","10","27","16045","16049","10.1039/D0RA01703E","","","0.71073","MoKα","","0.0336","0.0264","","","0.0612","0.0654","","","","","","1.024","","","","has coordinates,has disorder","257985","2020-10-21","18:00:00",""
"7240382","24.0649","0.0006","30.3771","0.0007","18.2553","0.0005","90","","90","","90","","13345","0.6","293","2","296","","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C60 H96 Co3 F20 N30 O90 V2 W18 -","- C60 H40 Co3 F20 N30 O64 V2 W18 -","- C240 H160 Co12 F80 N120 O256 V8 W72 -","4","0.5","","Shen, Nan; Feng, Tian; Chang, Jun; Huang, Kunlin; Zhang, Zhi-Hui; Feng, Xuejun; Gu, Jiande; Chen, Sheng-Chun; He, Mingyang; Chen, Qun","An unprecedented cobalt(II)-containing Wells-Dawson-type tungstovanadate-based metal-organic framework as efficient catalyst for ring-opening polymerization of -caprolactone","CrystEngComm","2020","","","","","10.1039/D0CE00309C","","","0.71073","MoKα","","0.0782","0.0607","","","0.1607","0.1784","","","","","","1.02","","","","has coordinates","251113","2020-10-21","18:00:00",""
"7240383","7.8352","0.0006","8.9191","0.0007","9.4663","0.0007","111.55","0.007","107.076","0.007","100.662","0.006","555.34","0.09","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C22 H18 F2 N4 O12 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.093","0.09","","","0.2227","0.2295","","","","","","1.023","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240384","7.2314","0.0004","9.9761","0.0006","10.2732","0.0005","103.754","0.005","102.275","0.005","108.186","0.005","650.04","0.07","150","10","150","10","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F N2 O8 -","- C11 H13 F N2 O8 -","- C22 H26 F2 N4 O16 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.0484","0.0404","","","0.0988","0.1075","","","","","","1.097","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240385","9.5121","0.0004","5.5084","0.0003","21.2993","0.0008","90","","94.115","0.004","90","","1113.13","0.09","150","10","150","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C44 H36 F4 N8 O24 -","4","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54178","CuKα","","0.0469","0.0393","","","0.106","0.1121","","","","","","1.131","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240386","12.0896","0.0001","13.6597","0.0002","17.8304","0.0002","90","","101.535","0.001","90","","2885.05","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br2 Cu4 N9 O -","- C25 H25 Br2 Cu4 N9 O -","- C100 H100 Br8 Cu16 N36 O4 -","4","1","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0926","0.0422","","","0.0906","0.1064","","","","","","1.024","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240387","7.0225","0.0001","8.3565","0.0002","11.6598","0.0002","87.609","0.001","79.128","0.001","72.938","0.001","642.31","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","1","0.5","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0405","0.0279","","","0.0525","0.0564","","","","","","1.061","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240388","8.876","0.0018","6.933","0.0014","18.664","0.004","90","","93.56","0.03","90","","1146.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl8 Cu4 N8 O4 -","- C36 H48 Cl8 Cu4 N8 O4 -","- C36 H48 Cl8 Cu4 N8 O4 -","1","0.25","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.63","synchrotron","","0.0612","0.0577","","","0.1719","0.1742","","","","","","1.139","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240389","11.3629","0.0019","6.8532","0.0011","19.328","0.003","90","","104.988","0.004","90","","1453.9","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl2 Cu N3 -","- C13 H19 Cl2 Cu N3 -","- C52 H76 Cl8 Cu4 N12 -","4","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.71073","MoKα","","0.1051","0.0431","","","0.083","0.1178","","","","","","1.029","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240390","19.134","0.004","8.72","0.0017","7.476","0.0015","90","","93.41","0.03","90","","1245.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl2 Cu N2 O -","- C10 H14 Cl2 Cu N2 O -","- C40 H56 Cl8 Cu4 N8 O4 -","4","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.61","synchrotron","","0.0449","0.0418","","","0.1191","0.1215","","","","","","1.101","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240391","7.255","0.0015","8.96","0.0018","11.553","0.002","96.81","0.03","102.83","0.03","113.02","0.03","656","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Cl2 Cu N3 -","- C11 H17 Cl2 Cu N3 -","- C22 H34 Cl4 Cu2 N6 -","2","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.61","synchrotron","","0.0676","0.0519","","","0.1399","0.1532","","","","","","1.086","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240392","19.99","0.004","16.865","0.003","18.965","0.003","90","","90.338","0.01","90","","6394","2","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ni(phpyNO)2(NCS)2]","","- C32 H34 N6 Ni O2 S2 -","- C32 H34 N6 Ni O2 S2 -","- C256 H272 N48 Ni8 O16 S16 -","8","2","","Kyoden, Yukiya; Ishida, Takayuki","An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)2(NCS)2] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide)","RSC Advances","2020","10","27","16009","16015","10.1039/D0RA02041A","","","0.71073","MoKα","","0.2057","0.0997","","","0.1914","0.2298","","","","","","1.015","","","","has coordinates","257987","2020-10-21","18:00:00",""
"7240393","17.0732","0.0019","19.194","0.003","20.667","0.003","90","","90","","90","","6772.6","1.6","400","","400","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Ni(phpyNO)2(NCS)2]","","- C32 H34 N6 Ni O2 S2 -","- C32 H34 N6 Ni O2 S2 -","- C256 H272 N48 Ni8 O16 S16 -","8","1","","Kyoden, Yukiya; Ishida, Takayuki","An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)2(NCS)2] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide)","RSC Advances","2020","10","27","16009","16015","10.1039/D0RA02041A","","","0.71073","MoKα","","0.1954","0.0698","","","0.1227","0.1563","","","","","","1.015","","","","has coordinates,has disorder","257987","2020-10-21","18:00:00",""
"7240394","6.816","0.0014","25.702","0.005","12.914","0.003","90","","92.384","0.004","90","","2260.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 B9 N2 O3.5 Ru -","- C15 H23 B9 N2 O3 Ru -","- C60 H92 B36 N8 O12 Ru4 -","4","1","","Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia","Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application","RSC Advances","2020","10","28","16266","16276","10.1039/D0RA01522A","","","0.71073","MoKα","","0.0382","0.0332","","","0.0818","0.0846","","","","","","1.088","","","","has coordinates,has disorder","257960","2020-10-21","18:00:00",""
"7240395","12.589","0.002","11.463","0.002","14.575","0.002","90","","111.301","0.002","90","","1959.6","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 B9 N2 O Ru -","- C15 H23 B9 N2 O Ru -","- C60 H92 B36 N8 O4 Ru4 -","4","1","","Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia","Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application","RSC Advances","2020","10","28","16266","16276","10.1039/D0RA01522A","","","0.71073","MoKα","","0.0389","0.0308","","","0.0745","0.0802","","","","","","1.031","","","","has coordinates","257960","2020-10-21","18:00:00",""
"7240396","5.8035","0.0006","12.8761","0.0015","13.1702","0.0013","66.778","0.004","82.336","0.005","86.696","0.005","896.34","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O8 -","- C46 H38 O8 -","- C46 H38 O8 -","1","0.5","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0376","0.0342","","","0.0888","0.0914","","","","","","1.025","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240397","10.369","0.0009","10.4966","0.0009","15.0556","0.0013","101.026","0.002","95.922","0.001","96.615","0.001","1584.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cd N4 O9 -","- C31 H34 Cd N4 O9 -","- C62 H68 Cd2 N8 O18 -","2","1","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0669","0.0523","","","0.1365","0.1452","","","","","","0.983","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240398","9.8013","0.0012","10.0715","0.0012","11.7314","0.0014","91.3034","0.0015","91.6389","0.0014","111.561","0.0014","1075.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-2-iodo-1,3-bis{[4-trifluoromethyl)phenyl]ethynyl}benzene","","- C24 H10 Cl F6 I -","- C24 H10 Cl F6 I -","- C48 H20 Cl2 F12 I2 -","2","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0441","0.0356","","","0.0967","0.1027","","","","","","1.05","","","","has coordinates","257961","2020-10-21","18:00:00",""
"7240399","12.1687","0.0008","4.3193","0.0003","27.7962","0.0017","90","","90.1567","0.0009","90","","1460.97","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-diiodo-3-{[4-(trifluoromethyl)phenyl]ethynyl}benzene","","- C15 H7 F3 I2 -","- C15 H7 F3 I2 -","- C60 H28 F12 I8 -","4","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0281","0.025","","","0.0563","0.0575","","","","","","1.161","","","","has coordinates,has disorder","257961","2020-10-21","18:00:00",""
"7240400","8.4281","0.0005","9.5746","0.0005","11.4227","0.0006","72.6614","0.0008","71.6046","0.0007","64.6041","0.0007","775.78","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-1,2-diiodo-3-{[4-(trifluoromethyl)phenyl]ethynyl}benzene","","- C15 H6 Cl F3 I2 -","- C15 H6 Cl F3 I2 -","- C30 H12 Cl2 F6 I4 -","2","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0207","0.018","","","0.0414","0.0426","","","","","","1.021","","","","has coordinates,has disorder","257961","2020-10-21","18:00:00",""
"7240401","4.1529","0.00008","11.4859","0.0002","30.5943","0.0006","90","","90","","90","","1459.34","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-fluoro-1,2-diiodo-3-[(4-methoxyphenyl)ethynyl]benzene","","- C15 H9 F I2 O -","- C15 H9 F I2 O -","- C60 H36 F4 I8 O4 -","4","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","1.54178","CuKα","","0.015","0.0149","","","0.0379","0.038","","","","","","1.112","","","","has coordinates","257961","2020-10-21","18:00:00",""
"7240402","7.53409","0.00009","7.53409","0.00009","42.4001","0.0005","90","","90","","90","","2406.74","0.05","294","2","294","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H28 Cl N3 O3 S -","- C24 H28 Cl N3 O3 S -","- C96 H112 Cl4 N12 O12 S4 -","4","1","","Bhandari, Sonal; Sana, Sravani; Lahoti, Vandana; Tokala, Ramya; Shankaraiah, Nagula","Ring-opening cyclization of activated spiro-aziridine oxindoles with heteroarenes: a facile synthetic approach to spiro-oxindole-fused pyrroloindolines","RSC Advances","2020","10","27","16101","16109","10.1039/D0RA00684J","","","0.71073","MoKα","","0.113","0.0689","","","0.1226","0.1363","","","","","","1.086","","","","has coordinates","257989","2020-10-21","18:00:00",""
"7240403","6.593","0.0005","17.391","0.0013","6.667","0.0004","90","","96.506","0.002","90","","759.51","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 K N3 O5 -","- C4 H4 K N3 O5 -","- C16 H16 K4 N12 O20 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0585","0.0434","","","0.1086","0.1168","","","","","","1.015","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240404","8.5165","0.0007","10.349","0.0009","7.679","0.0006","90","","98.841","0.002","90","","668.76","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N3 O4 Rb -","- C4 H2 N3 O4 Rb -","- C16 H8 N12 O16 Rb4 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0445","0.0337","","","0.0754","0.0785","","","","","","1.051","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240405","8.4707","0.0006","10.5631","0.0009","8.1634","0.0007","90","","97.822","0.001","90","","723.64","0.1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cs N3 O4 -","- C4 H2 Cs N3 O4 -","- C16 H8 Cs4 N12 O16 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.1618","0.0944","","","0.2263","0.2655","","","","","","1.048","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240406","5.158","0.0004","8.074","0.0006","10.088","0.0008","68.653","0.001","77.889","0.001","85.133","0.002","382.57","0.05","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","1","0.5","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0594","0.0493","","","0.1422","0.1504","","","","","","1.093","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240407","7.2918","0.0005","5.987","0.0004","36.209","0.002","90","","90","","90","","1580.74","0.17","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0879","0.0741","","","0.2017","0.2197","","","","","","1.13","","","","has coordinates,has disorder","251199","2020-10-21","18:00:00",""
"7240408","15.8989","0.0017","6.0142","0.0006","17.7912","0.0019","90","","97.217","0.005","90","","1687.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 O4 Pt -","- C46 H30 O4 Pt -","- C92 H60 O8 Pt2 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0962","0.0458","","","0.0728","0.0912","","","","","","1.032","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240409","13.093","0.007","5.92","0.004","21.808","0.012","90","","102.07","0.011","90","","1653","1.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 Cu O4 -","- C46 H30 Cu O4 -","- C92 H60 Cu2 O8 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0792","0.0452","","","0.0891","0.1048","","","","","","1.078","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240410","35.924","0.006","6.0389","0.0011","16.287","0.003","90","","109.919","0.005","90","","3321.9","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 O4 Pd -","- C46 H30 O4 Pd -","- C184 H120 O16 Pd4 -","4","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0816","0.0453","","","0.091","0.1095","","","","","","1.046","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240411","6.0178","0.0013","10.934","0.002","22.509","0.005","90","","95.035","0.004","90","","1475.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0571","0.0452","","","0.1197","0.1278","","","","","","1.055","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240412","8.3601","0.0007","8.3601","0.0007","13.3968","0.0012","90","","90","","120","","810.88","0.12","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C42 H30 O6 -","3","0.5","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0313","0.0295","","","0.0685","0.0695","","","","","","1.105","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240413","19.711","0.002","7.4314","0.0009","20.568","0.002","90","","90","","90","","3012.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.1048","0.0611","","","0.1553","0.2427","","","","","","1.156","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240414","23.502","0.002","3.9358","0.0003","15.1235","0.0012","90","","105.082","0.002","90","","1350.72","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O4 -","- C17.024 H14 O4 -","- C68.096 H56 O16 -","4","0.5","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0537","0.0379","","","0.0865","0.0944","","","","","","1.044","","","","has coordinates,has disorder","257606","2020-10-21","18:00:00",""
"7240415","9.3322","0.0005","10.0321","0.0005","11.8425","0.0006","95.845","0.002","105.956","0.002","109.513","0.002","981.56","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0566","0.0397","","","0.1006","0.1081","","","","","","1.139","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240416","8.2958","0.0008","7.8128","0.0007","14.5059","0.0016","90","","98.757","0.003","90","","929.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F O2 -","- C11 H9 F O2 -","- C44 H36 F4 O8 -","4","1","","Zhang, Zhipeng; Yu, Yang; Xie, Yuxing; Hughes, Timothy; Xu, Jun; Huang, Fei; Huang, He","Catalytic C‒C coupling of diazo compounds with arylboronic acids: using surface modified sewage sludge as catalyst","Green Chemistry","2020","22","13","4165","4173","10.1039/D0GC00317D","","","0.71073","MoKα","","0.0586","0.0487","","","0.1343","0.1458","","","","","","1.031","","","","has coordinates","257603","2020-10-21","18:00:00",""
"7240417","19.6366","0.0009","21.2636","0.0011","11.5383","0.0006","90","","101.743","0.002","90","","4716.9","0.4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F6 N2 O7 Tb -","- C24 H10 F6 N2 O7 Tb -","- C192 H80 F48 N16 O56 Tb8 -","8","1","","Yu, Hai-Huan; Chi, Jia-Qi; Su, Zhong-Min; Li, Xiao; Sun, Jing; Zhou, Chen; Hu, Xiao-Li; Liu, Qun","A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater","CrystEngComm","2020","","","","","10.1039/D0CE00430H","","x-ray","0.71073","MoKα","","0.0368","0.0292","","","0.0691","0.0731","","","","","","1.042","","","","has coordinates","251252","2020-10-21","18:00:00",""
"7240418","21.824","0.006","22.95","0.006","14.977","0.004","90","","90","","90","","7501","3","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C24 H16 Cu2 N4 O10 -","- C24 H16 Cu2 N4 O10 -","- C192 H128 Cu16 N32 O80 -","8","0.5","","He, Cheng; Hou, Chao; Wang, Yumin; Gong, Xue Yong; Jiang, Hong Li; Sun, YongBin; Liu, Kun; Cao, Xiao Qun","Open metal sites(OMSs) and Lewis basic sites(LBSs) -functionalized copper-organic framework with high CO2 uptake performance and highly selective CO2/N2 and CO2/CH4 separation","CrystEngComm","2020","","","","","10.1039/C9CE02005E","","","0.71073","MoKα","","0.0656","0.0637","","","0.185","0.1864","","","","","","1.11","","","","has coordinates,has disorder","251253","2020-10-21","18:00:00",""
"7240419","12.632","0.003","16.415","0.003","20.567","0.004","90","","90","","90","","4264.7","1.5","113","2","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10.5 H15 N12 O16.5 -","- C10.5 H15 N12 O16.5 -","- C84 H120 N96 O132 -","8","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.052","0.0426","","","0.0864","0.0918","","","","","","0.989","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240420","13.344","0.003","8.2595","0.0017","24.392","0.005","90","","103.25","0.03","90","","2616.8","1","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N14 O14 -","- C14 H24 N14 O14 -","- C56 H96 N56 O56 -","4","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0785","0.0591","","","0.1434","0.1552","","","","","","1","","","","has coordinates,has disorder","251254","2020-10-21","18:00:00",""
"7240421","16.135","0.003","12.819","0.003","20.762","0.004","90","","90","","90","","4294.3","1.5","113","2","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N12 O16 S -","- C10 H16 N12 O16 S -","- C80 H128 N96 O128 S8 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.067","0.0611","","","0.1842","0.1905","","","","","","1.066","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240422","7.9666","0.0016","18.078","0.004","15.915","0.003","90","","96.91","0.03","90","","2275.4","0.8","113","2","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N12 O16 -","- C12 H16 N12 O16 -","- C48 H64 N48 O64 -","4","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0624","0.0443","","","0.101","0.1111","","","","","","1.027","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240423","16.618","0.003","13.005","0.003","21.332","0.004","90","","90","","90","","4610.2","1.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C48 H48 N96 O96 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.1601","0.1404","","","0.3255","0.339","","","","","","1.101","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240424","15.3768","0.0015","4.5578","0.0005","19.4729","0.0019","90","","99.697","0.005","90","","1345.2","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-(benzyloxy)-3-ethoxybenzaldehyde","3-ethoxy-2-(phenylmethoxy)benzaldehyde","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.1308","0.0625","","","0.1444","0.1769","","","","","","1.023","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240425","7.316","0.004","13.239","0.01","12.3","0.008","90","","100.36","0.03","90","","1171.9","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(benzyloxy)-5-bromobenzaldehyde","5-bromo-2-(phenylmethoxy)benzaldehyde","","- C14 H11 Br O2 -","- C14 H11 Br O2 -","- C56 H44 Br4 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0387","0.0263","","","0.0576","0.0618","","","","","","1.047","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240426","4.9219","0.0002","16.3089","0.0006","14.7245","0.0005","90","","99.171","0.002","90","","1166.84","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(benzyloxy)-5-chlorobenzaldehyde","5-chloro-2-(phenylmethoxy)benzaldehyde","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C56 H44 Cl4 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0457","0.0337","","","0.0824","0.088","","","","","","1.046","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240427","11.5088","0.0005","12.9889","0.0006","7.2608","0.0004","90","","90","","90","","1085.39","0.09","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","4-(benzyloxy)benzaldehyde","4-(phenylmethoxybenzaldehyde","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0315","0.0295","","","0.08","0.0822","","","","","","1.047","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240428","7.711","0.0004","7.9405","0.0004","9.1857","0.0005","65.896","0.002","85.99","0.002","70.155","0.002","481.36","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3-methoxy-2-(prop-2-ynyloxy)benzaldehyde","3-methoxy-2-(prop-2-ynoxy)benzaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C22 H20 O6 -","2","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0456","0.0366","","","0.0951","0.1024","","","","","","1.045","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240429","4.0992","0.0002","17.1619","0.0007","18.9382","0.0008","90","","90","","90","","1332.3","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(benzyloxy)-3,5-dibromobenzaldehyde","3,5-dibromo-2-(phenylmethoxy)benzaldehyde","","- C14 H10 Br2 O2 -","- C14 H10 Br2 O2 -","- C56 H40 Br8 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0276","0.0218","","","0.0458","0.0472","","","","","","1.042","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240430","12.4202","0.0006","7.851","0.0004","24.3664","0.0012","90","","98.614","0.003","90","","2349.2","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20.5 N3 O6 -","- C24 H20.5 N3 O6 -","- C96 H82 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0869","0.0723","","","0.2161","0.235","","","","","","1.059","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240431","12.408","0.004","7.7207","0.0014","24.595","0.005","90","","99.138","0.016","90","","2326.3","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.79 H18.58 Cl1.58 N3 O5 -","- C22.789 H18.578 Cl1.578 N3 O5 -","- C91.156 H74.312 Cl6.312 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1181","0.088","","","0.1869","0.2045","","","","","","1.114","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240432","30.1704","0.0017","7.7664","0.0004","24.4219","0.0014","90","","123.587","0.003","90","","4767","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl3 N3 O5 -","- C23 H18 Cl3 N3 O5 -","- C184 H144 Cl24 N24 O40 -","8","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1379","0.0805","","","0.1841","0.2213","","","","","","1.046","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240433","12.3314","0.0006","7.873","0.0004","24.6987","0.0011","90","","99.463","0.002","90","","2365.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O6 -","- C26 H21 N3 O6 -","- C104 H84 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.0719","0.0505","","","0.1269","0.1419","","","","","","1.053","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240434","12.5159","0.0006","7.7861","0.0005","24.3482","0.001","90","","96.499","0.004","90","","2357.5","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N3 O7 -","- C25 H22 N3 O7 -","- C100 H88 N12 O28 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0921","0.0681","","","0.183","0.2066","","","","","","1.047","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240435","12.379","0.0006","7.8469","0.0003","24.9711","0.0011","90","","100.568","0.003","90","","2384.47","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24.01 H21.02 Cl2.01 N3 O5 -","- C24.01 H21.02 Cl2.01 N3 O5 -","- C96.04 H84.08 Cl8.04 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1701","0.1356","","","0.36","0.3902","","","","","","1.422","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240436","16.9444","0.0013","9.1089","0.0007","17.4069","0.0014","90","","114.184","0.0017","90","","2450.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dicarbonyl(4-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C112 H72 Fe8 N8 O16 -","8","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0709","0.0523","","","0.1134","0.1221","","","","","","1.083","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240437","9.4258","0.0005","9.5785","0.0005","13.833","0.0007","90","","109.534","0.001","90","","1177.03","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicarbonyl(3-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C56 H36 Fe4 N4 O8 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0612","0.0395","","","0.0798","0.0895","","","","","","1.046","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240438","9.4756","0.0002","9.7388","0.0002","13.6391","0.0003","90","","108.834","0.001","90","","1191.24","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicarbonyl(2-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C56 H36 Fe4 N4 O8 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.044","0.031","","","0.0751","0.0821","","","","","","1.049","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240439","6.4302","0.0005","11.8451","0.001","17.9823","0.0015","90","","93.765","0.002","90","","1366.69","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Fe N2 O2 S -","- C15 H8 Fe N2 O2 S -","- C60 H32 Fe4 N8 O8 S4 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0738","0.0496","","","0.0996","0.1087","","","","","","1.076","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240440","9.14","0.0009","12.8784","0.0012","19.5628","0.0019","90","","95.859","0.011","90","","2290.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Mn N2 O6 -","- C23 H27 Mn N2 O6 -","- C92 H108 Mn4 N8 O24 -","4","1","","Rayati, Saeed; Khodaei, Elham; Nafarieh, Parinaz; Jafarian, Majid; Elmi, Bahareh; Wojtczak, Andrzej","A manganese(iii) Schiff base complex immobilized on silica-coated magnetic nanoparticles showing enhanced electrochemical catalytic performance toward sulfide and alkene oxidation","RSC Advances","2020","10","29","17026","17036","10.1039/D0RA02728F","","","0.71073","MoKα","","0.0591","0.0418","","","0.0949","0.102","","","","","","1.055","","","","has coordinates","257959","2020-10-21","18:00:00",""
"7240441","20.2031","0.0008","20.2031","0.0008","13.2367","0.0007","90","","90","","90","","5402.8","0.4","293","2","293.15","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C36 H30 N2 -","- C36 H30 N2 -","- C288 H240 N16 -","8","0.5","","Zhang, Hua; Zhan, Xiao-Yu; Dong, Yu; Yang, Jian; He, Shuai; Shi, Zhi-Chuan; Zhang, Xiao-Mei; Wang, Ji-Yu","Dehydration in water: frustrated Lewis pairs directly catalyzed allylization of electron-rich arenes and allyl alcohols","RSC Advances","2020","10","29","16942","16948","10.1039/D0RA02912B","","x-ray","0.71073","MoKα","","0.1507","0.0756","","","0.2006","0.2523","","","","","","1.069","","","","has coordinates","257958","2020-10-21","18:00:00",""
"7240442","13.7508","0.0009","5.6719","0.0004","26.3268","0.0015","90","","97.603","0.005","90","","2035.3","0.2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","","Zhang, Hua; Zhan, Xiao-Yu; Dong, Yu; Yang, Jian; He, Shuai; Shi, Zhi-Chuan; Zhang, Xiao-Mei; Wang, Ji-Yu","Dehydration in water: frustrated Lewis pairs directly catalyzed allylization of electron-rich arenes and allyl alcohols","RSC Advances","2020","10","29","16942","16948","10.1039/D0RA02912B","","x-ray","0.71073","MoKα","","0.0781","0.0514","","","0.1046","0.1173","","","","","","1.018","","","","has coordinates","257958","2020-10-21","18:00:00",""
"7240443","38.544","0.004","5.1102","0.0009","11.6487","0.0018","90","","90","","90","","2294.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","2","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.1406","0.0712","","","0.1668","0.2128","","","","","","0.934","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240444","20.486","0.002","3.9298","0.0004","13.6374","0.0012","90","","90","","90","","1097.89","0.18","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.0852","0.0542","","","0.1367","0.1603","","","","","","1.004","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240445","11.864","0.003","11.162","0.003","13.889","0.005","90","","99.31","0.03","90","","1815","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.2181","0.0746","","","0.1287","0.1705","","","","","","0.884","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240446","20.522","0.005","3.8101","0.0012","26.193","0.008","90","","102.39","0.03","90","","2000.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C88 H72 N8 O32 -","8","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.2002","0.0758","","","0.1904","0.247","","","","","","0.858","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240447","11.0926","0.0006","14.8423","0.0008","25.6676","0.0014","90","","90","","90","","4225.9","0.4","104","2","104","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O5 S -","- C20 H22 N4 O5 S -","- C160 H176 N32 O40 S8 -","8","1","","Ahuja, Dipali; Svärd, Michael; Lusi, Matteo; Rasmuson, Ake","Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine ‒ 3- methylsalicylic acid co-crystal","CrystEngComm","2020","","","","","10.1039/D0CE00498G","","","0.71076","MoKα","","0.0726","0.0535","","","0.1113","0.1183","","","","","","1.159","","","","has coordinates","251516","2020-10-21","18:00:00",""
"7240448","12.925","0.001","12.925","0.001","7.9339","0.0007","90","","90","","120","","1147.83","0.16","300","","300","","","","","","","","","4","P -3","-P 3","147","K-PreAFY","","","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","1","0.166667","","Maeda, Kazuyuki; Wakui, Kentaro; Arakawa, Kyosuke; Kondo, Atsushi","First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor","CrystEngComm","2020","","","","","10.1039/D0CE00644K","powder diffraction","","0.7994","synchrotron","","0.00859","","","","","","0.00851","0.01792","6.4863","","","","","","","has coordinates","251517","2020-10-21","18:00:00",""
"7240449","9.3207","0.0008","10.8786","0.0012","14.8658","0.001","95.037","0.007","96.282","0.006","100.049","0.008","1466.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N O5 -","- C35 H35 N O5 -","- C70 H70 N2 O10 -","2","1","","Ma, Xiao-Pan; Nong, Cai-Mei; Liang, Yu-Feng; Xu, Pei-Pei; Guo, Xiu-Yun; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","An Yb(OTf)3 and visible light relay catalyzed [3 + 2] cycloaddition/[3,3]-rearrangement/[4 + 2] cycloaddition in one pot to prepare oxazonine-fused endoperoxides","Green Chemistry","2020","22","12","3827","3834","10.1039/D0GC00929F","","","0.71073","MoKα","","0.1101","0.0581","","","0.1216","0.1575","","","","","","1.057","","","","has coordinates","257622","2020-10-21","18:00:00",""
"7240450","7.8002","0.0003","7.8688","0.0003","11.9165","0.0005","106.389","0.001","91.057","0.001","93.117","0.001","700.22","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","1","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0343","0.0243","","","0.0598","0.0645","","","","","","1.064","","","","has coordinates","251789","2020-10-21","18:00:00",""
"7240451","7.851","0.002","7.792","0.002","12.456","0.003","90","","105.148","0.007","90","","735.5","0.3","383","2","383","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","0.5","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0681","0.0522","","","0.0977","0.1048","","","","","","1.152","","","","has coordinates,has disorder","251789","2020-10-21","18:00:00",""
"7240452","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Mian, Mohammad Rasel; Afrin, Unjila; Iguchi, Hiroaki; Takaishi, Shinya; Yoshida, Takefumi; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-ichi; Yamashita, Masahiro","Conductive zigzag Pd(III)‒Br chain complex realized by multiple-hydrogen-bond approach","CrystEngComm","2020","","","","","10.1039/D0CE00332H","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251790","2020-10-21","18:00:00",""
"7240453","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Wang, Mengdie; Zhang, Jian; Sun, Yun-Kai; Wei, Jing; Tan, Chunhong; Wang, Xiao-Feng","Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00513D","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251791","2020-10-21","18:00:00",""
"7240454","11.9592","0.0003","12.7479","0.0002","31.1058","0.0006","90","","108.827","0.001","90","","4488.5","0.16","333","","333","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Bi2 Cl10 N4 -","- C24 H56 Bi2 Cl10 N4 -","- C96 H224 Bi8 Cl40 N16 -","4","1","","Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua","Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition","RSC Advances","2020","10","30","17492","17496","10.1039/C9RA09289G","","x-ray","0.71073","MoKα","","0.0781","0.04","","","0.0849","0.1006","","","","","","1.038","","","","has coordinates,has disorder","258099","2020-10-21","18:00:00",""
"7240455","11.9718","0.0004","12.4092","0.0004","15.839","0.0006","76.474","0.001","69.245","0.001","89.323","0.001","2132.77","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H56 Bi2 Cl10 N4 -","- C24 H56 Bi2 Cl10 N4 -","- C48 H112 Bi4 Cl20 N8 -","2","1","","Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua","Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition","RSC Advances","2020","10","30","17492","17496","10.1039/C9RA09289G","","","0.71073","MoKα","","0.0671","0.052","","","0.1444","0.1556","","","","","","1.047","","","","has coordinates","258099","2020-10-21","18:00:00",""
"7240456","9.017","0.003","9.118","0.003","9.594","0.003","90","","95.676","0.013","90","","784.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 I N O S3 -","- C4 I N O S3 -","- C16 I4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0843","0.0521","","","0.1214","0.1477","","","","","","1.091","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240457","15.9488","0.0017","12.5276","0.0012","16.2505","0.0018","90","","92.452","0.006","90","","3243.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 I2 N3 Ni S6 -","- C22 H36 I2 N3 Ni S6 -","- C88 H144 I8 N12 Ni4 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.1443","0.0562","","","0.1314","0.1621","","","","","","0.983","","","","has coordinates,has disorder","251826","2020-10-21","18:00:00",""
"7240458","15.6439","0.001","12.2704","0.0008","16.6152","0.0011","90","","93.368","0.003","90","","3183.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C88 H144 Au4 I8 N12 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0773","0.0671","","","0.1651","0.1765","","","","","","1.034","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240459","11.1817","0.0005","13.2215","0.0005","11.5412","0.0004","90","","91.649","0.002","90","","1705.53","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C44 H72 Au2 I4 N6 S12 -","2","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0831","0.0509","","","0.0946","0.1078","","","","","","1.028","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240460","3.9123","0.0002","16.5922","0.0011","9.7464","0.0005","90","","98.329","0.003","90","","626","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H N O S3 -","- C4 H N O S3 -","- C16 H4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0485","0.0377","","","0.0763","0.0805","","","","","","1.09","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240461","22.684","0.0006","22.684","0.0006","22.684","0.0006","90","","90","","90","","11672.4","0.5","293","2","293","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","ZIF-76 mbIm","Zn(Im)1.20(ClFbIm)0.80","","- C240 H220.8 N96 O8 Zn24 -","- C10.079 H5.58 N4 O0.333333 Zn -","- C241.896 H133.92 N96 O8 Zn24 -","24","1","","Bumstead, Alice M.; Gómez, María Laura Ríos; Thorne, Michael Francis; Sapnik, Adam F.; Longley, Louis; Tuffnell, Joshua Mark; Keeble, Dean S.; Keen, David A.; Bennett, Thomas Douglas","Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00408A","","","1.54184","CuKα","","0.1424","0.1156","","","0.2989","0.3534","","","","","","1.365","","","","has coordinates,has disorder","251827","2020-10-21","18:00:00",""
"7240462","5.4015","0.0006","11.0987","0.0011","13.6141","0.0017","90","","97.202","0.012","90","","809.72","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2,6-diaminobenzoate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0579","0.0453","","","0.1038","0.1101","","","","","","1.06","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240463","9.7212","0.0003","35.4733","0.0012","26.2238","0.001","90","","97.36","0.003","90","","8968.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-tosylamino-6-aminobenzoate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C360 H384 N48 O96 S24 -","24","6","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1213","0.0625","","","0.1317","0.158","","","","","","1.024","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240464","7.1001","0.0004","10.8475","0.0007","16.4165","0.0011","90","","94.379","0.006","90","","1260.68","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl2,6-dinitrobenzoate bis HBF4 salt","","- C8 H12 B2 F8 N2 O2 -","- C8 H12 B2 F8 N2 O2 -","- C32 H48 B8 F32 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0625","0.044","","","0.0818","0.0884","","","","","","1.109","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240465","11.5169","0.0008","12.9904","0.001","15.2893","0.0009","67.212","0.006","77.44","0.005","77.991","0.006","2038.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2,6-diaminobenzoate bis BPh3 complex bis acetontrile solvate","","- C48 H46 B2 N4 O2 -","- C48 H46 B2 N4 O2 -","- C96 H92 B4 N8 O4 -","2","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1469","0.0721","","","0.145","0.1797","","","","","","1.043","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240466","7.1708","0.0002","17.5834","0.0006","14.7293","0.0005","90","","98.972","0.001","90","","1834.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl N3 O4 -","- C19 H22 Cl N3 O4 -","- C76 H88 Cl4 N12 O16 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0671","0.0468","","","0.1295","0.1451","","","","","","1.024","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240467","6.9435","0.0003","21.8674","0.0009","11.8018","0.0005","90","","99.86","0.001","90","","1765.47","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N3 O2 -","- C20 H20 Cl N3 O2 -","- C80 H80 Cl4 N12 O8 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0645","0.0466","","","0.1141","0.1241","","","","","","1.026","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240468","6.917","0.0005","8.8668","0.0007","14.1791","0.0012","105.866","0.002","99.29","0.002","96.696","0.002","813.61","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0757","0.0489","","","0.118","0.1332","","","","","","1.021","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240469","14.8763","0.0011","7.2318","0.0005","14.9535","0.0011","90","","102.805","0.002","90","","1568.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N3 O -","- C19 H16 Cl N3 O -","- C76 H64 Cl4 N12 O4 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0753","0.0454","","","0.1129","0.1271","","","","","","1.034","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240470","7.03","0.0013","22.083","0.004","11.555","0.002","90","","97.563","0.006","90","","1778.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N3 O3 -","- C19 H20 Cl N3 O3 -","- C76 H80 Cl4 N12 O12 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71076","MoKα","","0.1794","0.0785","","","0.1827","0.2275","","","","","","1.017","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240471","7.6333","0.0008","11.2359","0.0011","18.1058","0.0018","90","","99.64","0.005","90","","1531","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethane]","","- C28 H32 F2 N8 O6 S2 -","- C28 H32 F2 N8 O6 S2 -","- C56 H64 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0325","0.0292","","","0.0677","0.07","","","","","","1.024","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240472","7.4883","0.0007","11.2957","0.0011","18.1735","0.0018","90","","100.406","0.005","90","","1511.9","0.3","298.15","","298.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethylene]","","- C28 H30 F2 N8 O6 S2 -","- C28 H30 F2 N8 O6 S2 -","- C56 H60 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0427","0.0369","","","0.0838","0.0869","","","","","","1.059","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240473","7.5024","0.0008","11.2194","0.0011","18.2134","0.0018","90","","100.538","0.005","90","","1507.2","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4-azopyridine]'","","- C26 H27 F2 N10 O6 S2 -","- C26 H27 F2 N10 O6 S2 -","- C52 H54 F4 N20 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0591","0.0487","","","0.1106","0.1157","","","","","","1.073","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240474","7.4668","0.001","9.67","0.0014","26.187","0.004","90","","90.087","0.004","90","","1890.8","0.5","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4,4'-bipyridine]","","- C36 H38 F2 N10 O7 S2 -","- C36 H38 F2 N10 O7 S2 -","- C72 H76 F4 N20 O14 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0633","0.0559","","","0.1267","0.1307","","","","","","1.0385","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240475","11.8146","0.0005","12.7494","0.0006","12.7733","0.0006","74.285","0.002","63.823","0.002","83.926","0.002","1661.94","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Au N P S -","- C42 H35 Au N P S -","- C84 H70 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0402","0.0262","","","0.0462","0.0496","","","","","","1.019","","","","has coordinates","254000","2020-10-21","18:00:00",""
"7240476","12.571","0.0008","12.7256","0.0008","13.7715","0.0009","104.775","0.002","104.891","0.002","111.277","0.002","1829.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H53 Au N P S -","- C42 H53 Au N P S -","- C84 H106 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0268","0.0215","","","0.0446","0.0463","","","","","","1.136","","","","has coordinates","254000","2020-10-21","18:00:00",""
"7240477","14.8591","0.0008","15.918","0.0008","24.8004","0.0014","91.478","0.002","98.399","0.002","114.388","0.002","5261.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.61 H67.34 Au N3 S -","- C59.61 H67.34 Au N3 S -","- C238.44 H269.36 Au4 N12 S4 -","4","2","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.054","0.0346","","","0.0871","0.0948","","","","","","1.042","","","","has coordinates,has disorder","254000","2020-10-21","18:00:00",""
"7240478","7.3164","0.001","23.412","0.003","12.3254","0.0017","90","","94.77","0.002","90","","2103.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C72 H48 Co4 N8 O16 -","4","1","","Alotaibi, Nusaybah; Hammud, Hassan H.; Karnati, Ranjith Kumar; Hussain, Syed Ghazanfar; Mazher, Javed; Prakasam, Thirumurugan","Cobalt‒carbon/silica nanocomposites prepared by pyrolysis of a cobalt 2,2′-bipyridine terephthalate complex for remediation of cationic dyes","RSC Advances","2020","10","30","17660","17672","10.1039/D0RA02752A","","","0.71073","MoKα","","0.0543","0.0407","","","0.0945","0.0982","","","","","","1.046","","","","has coordinates","258098","2020-10-21","18:00:00",""
"7240479","11.609","0.012","7.722","0.007","12.775","0.013","90","","90.76","0.03","90","","1145","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.2727","0.0956","","","0.2145","0.2974","","","","","","0.996","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240480","11.4789","0.001","7.7861","0.0006","12.4833","0.0011","90","","91.539","0.003","90","","1115.3","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.1498","0.0828","","","0.2076","0.2513","","","","","","1.022","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240481","11.5168","0.001","7.6482","0.0006","12.8491","0.0011","90","","90.876","0.003","90","","1131.65","0.16","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.166","0.0676","","","0.1503","0.1967","","","","","","1.024","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240482","8.8101","0.0004","17.1707","0.0008","13.2499","0.0007","90","","101.1","0.002","90","","1966.89","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole amantadine salt","4-Amino-N-(1,3-thiazol-2(3H)-ylidene)benzenesulfonamide 1-Adamantylammonium salt","","- C19 H26 N4 O2 S2 -","- C19 H26 N4 O2 S2 -","- C76 H104 N16 O8 S8 -","4","1","","Wang, Ling-Yang; Yu, Yueming; Yu, Ming-Chao; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients","CrystEngComm","2020","","","","","10.1039/D0CE00368A","","","0.71073","MoKα","","0.0949","0.05","","","0.0935","0.1083","","","","","","1.016","","","","has coordinates","251877","2020-10-21","18:00:00",""
"7240483","18.0015","0.0014","18.7263","0.0015","18.8837","0.0016","90","","90","","90","","6365.7","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[4-(2-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide","","- C32 H23 F7 N O5 P S2 -","- C32 H23 F7 N O5 P S2 -","- C256 H184 F56 N8 O40 P8 S16 -","8","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0827","0.0579","","","0.1578","0.1854","","","","","","1.046","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240484","18.1884","0.0008","9.1975","0.0004","18.6788","0.0007","90","","90","","90","","3124.7","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(4-phenoxyphenyl)triphenylphosphonium bistriflimide","","- C32 H24 F6 N O5 P S2 -","- C32 H24 F6 N O5 P S2 -","- C128 H96 F24 N4 O20 P4 S8 -","4","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","1.54178","CuKα","","0.0313","0.0303","","","0.0805","0.0813","","","","","","1.092","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240485","9.5981","0.0008","13.6324","0.0011","22.2398","0.0018","102.938","0.003","92.159","0.003","109.211","0.003","2658.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(4-fluorphenyl)triphenylphosphonium bistriflimide","","- C26 H19 F7 N O4 P S2 -","- C26 H19.0005 F6.9995 N O4 P S2 -","- C104 H76.002 F27.998 N4 O16 P4 S8 -","4","2","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0633","0.044","","","0.1172","0.1276","","","","","","1.035","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240486","18.0534","0.0013","19.0695","0.0014","20.2712","0.0015","90","","114.239","0.003","90","","6363.5","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[4-(3-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide","","- C32 H23 F7 N O5 P S2 -","- C32 H23 F7 N O5 P S2 -","- C256 H184 F56 N8 O40 P8 S16 -","8","2","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0955","0.0534","","","0.1333","0.145","","","","","","1.021","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240487","7.8939","0.0016","8.9985","0.0018","14.466","0.003","85.32","0.03","81.63","0.03","72.73","0.03","970","0.4","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N6 O5 S -","- C17 H19 Cl N6 O5 S -","- C34 H38 Cl2 N12 O10 S2 -","2","1","","Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming","Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil","RSC Advances","2020","10","30","17870","17880","10.1039/D0RA00811G","","","0.71073","MoKα","","0.0676","0.057","","","0.1506","0.1597","","","","","","1.058","","","","has coordinates","258097","2020-10-21","18:00:00",""
"7240488","10.2847","0.0005","17.1412","0.0007","11.241","0.0005","90","","102.533","0.005","90","","1934.48","0.15","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N6 O4 S -","- C16 H19 Cl N6 O4 S -","- C64 H76 Cl4 N24 O16 S4 -","4","1","","Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming","Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil","RSC Advances","2020","10","30","17870","17880","10.1039/D0RA00811G","","","0.71073","MoKα","","0.0589","0.0496","","","0.1274","0.1345","","","","","","1.04","","","","has coordinates","258097","2020-10-21","18:00:00",""
"7240489","9.0093","0.0002","9.0093","0.0002","11.2503","0.0004","90","","90","","120","","790.82","0.04","293","","293","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","catena-(ammonium bis(m2-oxalato)-scandium dihydrate)","","","- C4 N O10 Sc -","- C4 N O10 Sc -","- C12 N3 O30 Sc3 -","3","0.25","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.029","9.801","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240490","17.851","0.002","11.0413","0.0007","18.2806","0.0013","90","","104.189","0.002","90","","3493.2","0.5","253","2","253","","","","","","","","synthetic","5","I 1 2/a 1","-I 2ya","15","","Sodium scandium oxalate hexahydrate","","- C6 H10 Na3 O18 Sc -","- C6 H10 Na3 O18 Sc -","- C48 H80 Na24 O144 Sc8 -","8","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","0.71073","MoKα","","0.0596","0.0373","","","0.0829","0.0915","","","","","","1.033","","","","has coordinates,has disorder","257604","2020-10-21","18:00:00",""
"7240491","15.8839","0.0014","11.4558","0.001","22.7314","0.0019","90","","92.19","0.004","90","","4133.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 K3.5 O20 Sc -","- C7 H12 K3.5 O20 Sc -","- C56 H96 K28 O160 Sc8 -","8","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","1.54178","CuKα","","0.0606","0.0481","","","0.1263","0.1425","","","","","","1.052","","","","has coordinates,has disorder","257604","2020-10-21","18:00:00",""
"7240492","9.0427","0.0002","6.09117","0.00012","7.8999","0.0002","90","","90.182","0.003","90","","435.129","0.017","293","","293","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","catena-(ammonium bis(m2-oxalato)-ytterbium hydrate)","","","- C4 N O9 Yb -","- C4 N O9 Yb -","- C8 N2 O18 Yb2 -","2","0.5","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.015","3.396","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240493","8.4883","0.0002","9.3894","0.0003","9.7552","0.0002","98.255","0.002","91.154","0.002","96.544","0.003","763.89","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","catena-(potassium bis(m2-oxalato)-europium hydrate)","","","- C6 Eu K3 O15 -","- C6 Eu K3 O15 -","- C12 Eu2 K6 O30 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.023","2.282","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240494","8.4795","0.0008","9.3708","0.0009","9.7323","0.0009","98.377","0.004","91.097","0.004","96.629","0.004","759.45","0.12","100","2","100","","","","","","","","synthetic","5","P -1","-P 1","2","","Tripotassium gadolinium oxalate trihydrate","","- C6 H6 Gd K3 O15 -","- C6 H6 Gd K3 O15 -","- C12 H12 Gd2 K6 O30 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","","0.71073","MoKα","","0.021","0.0174","","","0.0369","0.0379","","","","","","1.046","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240495","9.5867","0.0002","6.64358","0.00016","6.25859","0.00016","98.1966","0.0017","99.4509","0.0019","75.113","0.002","377.889","0.016","293","","293","","","","","","","","","3","P -1","-P 1","2","catena-(tetra-aqua-tris(m2-oxalato-O,O',O'',O''')-di-lutecium(iii)) dihydrate","","","- C3 Lu O9 -","- C3 Lu O9 -","- C6 Lu2 O18 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.027","5.391","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240496","11.4151","0.0008","12.6781","0.0009","11.4093","0.0008","90","","111.9","0.002","90","","1532.02","0.19","100","2","100","","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","","Potassium scandium oxalate","","- C6 H8 K3 O16 Sc -","- C6 H8 K3 O16 Sc -","- C24 H32 K12 O64 Sc4 -","4","0.5","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","0.71073","MoKα","","0.0184","0.018","","","0.0474","0.0478","","","","","","1.102","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240497","20.7914","0.0011","25.4192","0.0011","26.4883","0.0008","90","","90","","90","","13999.1","1","100","2","100","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","poly-{(dimethylammonium) [tetrakis(mu3-butyladeninato-kN3:kN7:kN9)tetrakis(mu-biphenyldicarboxylato-kO:kO')(mu4-oxido)hexazincate]-dimethylformamide-water (1/4/13)","","- C108 H150 N26 O34 Zn6 -","- C108 H124 N26 O30 Zn6 -","- C432 H496 N104 O120 Zn24 -","4","0.5","","Garcia-Raso, Angel; TERRON, ANGEL; rosello, Yannick; Frontera, Antonio; Castillo, Oscar; Beobide, Garikoitz; Perez-Yañez, Sonia; Escudero, Eduardo Carmelo; FIOL, JUAN J J","Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology","CrystEngComm","2020","","","","","10.1039/D0CE00631A","","","0.7107","MoKα","","0.1168","0.0714","","","0.204","0.224","","","","","","1.116","","","","has coordinates,has disorder","251966","2020-10-21","18:00:00",""
"7240498","12.513","0.003","13.386","0.003","14.866","0.003","113.61","0.03","91.56","0.02","106.97","0.03","2152.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 N O10 Si Zn2 -","- C24 H23 N O10 Si Zn2 -","- C48 H46 N2 O20 Si2 Zn4 -","2","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","0.71073","MoKα","","0.0846","0.0612","","","0.1373","0.1464","","","","","","0.999","","","","has coordinates,has disorder","252004","2020-10-21","18:00:00",""
"7240499","10.7672","0.0002","25.0553","0.0005","24.4048","0.0005","90","","98.31","0.001","90","","6514.7","0.2","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mn-TPCSiOH","","","- C45 H39 Mn3 N O18 Si2 -","- C45 H39 Mn3 N O18 Si2 -","- C180 H156 Mn12 N4 O72 Si8 -","4","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","1.54178","CuKα","","0.088","0.0627","","","0.1393","0.1497","","","","","","1.054","","","","has coordinates","252004","2020-10-21","18:00:00",""
"7240500","8.2027","0.0006","8.8661","0.0005","11.48","0.0007","89.566","0.005","70.547","0.006","81.668","0.006","778.18","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl I3 N2 -","- C10 H10 Cl I3 N2 -","- C20 H20 Cl2 I6 N4 -","2","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0647","0.0414","","","0.0902","0.1126","","","","","","0.921","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240501","8.0102","0.0009","8.0918","0.001","14.048","0.0018","90.722","0.01","99.454","0.01","119.57","0.013","776.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 I2 N2 O -","- C10 H12 Cl2 I2 N2 O -","- C20 H24 Cl4 I4 N4 O2 -","2","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0426","0.0297","","","0.0655","0.0678","","","","","","0.91","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240502","4.5838","0.0002","14.8642","0.0005","10.6931","0.0003","90","","91.693","0.003","90","","728.25","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0442","0.029","","","0.0625","0.0651","","","","","","0.9","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240503","4.5792","0.0001","21.7962","0.0006","8.1293","0.0003","90","","101.885","0.003","90","","793.99","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.045","0.0281","","","0.0593","0.0618","","","","","","0.903","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240504","4.4564","0.0003","10.8438","0.0007","14.8824","0.0011","90","","94.886","0.007","90","","716.57","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0883","0.0413","","","0.0748","0.0836","","","","","","0.8","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240505","4.6289","0.0002","15.1319","0.0008","11.0844","0.0009","90","","91.478","0.007","90","","776.14","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0347","0.031","","","0.0782","0.0803","","","","","","0.924","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240506","15.0849","0.0007","4.7247","0.0002","11.2538","0.0004","90","","90","","90","","802.08","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0232","0.0191","","","0.0413","0.0422","","","","","","0.871","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240507","14.962","0.0007","4.5454","0.0002","10.9014","0.0005","90","","90","","90","","741.39","0.06","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0359","0.0287","","","0.0613","0.0625","","","","","","0.88","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240508","4.3369","0.0008","8.4079","0.0017","9.736","0.002","90","","94.12","0.018","90","","354.1","0.12","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C10 H10 Cl2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0968","0.0811","","","0.2208","0.2298","","","","","","1.089","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240509","10.5864","0.0011","4.3468","0.0005","15.0822","0.0014","90","","90.518","0.008","90","","694.01","0.13","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","1.54184","CuKα","","0.0564","0.0506","","","0.137","0.1498","","","","","","1.116","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240510","4.3789","0.0003","8.5332","0.0007","9.9405","0.0006","90","","95.16","0.006","90","","369.93","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C10 H10 Br2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0611","0.057","","","0.155","0.1573","","","","","","1.063","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240511","18.8403","0.0015","4.2335","0.0003","15.3364","0.0012","90","","95.068","0.003","90","","1218.46","0.16","273","2","273","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O10 Pb3 Sb10 Se16 Sr8 -","2","0.5","","Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang","Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response","CrystEngComm","2020","","","","","10.1039/D0CE00084A","","","0.71073","MoKα","","0.0572","0.0375","","","0.0868","0.0978","","","","","","1.046","","","","has coordinates","252036","2020-10-21","18:00:00",""
"7240512","11.2749","0.0009","24.769","0.002","14.9058","0.0012","90","","92.691","0.002","90","","4158.1","0.6","273","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H83 N25 Na4 O37 S4 -","- C63 H83 N25 Na4 O37 S4 -","- C126 H166 N50 Na8 O74 S8 -","2","0.5","","Liu, Mei; Shi, Lulu; Li, Hui","A cucurbit[6]uril-based supramolecular assembly as a highly sensitive and quickly responsive luminescent sensor for the detection of fluoroquinolones antibiotics in simulated wastewater","CrystEngComm","2020","","","","","10.1039/D0CE00603C","","","0.71073","MoKα","","0.1138","0.0927","","","0.2203","0.2325","","","","","","1.076","","","","has coordinates,has disorder","252037","2020-10-21","18:00:00",""
"7240513","8.6479","0.0004","11.7181","0.0006","12.4402","0.0007","114.461","0.002","90.355","0.003","96.581","0.003","1137.93","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C52 H52 O10 S2 -","2","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0662","0.0434","","","0.102","0.1136","","","","","","1.039","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240514","17.4857","0.0009","9.6877","0.0005","17.1467","0.0009","90","","118.713","0.003","90","","2547.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0524","0.0395","","","0.0935","0.1009","","","","","","1.032","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240515","12.283","0.0019","19.038","0.004","9.2274","0.0014","90","","107.381","0.009","90","","2059.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C100 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0745","0.0471","","","0.1017","0.1146","","","","","","1.034","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240516","15.699","0.004","7.434","0.002","24.908","0.008","90","","98.529","0.016","90","","2874.8","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O4 S -","- C36 H34 O4 S -","- C144 H136 O16 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.1166","0.0641","","","0.1662","0.1989","","","","","","1.047","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240517","11.8913","0.0006","7.6503","0.0003","16.1369","0.0008","90","","91.748","0.004","90","","1467.32","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N4 O4 Zn -","- C30 H34 N4 O4 Zn -","- C60 H68 N8 O8 Zn2 -","2","0.5","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0346","0.0304","","","0.0832","0.0852","","","","","","1.113","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240518","10.2457","0.0004","35.0251","0.0013","14.6211","0.0005","90","","109.855","0.004","90","","4935","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 N7 O8 Zn2 -","- C55 H57 N7 O8 Zn2 -","- C220 H228 N28 O32 Zn8 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0736","0.0427","","","0.0814","0.0909","","","","","","0.998","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240519","7.6353","0.0002","15.1456","0.0004","15.5015","0.0004","110.85","0.003","101.862","0.002","101.479","0.002","1565.17","0.09","125","0.1","125","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N5 O4 Zn -","- C29 H29 N5 O4 Zn -","- C58 H58 N10 O8 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.036","0.0321","","","0.0862","0.0883","","","","","","1.089","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240520","10.2398","0.0001","20.2129","0.0002","16.0208","0.0001","90","","97.638","0.001","90","","3286.5","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl6 N4 O4 Zn -","- C29 H28 Cl6 N4 O4 Zn -","- C116 H112 Cl24 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0366","0.0315","","","0.081","0.0859","","","","","","1.039","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240521","9.5111","0.0002","12.6993","0.0003","13.6361","0.0003","88.709","0.002","88.368","0.002","82.441","0.002","1631.76","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 N5 O6 Zn -","- C37 H33 N5 O6 Zn -","- C74 H66 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.088","0.089","","","","","","1.027","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240522","13.2473","0.0007","14.3337","0.0009","17.9869","0.0012","90","","91.334","0.005","90","","3414.5","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C144 H124 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.1121","0.0545","","","0.1085","0.1331","","","","","","0.991","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240523","14.337","0.0004","8.5075","0.0002","25.4808","0.0008","90","","102.665","0.003","90","","3032.32","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N5 O7 Zn -","- C31 H35 N5 O7 Zn -","- C124 H140 N20 O28 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0403","0.0314","","","0.0778","0.0828","","","","","","1.049","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240524","13.1291","0.0002","13.1804","0.0002","19.8037","0.0003","90","","93.126","0.001","90","","3421.87","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N5 O6 Zn -","- C37 H33 N5 O6 Zn -","- C148 H132 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0441","0.0351","","","0.0915","0.0981","","","","","","1.024","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240525","10.1666","0.0006","17.0493","0.0012","18.2066","0.0009","90","","101.886","0.005","90","","3088.1","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C144 H124 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0983","0.0648","","","0.1459","0.1616","","","","","","1.075","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240526","13.0755","0.0004","12.9618","0.0005","20.0571","0.0007","90","","93.157","0.003","90","","3394.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N5 O7 Zn -","- C36 H31 N5 O7 Zn -","- C144 H124 N20 O28 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0608","0.0397","","","0.0902","0.1033","","","","","","1.024","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240527","9.5603","0.0006","6.7219","0.0008","17.1475","0.0012","90","","91.675","0.007","90","","1101.49","0.17","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H22 Cl N3 O4 Zn -","- C24 H22 Cl N3 O4 Zn -","- C48 H44 Cl2 N6 O8 Zn2 -","2","0.5","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0436","0.035","","","0.0819","0.0867","","","","","","1.033","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240528","10.6517","0.0005","17.8533","0.0008","13.5909","0.0005","90","","91.999","0.004","90","","2582.98","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N4 O6 Zn -","- C28 H30 N4 O6 Zn -","- C112 H120 N16 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0511","0.0344","","","0.0789","0.0888","","","","","","1.033","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240529","7.9798","0.0002","12.1068","0.0003","15.2595","0.0004","81.018","0.002","78.984","0.002","86.388","0.002","1428.47","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N6 O4.5 Zn -","- C31 H34 N6 O4.5 Zn -","- C62 H68 N12 O9 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0399","0.0374","","","0.0863","0.0874","","","","","","1.217","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240530","8.8023","0.0003","12.7903","0.0006","15.298","0.0006","79.309","0.004","84.72","0.003","70.296","0.004","1592.51","0.12","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C72 H62 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0654","0.0437","","","0.098","0.1089","","","","","","1.022","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240531","9.3854","0.0009","12.6764","0.0012","13.5914","0.0012","93.234","0.008","90.556","0.008","99.664","0.009","1591.2","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C72 H62 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.3218","0.1638","","","0.3471","0.464","","","","","","0.967","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240532","7.9088","0.0002","12.5987","0.0004","14.7809","0.0005","114.123","0.003","99.089","0.002","93.237","0.002","1315.26","0.08","125","0.1","125","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Cl2 N4 O4 Zn -","- C27 H26 Cl2 N4 O4 Zn -","- C54 H52 Cl4 N8 O8 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0984","0.103","","","","","","1.032","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240533","10.2026","0.0003","20.3546","0.0005","15.8428","0.0005","90","","97.78","0.002","90","","3259.79","0.16","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl6 N4 O4 Zn -","- C28 H26 Cl6 N4 O4 Zn -","- C112 H104 Cl24 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.055","0.043","","","0.1003","0.1082","","","","","","1.027","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240534","21.457","0.002","14.4489","0.0015","7.37","0.0008","90","","90.013","0.002","90","","2284.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F N4 O6 -","- C24 H27 F N4 O6 -","- C96 H108 F4 N16 O24 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0652","0.0486","","","0.1247","0.1339","","","","","","1.054","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240535","9.121","0.0007","27.264","0.002","10.3393","0.0008","90","","93.365","0.001","90","","2566.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28.33 F N3 O10.17 -","- C24 H28.334 F N3 O10.167 -","- C96 H113.336 F4 N12 O40.668 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0612","0.043","","","0.0973","0.106","","","","","","1.03","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240536","7.897","0.0002","14.3744","0.0003","15.1386","0.0003","77.442","0.002","79.666","0.002","88.939","0.002","1649.76","0.07","300","0.1","300","0.1","","","","","","","","5","P 1","P 1","1","guanidinium ethoxysulfonate","guanidinium ethoxysulfonate","","- C3 H11 N3 O4 S -","- C3 H11 N3 O4 S -","- C24 H88 N24 O32 S8 -","8","8","","Szafrański, Marek; Jarek, Marcin","Thermodynamic pathway between the non-polar and ferroelectric polymorphs of guanidinium ethoxysulfonate","CrystEngComm","2020","","","","","10.1039/D0CE00565G","","","0.71073","MoKα","","0.0777","0.0618","","","0.1709","0.1914","","","","","","1.029","","","","has coordinates,has disorder","252070","2020-10-21","18:00:00",""
"7240537","9.6088","0.0007","14.6537","0.0011","16.9619","0.0014","95.852","0.001","106.511","0.001","107.938","0.001","2131","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl Eu N4 O12 -","- C36 H30 Cl Eu N4 O12 -","- C72 H60 Cl2 Eu2 N8 O24 -","2","1","","Liu, Jian-Jun; Que, Qi-Tao; Liu, Dan; Suo, Hongbo; Liu, Jiaming; Xia, Shu-Biao","A multifunction photochromic metal-organic framework with Lewis acid sites for selective amines and anion sensing","CrystEngComm","2020","","","","","10.1039/D0CE00560F","","","0.71073","MoKα","","0.0456","0.0393","","","0.1088","0.1129","","","","","","1.047","","","","has coordinates","252071","2020-10-21","18:00:00",""
"7240538","9.2897","0.0002","9.4735","0.0002","13.3937","0.0003","94.505","0.002","95.182","0.002","95.941","0.002","1163","0.04","130","2","130.1","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Cl Li3 N8 O2 W -","- C16 H8 Cl Li3 N8 O2 W -","- C32 H16 Cl2 Li6 N16 O4 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","0.71073","MoKα","","0.0428","0.0356","","","0.089","0.0929","","","","","","1.117","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240539","9.2411","0.0003","9.5189","0.0003","13.394","0.0004","94.706","0.003","96.181","0.003","96.111","0.003","1159.48","0.06","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Li2 N8 O W -","- C16 H8 Li2 N8 O W -","- C32 H16 Li4 N16 O2 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","1.54184","CuKα","","0.0424","0.0401","","","0.1096","0.1116","","","","","","1.049","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240540","11.0411","0.0004","16.8624","0.0007","28.2059","0.0007","90","","90","","90","","5251.4","0.3","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C50 H36 Cl8 I4 N4 -","- C50 H36 Cl8 I4 N4 -","- C200 H144 Cl32 I16 N16 -","4","0.5","","Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan","A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture","CrystEngComm","2020","","","","","10.1039/D0CE00627K","","","0.71073","MoKα","","0.0144","0.014","","","0.0319","0.0323","","","","","","1.038","","","","has coordinates,has disorder","252073","2020-10-21","18:00:00",""
"7240541","8.6168","0.0004","6.7974","0.0003","13.2395","0.0005","90","","99.344","0.004","90","","765.17","0.06","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","carbocyclic nucleoside","(1S,2R,3R,5R)-5-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(hydroxymethyl)-3-methyl-4-methylenecyclopentane-1,2-diol","","- C14 H17 Cl N4 O3 -","- C14 H17 Cl N4 O3 -","- C28 H34 Cl2 N8 O6 -","2","1","","Samunuri, Ramakrishnamraju; Toyama, Masaaki; Pallaka, Renuka Sivasankar; Neeladri, Seshubabu; Jha, Ashok Kumar; Baba, Masanori; Bal, Chandralata","Synthesis and anti-HBV activity of carbocyclic nucleoside hybrids with salient features of entecavir and aristeromycin","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00059K","","","0.71073","MoKα","","0.037","0.0323","","","0.0755","0.0792","","","","","","1.043","","","","has coordinates","252079","2020-10-21","18:00:00",""
"7240542","20.6798","0.0002","11.2177","0.0001","12.5805","0.0001","90","","102.832","0.001","90","","2845.54","0.05","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-(4-ethylphenyl)-2-(3-oxoindolin-2-ylidene)acetonitrile","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Arutiunov, Nikolai A.; Aksenova, Daria S.; Aksenov, Alexander V.; Rubin, Michael","Unexpected cyclization of ortho-nitrochalcones into 2-alkylideneindolin-3-ones","RSC Advances","2020","10","31","18440","18450","10.1039/D0RA03520C","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1083","0.1106","","","","","","1.045","","","","has coordinates","258104","2020-10-21","18:00:00",""
"7240543","21.767","0.003","4.8042","0.0008","42.042","0.007","90","","103.866","0.007","90","","4268.3","1.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O2 S -","- C27 H19 N3 O2 S -","- C216 H152 N24 O16 S8 -","8","2","","Li, Shengling; Cao, Duanlin; Ma, Wenbing; Hu, Zhiyong; Meng, Xianjiao; Li, Zhichun; Yuan, Changchun; Zhou, Tao; Han, Xinghua","A simple fluorescent probe for detection of Ag+ and Cd2+ and its Cd2+ complex for sequential recognition of S2−","RSC Advances","2020","10","31","18434","18439","10.1039/D0RA01768J","","","0.71073","MoKα","","0.1748","0.0808","","","0.1869","0.242","","","","","","1.014","","","","has coordinates,has disorder","258101","2020-10-21","18:00:00",""
"7240544","25.8107","0.0009","25.8107","0.0009","25.8107","0.0009","90","","90","","90","","17194.9","1","220","2","220","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Villemot, Vincent; Hamel, Matthieu; Pansu, Robert B.; Leray, Isabelle; Bertrand, Guillaume H. V.","Unravelling the true MOF-5 luminescence","RSC Advances","2020","10","31","18418","18422","10.1039/D0RA02509G","","","0.71073","MoKα","","0.0883","0.0619","","","0.1692","0.1831","","","","","","1.119","","","","has coordinates","258100","2020-10-21","18:00:00",""
"7240545","10.6296","0.0006","12.6093","0.0008","16.8042","0.0011","90","","100.854","0.001","90","","2212","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl2 Ga N4 S -","- C20 H23 Cl2 Ga N4 S -","- C80 H92 Cl8 Ga4 N16 S4 -","4","1","","Qi, Jinxu; Liu, Taichen; Zhao, Wei; Zheng, Xinhua; Wang, Yihong","Synthesis, crystal structure and antiproliferative mechanisms of gallium(iii) complexes with benzoylpyridine thiosemicarbazones","RSC Advances","2020","10","32","18553","18559","10.1039/D0RA02913K","","","0.71073","MoKα","","0.0529","0.0368","","","0.0894","0.0969","","","","","","1.041","","","","has coordinates","258002","2020-10-21","18:00:00",""
"7240546","7.1246","0.0003","10.0327","0.0004","29.6291","0.0014","90","","90","","90","","2117.86","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-fluorophenyl)-1H-benzimidazole","2-(2-fluorophenyl)-1H-benzimidazole","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54187","CuKα","","0.1422","0.0944","","","0.1417","0.1583","","","","","","1.261","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240547","7.007","0.003","9.936","0.003","32.745","0.003","90","","90","","90","","2279.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-Bromophenyl)-1H-benzimidazole","2-(2-Bromophenyl)-1H-benzimidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54178","CuKα","","0.0692","0.0629","","","0.1377","0.1418","","","","","","1.169","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240548","12.6755","0.0016","9.6559","0.0018","9.7645","0.0015","90","","111.638","0.009","90","","1110.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","meta-bromo-benzimidazole","2-(3-bromophenyl)-1H-benzo[d]imidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71073","MoKα","","0.1142","0.0832","","","0.1344","0.1543","","","","","","1.063","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240549","12.5894","0.001","9.5051","0.0008","9.7495","0.0007","90","","111.933","0.008","90","","1082.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-Chlorophenyl)-1H-benzimidazole","2-(3-Chlorophenyl)-1H-benzimidazole","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C52 H36 Cl4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71075","MoKα","","0.1044","0.0706","","","0.1056","0.1155","","","","","","1.184","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240550","10.4024","0.0003","15.8557","0.0005","12.7928","0.0004","90","","97.894","0.002","90","","2090.02","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F3 I O3 P S -","- C20 H17 F3 I O3 P S -","- C80 H68 F12 I4 O12 P4 S4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.032","0.0258","","","0.0562","0.0591","","","","","","1.069","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240551","18.3265","0.0006","13.069","0.0003","18.5735","0.0006","90","","119.538","0.004","90","","3870.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 I2 P2 Pt -","- C38 H34 Cl4 I2 P2 Pt -","- C152 H136 Cl16 I8 P8 Pt4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0534","0.0456","","","0.0944","0.0976","","","","","","1.182","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240552","10.8208","0.0005","12.0593","0.0006","14.2648","0.0007","109.418","0.004","92.227","0.004","97.782","0.004","1732.36","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","1","0.5","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0378","0.0308","","","0.0663","0.0708","","","","","","1.045","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240553","12.70194","0.00013","15.37677","0.00017","15.55588","0.00017","90","","90","","90","","3038.29","0.06","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","mesaconitine","","","- C33 H45 N O11 -","- C33 H45 N O11 -","- C132 H180 N4 O44 -","4","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0271","0.0268","","","0.068","0.0683","","","","","","1.039","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240554","8.9253","0.00009","13.08371","0.00015","9.80866","0.0001","90","","93.4553","0.0009","90","","1143.33","0.02","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","condelphine","","","- C25 H39 N O6 -","- C25 H39 N O6 -","- C50 H78 N2 O12 -","2","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0301","0.0299","","","0.0757","0.0759","","","","","","1.062","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240555","9.9215","0.0014","11.0863","0.0016","12.2729","0.0017","111.943","0.002","102.76","0.002","106.552","0.002","1116","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N2 O8 Zn -","- C25 H18 N2 O8 Zn -","- C50 H36 N4 O16 Zn2 -","2","1","","Zhou, Shan-He; Wang, Jun; Liu, Yi-Wei; Zhong, Yuyu; Sun, Yan-Chun; Xie, Bin; Ma, Aiqing; Singh, Amita; Muddassir, Mohd.; Kumar, Abhinav","Structures and photocatalytic properties of two new Zn(ii) coordination polymers based on semi-rigid V-shaped multicarboxylate ligands","RSC Advances","2020","10","32","18721","18727","10.1039/D0RA02222E","","","0.71073","MoKα","","0.0417","0.0326","","","0.0824","0.0866","","","","","","1.05","","","","has coordinates","258000","2020-10-21","18:00:00",""
"7240556","32.621","0.005","9.236","0.004","18.455","0.005","90","","98.21","0.02","90","","5503","3","250","0.1","250","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H38 N6 O14 Zn3 -","- C60 H38 N6 O14 Zn3 -","- C240 H152 N24 O56 Zn12 -","4","0.5","","Zhou, Shan-He; Wang, Jun; Liu, Yi-Wei; Zhong, Yuyu; Sun, Yan-Chun; Xie, Bin; Ma, Aiqing; Singh, Amita; Muddassir, Mohd.; Kumar, Abhinav","Structures and photocatalytic properties of two new Zn(ii) coordination polymers based on semi-rigid V-shaped multicarboxylate ligands","RSC Advances","2020","10","32","18721","18727","10.1039/D0RA02222E","","x-ray","1.54184","CuKα","","0.1236","0.0993","","","0.2785","0.3126","","","","","","1.066","","","","has coordinates,has disorder","258000","2020-10-21","18:00:00",""
"7240557","9.3938","0.0006","13.3012","0.0008","8.5716","0.0006","90","","90","","90","","1071.01","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C4.68 H51.36 Mn4 N8 O24 P11.32 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0497","0.0369","","","0.097","0.1063","","","","","","1.095","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240558","9.2009","0.0006","13.2604","0.0008","8.5408","0.0006","90","","90","","90","","1042.04","0.12","100","0.2","100","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.029","0.0284","","","0.0825","0.0829","","","","","","1.183","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240559","9.4005","0.0006","13.299","0.0008","8.6191","0.0006","90","","90","","90","","1077.54","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0432","0.0343","","","0.0929","0.1002","","","","","","1.054","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240560","6.207","0.0002","17.4113","0.0006","10.8693","0.0004","90","","99.503","0.001","90","","1158.55","0.07","178","2","178.27","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","","Lu, Shi-Chao; Wu, Botao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","K2S2O8-mediated radical cyclisation of 2-alkynylthioanisoles or -selenoanisoles: a green and regioselective route to 3-nitrobenzothiophenes and benzoselenophenes","RSC Advances","2020","10","32","19083","19087","10.1039/D0RA03894F","","","1.34139","GaKα","","0.0558","0.0543","","","0.1424","0.1441","","","","","","1.055","","","","has coordinates","257998","2020-10-21","18:00:00",""
"7240561","11.2883","0.0004","9.8313","0.0004","18.7276","0.0007","90","","101.498","0.004","90","","2036.65","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Bakthadoss, Manickam; Surendar, Manickam","Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds","RSC Advances","2020","10","32","19003","19007","10.1039/D0RA03400B","","","0.71073","MoKα","","0.0809","0.0497","","","0.1155","0.1334","","","","","","1.035","","","","has coordinates","258001","2020-10-21","18:00:00",""
"7240562","9.6663","0.0014","10.7447","0.0016","10.7533","0.001","66.9","0.012","85.83","0.01","80.391","0.012","1012.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O3 -","- C25 H18 N2 O3 -","- C50 H36 N4 O6 -","2","1","","Bakthadoss, Manickam; Surendar, Manickam","Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds","RSC Advances","2020","10","32","19003","19007","10.1039/D0RA03400B","","","0.71073","MoKα","","0.0583","0.0455","","","0.1134","0.1231","","","","","","1.029","","","","has coordinates","258001","2020-10-21","18:00:00",""
"7240563","19.8306","0.0005","27.6106","0.001","20.8093","0.0009","90","","91.117","0.003","90","","11391.7","0.7","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Ag43","","- C166 H0.5 Ag43 F24 O28 S8 -","- C168 Ag43 F12 O24 S8 -","- C336 Ag86 F24 O48 S16 -","2","0.25","","Li, Ting; Cui, Xiaoqin; Liang, Linfeng; Luo, Cui; Li, Huan; Zhang, Xian-Ming","A triflate and alkynyl protected Ag43 nanocluster with a passivated surface","RSC Advances","2020","10","33","19397","19400","10.1039/D0RA01244K","","","1.54184","CuKα","","0.1479","0.1218","","","0.3819","0.4054","","","","","","1.463","","","","has coordinates,has disorder","258017","2020-10-21","18:00:00",""
"7240564","8.3651","0.0006","9.9433","0.0007","27.584","0.002","90","","90","","90","","2294.3","0.3","100","2","100.04","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-(bis(/m2-beta-Alanine)-lithium perchlotate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C48 H112 Cl8 Li8 N16 O64 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0403","0.0358","","","0.0835","0.086","","","","","","1.178","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240565","24.143","0.003","5.0111","0.0007","14.528","0.002","90","","125.825","0.003","90","","1425.1","0.3","100","2","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(/m-3-beta-Alanine-lithium perchlorate)","","- C3 H7 Cl Li N O6 -","- C3 H7 Cl Li N O6 -","- C24 H56 Cl8 Li8 N8 O48 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0306","0.0276","","","0.0706","0.0727","","","","","","1.109","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240566","4.9667","0.0006","8.441","0.0011","13.941","0.0018","90","","95.899","0.004","90","","581.37","0.13","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-(bis(/m-2-beta-Alanine)-lithium perchlorate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C12 H28 Cl2 Li2 N4 O16 -","2","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0264","0.0258","","","0.0644","0.0648","","","","","","1.081","","","","has coordinates,has disorder","252267","2020-10-21","18:00:00",""
"7240567","14.625","0.0012","16.5741","0.0014","16.2669","0.0014","90","","107.071","0.003","90","","3769.3","0.6","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H98 N16 Ni2 O13 V4 -","- C56 H98 N16 Ni2 O13 V4 -","- C112 H196 N32 Ni4 O26 V8 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1794","0.0755","","","0.1968","0.2369","","","","","","0.853","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240568","11.876","0.0009","12.2282","0.0011","17.4796","0.0014","90","","101.696","0.003","90","","2485.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N8 Ni2 O38 V10 -","- C20 H54 N8 Ni2 O38 V10 -","- C40 H108 N16 Ni4 O76 V20 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1328","0.0856","","","0.2204","0.2432","","","","","","0.996","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240569","19.4747","0.0016","9.2565","0.0008","14.0833","0.0012","90","","106.177","0.002","90","","2438.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H50 N4 Ni2 O42 V10 -","- C12 H50 N4 Ni2 O42 V10 -","- C24 H100 N8 Ni4 O84 V20 -","2","0.25","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.0744","0.0544","","","0.1546","0.172","","","","","","1.105","","","","has coordinates,has disorder","252294","2020-10-21","18:00:00",""
"7240570","23.2258","0.0013","13.1165","0.0006","27.3081","0.0015","90","","141.282","0.003","90","","5203.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N6 O7.5 -","- C26 H19.5 Cd N6 O7.5 -","- C208 H156 Cd8 N48 O60 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0543","0.0383","","","0.0749","0.0829","","","","","","0.942","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240571","27.3745","0.0002","27.3745","0.0002","21.5185","0.0003","90","","90","","120","","13964.8","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H27 Cd N5 O5 -","- C24 H20 Cd N4 O4 -","- C432 H360 Cd18 N72 O72 -","18","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0447","0.0401","","","0.1031","0.1056","","","","","","1.054","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240572","15.9688","0.0012","13.5758","0.0011","24.2054","0.0019","90","","96.245","0.001","90","","5216.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cd N6 O6 -","- C27 H18 Cd N6 O4 -","- C216 H144 Cd8 N48 O32 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0773","0.0435","","","0.1106","0.1263","","","","","","0.826","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240573","16.1586","0.0006","13.6399","0.0006","24.0329","0.0008","90","","95.622","0.003","90","","5271.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cd N7 O8 -","- C26 H15 Cd N7 O6 -","- C208 H120 Cd8 N56 O48 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0494","0.0427","","","0.1377","0.1447","","","","","","1.062","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240574","23.0883","0.0006","23.0883","0.0006","47.6538","0.0017","90","","90","","120","","21999.5","1.1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H12 Cd N4 O4 -","- C20 H12 Cd N4 O4 -","- C720 H432 Cd36 N144 O144 -","36","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.1259","0.0597","","","0.1317","0.1576","","","","","","0.862","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240575","15.6834","0.0005","13.4629","0.0004","23.9857","0.0009","90","","95.29","0.003","90","","5042.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O5.5 -","- C26 H18 Cd N6 O5.5 -","- C208 H144 Cd8 N48 O44 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54184","CuKα","","0.0389","0.0326","","","0.0919","0.0997","","","","","","0.809","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240576","10.5292","0.0009","11.1315","0.001","15.3249","0.0014","73.201","0.003","78.789","0.003","77.578","0.002","1662.4","0.3","","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cu N6 O9 -","- C22 H23 Cu N6 O9 -","- C44 H46 Cu2 N12 O18 -","2","1","","I., Mantasha; Shahid, M.; Saleh, Hatem A. M.; Qasem, Khalil M. A.; Ahmad, Musheer","A novel sustainable metal organic framework as the ultimate aqueous phase sensor for natural hazards: detection of nitrobenzene and F− at the ppb level and rapid and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE00356E","","","0.71073","MoKα","","0.077","0.0567","","","0.1612","0.1761","","","","","","1.1396","","","","has coordinates","252296","2020-10-21","18:00:00",""
"7240577","16.8829","0.0011","35.023","0.002","15.955","0.001","90","","91.019","0.001","90","","9432.5","1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C80.21 H81.43 N19 O22.43 Ru S6 -","- C80.212 H81.424 N19 O22.424 Ru S6 -","- C320.848 H325.696 N76 O89.696 Ru4 S24 -","4","0.5","","Handke, Marcel; Wu, Yang; Li, Yuantao; Hu, Chunhua T.; Ward, Michael D.","Encapsulation of the [Ru(bpy)3]2+ luminophore in a unique hydrogen-bonded host framework","CrystEngComm","2020","","","","","10.1039/D0CE00680G","","","0.71073","MoKα","","0.0943","0.0827","","","0.2861","0.3128","","","","","","1.753","","","","has coordinates,has disorder","252297","2020-10-21","18:00:00",""
"7240578","12.2892","0.0004","20.1324","0.0004","18.9867","0.0005","90","","102.411","0.003","90","","4587.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 O28 P4 V10 -","- C96 H80 O28 P4 V10 -","- C192 H160 O56 P8 V20 -","2","0.5","","Li, Chifeng; Mizuno, Noritaka; Murata, Kei; Ishii, Kazuyuki; Suenobu, Tomoyoshi; Yamaguchi, Kazuya; Suzuki, Kosuke","Selectivity switch in the aerobic oxygenation of sulfides photocatalysed by visible-light-responsive decavanadate","Green Chemistry","2020","22","12","3896","3905","10.1039/D0GC01500H","","","0.71073","MoKα","","0.0796","0.0521","","","0.1163","0.1285","","","","","","1.017","","","","has coordinates","257624","2020-10-21","18:00:00",""
"7240579","19.985","0.003","7.6989","0.001","21.093","0.004","90","","90","","90","","3245.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N7 O2 -","- C15 H19 N7 O2 -","- C120 H152 N56 O16 -","8","1","","Colombo Dugoni, Greta; Baggioli, Alberto; Famulari, Antonino; Sacchetti, Alessandro; Martí-Rujas, Javier; Mariani, Mario; Macerata, Elena; Mossini, Eros; Mele, Andrea","Structural properties of the chelating agent 2,6-bis(1-(3-hydroxypropyl)-1,2,3-triazol-4-yl)pyridine: a combined XRD and DFT structural study","RSC Advances","2020","10","33","19629","19635","10.1039/D0RA04142D","","","1.54178","CuKα","","0.0459","0.0405","","","0.1012","0.1062","","","","","","1.061","","","","has coordinates","258014","2020-10-21","18:00:00",""
"7240580","12.2814","0.0014","12.4871","0.0016","16.249","0.002","90","","90","","90","","2491.9","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N5 O5 -","- C29 H27 N5 O5 -","- C116 H108 N20 O20 -","4","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.0661","0.0517","","","0.1406","0.152","","","","","","1.075","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240581","9.6991","0.0004","15.1736","0.0007","18.5825","0.0009","90","","101.75","0.002","90","","2677.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl2 N5 O3 -","- C27 H21 Cl2 N5 O3 -","- C108 H84 Cl8 N20 O12 -","4","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.1904","0.1802","","","0.5419","0.5603","","","","","","2.792","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240582","10.1063","0.0013","10.6214","0.0012","12.8286","0.0016","94.851","0.004","97.256","0.004","111.253","0.003","1260.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br N5 O2 -","- C18 H12 Br N5 O2 -","- C36 H24 Br2 N10 O4 -","2","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.0795","0.0584","","","0.1734","0.1865","","","","","","1.053","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240583","4.9726","0.0002","14.6836","0.0005","14.4255","0.0005","90","","98.154","0.004","90","","1042.64","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H17 N5 O4 Se -","- C24 H17 N5 O4 Se -","- C48 H34 N10 O8 Se2 -","2","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","x-ray","1.54184","CuKα","","0.0447","0.0422","","","0.1088","0.1106","","","","","","1.099","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240584","12.652","0.003","7.525","0.0015","34.367","0.007","90","","90","","90","","3272","1.2","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N4 O4 Se -","- C19 H12 N4 O4 Se -","- C152 H96 N32 O32 Se8 -","8","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","","0.82656","Synchrotron","","0.0758","0.0601","","","0.1641","0.1802","","","","","","1.037","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240585","8.0733","0.0012","8.0733","0.0012","101.06","0.017","90","","90","","90","","6586.9","1.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C37 H37 N3 O6 S -","- C37 H37 N3 O6 S -","- C296 H296 N24 O48 S8 -","8","1","","Riebe, Steffen; Zimmermann, Alexander; Koch, Johannes; Vallet, Cecilia; Knauer, Shirley K.; Sowa, Andrea; Wölper, Christoph; Voskuhl, Jens","Lipofection with estrone-based luminophores featuring aggregation-induced emission properties","RSC Advances","2020","10","33","19643","19647","10.1039/D0RA03608K","","","1.54178","CuKα","","0.0989","0.0985","","","0.2257","0.2258","","","","","","1.347","","","","has coordinates","258015","2020-10-21","18:00:00",""
"7240586","12.4021","0.0012","12.3286","0.0012","13.1324","0.0013","90","","105.544","0.001","90","","1934.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cu N7 O8 -","- C17 H15 Cu N7 O8 -","- C68 H60 Cu4 N28 O32 -","4","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.036","0.0288","","","0.0772","0.083","","","","","","1.001","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240587","10.272","0.003","15.184","0.004","16.2","0.004","100.009","0.003","99.61","0.003","108.045","0.003","2299.2","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cu2 N14 O18 -","- C42 H34 Cu2 N14 O18 -","- C84 H68 Cu4 N28 O36 -","2","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.0942","0.0546","","","0.1336","0.1587","","","","","","1.011","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240588","7.2353","0.0005","11.8726","0.001","14.19","0.001","108.038","0.007","100.678","0.006","101.982","0.007","1092.21","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","1","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0768","0.0498","","","0.1313","0.1754","","","","","","1.033","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240589","7.6965","0.0005","17.3729","0.0011","17.6113","0.0011","90","","95.011","0.004","90","","2345.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 N4 O12 Zn -","- C54 H42 N4 O12 Zn -","- C108 H84 N8 O24 Zn2 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0641","0.0404","","","0.1183","0.1297","","","","","","1.053","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240590","7.5973","0.0005","17.7923","0.0012","17.7217","0.0012","90","","92.451","0.004","90","","2393.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cd N4 O12 -","- C54 H42 Cd N4 O12 -","- C108 H84 Cd2 N8 O24 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0658","0.0439","","","0.1166","0.1257","","","","","","1.044","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240591","11.4024","0.0002","11.021","0.0003","17.2462","0.0003","90","","90.347","0.002","90","","2167.22","0.08","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Mousavi, S. Hekmat; Mohammadizadeh, Mohammad Reza; Arimitsu, Satoru; Saberi, Dariush; Poorsadeghi, Samira; Genta, Kojya","Metal-free syntheses of new azocines via addition reactions of enaminones with acenaphthoquinone followed by oxidative cleavages of the corresponding vicinal diols","RSC Advances","2020","10","35","20552","20557","10.1039/D0RA02852E","","x-ray","0.71073","MoKα","","0.0827","0.0546","","","0.1084","0.1215","","","","","","1.035","","","","has coordinates","258127","2020-10-21","18:00:00",""
"7240592","8.164","0.0003","8.5511","0.0004","19.877","0.0007","93.396","0.003","99.154","0.003","117.195","0.004","1204.69","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-methyl-2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)pyrimidin-4(3H)-one","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","2","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","0.71073","MoKα","","0.0726","0.0484","","","0.1063","0.1186","","","","","","1.013","","","","has coordinates,has disorder","252561","2020-10-21","18:00:00",""
"7240593","18.8002","0.0002","9.6241","0.0001","14.373","0.0002","90","","90","","90","","2600.58","0.05","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-(3-ethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-4(3H)-one","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C112 H144 N32 O8 -","8","1","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","0.71073","MoKα","","0.044","0.0355","","","0.0871","0.0938","","","","","","1.043","","","","has coordinates","252561","2020-10-21","18:00:00",""
"7240594","8.66205","0.00005","14.39226","0.00006","9.94738","0.00004","90","","90.8062","0.0004","90","","1239.98","0.01","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","6-ethyl-4-hydroxy-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)pyrimidin-1-ium","","- C10 H15 Cl N4 O3 -","- C10 H15 Cl N4 O3 -","- C40 H60 Cl4 N16 O12 -","4","2","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","1.54184","CuKα","","0.0258","0.0242","","","0.0589","0.0604","","","","","","1.069","","","","has coordinates","252561","2020-10-21","18:00:00",""
"7240595","6.4707","0.0003","6.4978","0.0002","13.6439","0.0005","96.434","0.003","102.426","0.004","94.819","0.003","553.23","0.04","100","0.5","100","0.5","","","","","","","Penicillium chrysogenum CCTCC M 2020019","5","P -1","-P 1","2","","Xanthocillin X","","- C11 H12 N O2 S -","- C11 H12 N O2 S -","- C22 H24 N2 O4 S2 -","2","1","","Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng","Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019","RSC Advances","2020","10","35","20738","20744","10.1039/D0RA03529G","","x-ray","1.54184","CuKα","","0.0465","0.0457","","","0.1357","0.1367","","","","","","1.1","","","","has coordinates","258126","2020-10-21","18:00:00",""
"7240596","12.9027","0.0009","6.9592","0.0004","18.0598","0.0016","90","","90","","90","","1621.6","0.2","105","8","105","8","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[2-trans-(4-hydroxyphenyl) ethenyl] formamide","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","1","","Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng","Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019","RSC Advances","2020","10","35","20738","20744","10.1039/D0RA03529G","","x-ray","1.54184","CuKα","","0.0605","0.0437","","","0.1136","0.1227","","","","","","1.068","","","","has coordinates","258126","2020-10-21","18:00:00",""
"7240597","6.9104","0.0003","19.6432","0.0007","14.0505","0.0005","90","","100.235","0.004","90","","1876.9","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 S -","- C21 H18 N4 O2 S -","- C84 H72 N16 O8 S4 -","4","1","","Arshad, Nasima; Rafiq, Mamoona; Ujan, Rabail; Saeed, Aamer; Farooqi, Shahid I.; Perveen, Fouzia; Channar, Pervaiz Ali; Ashraf, Saba; Abbas, Qamar; Ahmed, Ashfaq; Hokelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis, X-ray crystal structure elucidation and Hirshfeld surface analysis of N-((4-(1H-benzo[d]imidazole-2-yl)phenyl)carbamothioyl)benzamide: investigations for elastase inhibition, antioxidant and DNA binding potentials for biological applications","RSC Advances","2020","10","35","20837","20851","10.1039/D0RA02501A","","x-ray","0.71073","MoKα","","0.0856","0.057","","","0.1497","0.1744","","","","","","1.027","","","","has coordinates","258125","2020-10-21","18:00:00",""
"7240598","9.7632","0.0018","7.9567","0.0015","12.92","0.003","90","","106.11","0.02","90","","964.2","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Eu2 O15 -","- C15 H18 Eu2 O15 -","- C30 H36 Eu4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0328","0.0251","","","0.055","0.0595","","","","","","1.071","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240599","13.802","0.003","7.5145","0.0003","23.844","0.006","90","","148","0.06","90","","1310","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Eu O7 -","- C12 H11 Eu O7 -","- C48 H44 Eu4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0281","0.0213","","","0.0443","0.047","","","","","","1.062","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240600","9.7575","0.0009","7.9696","0.0007","12.8428","0.0015","90","","106.131","0.011","90","","959.38","0.17","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 O15 Tb2 -","- C15 H18 O15 Tb2 -","- C30 H36 O30 Tb4 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.0709","0.0613","","","0.1448","0.1534","","","","","","1.087","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240601","13.758","0.003","7.4103","0.0002","23.889","0.005","90","","148.21","0.05","90","","1283","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Dy O7 -","- C12 H11 Dy O7 -","- C48 H44 Dy4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.022","0.0182","","","0.0417","0.0433","","","","","","1.094","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240602","13.79","0.008","7.4571","0.0008","23.894","0.014","90","","148.12","0.15","90","","1298","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O7 Tb -","- C12 H11 O7 Tb -","- C48 H44 O28 Tb4 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0957","0.0759","","","0.185","0.2067","","","","","","1.068","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240603","9.759","0.002","7.9677","0.0016","12.79","0.003","90","","106.22","0.03","90","","954.9","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Dy2 O15 -","- C15 H18 Dy2 O15 -","- C30 H36 Dy4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.11","0.0963","","","0.2124","0.2233","","","","","","1.076","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240604","7.597","0.003","9.73","0.004","37.763","0.014","84.846","0.009","86.089","0.008","88.219","0.009","2772.8","1.9","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C123 H210 O6 -","- C123 H210 O6 -","- C123 H210 O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.0729","0.0461","","","0.0903","0.0964","","","","","","0.907","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240605","10.7439","0.0005","13.6989","0.0006","38.1228","0.0019","90","","93.002","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Gallic acid cocrystal","","- C123 H206 O9 -","- C123 H206 O9 -","- C246 H412 O18 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1117","0.0897","","","0.2458","0.2775","","","","","","1.053","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240606","9.439","0.002","7.5391","0.0016","39.635","0.008","90","","95.216","0.006","90","","2808.8","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H108 O5 -","- C61 H108 O5 -","- C122 H216 O10 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3086","0.0446","","","0.0582","0.092","","","","","","0.743","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240607","7.581","0.002","9.702","0.003","36.973","0.009","82.962","0.005","86.112","0.005","89.74","0.005","2692.7","1.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C121 H209 N O6 -","- C121 H209 N O6 -","- C121 H209 N O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1676","0.1056","","","0.1872","0.2302","","","","","","1.314","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240608","77.42","0.02","7.6086","0.0018","9.924","0.003","90","","90.948","0.007","90","","5845","3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C64 H109 O8 -","- C64 H109 O8 -","- C256 H436 O32 -","4","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.158","0.0602","","","0.0934","0.1154","","","","","","0.881","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240609","26.373","0.003","7.4971","0.0007","27.183","0.003","90","","92.569","0.006","90","","5369.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Propionic acid hydrate cocrystal form II","","- C119 H208 O7 -","- C119 H208 O7 -","- C238 H416 O14 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3448","0.1012","","","0.1599","0.2356","","","","","","0.95","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240610","6.92433","0.00019","7.46902","0.00018","26.5125","0.0006","90","","90.785","0.002","90","","1371.04","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl3 Ga N2 -","- C12 H10 Cl3 Ga N2 -","- C48 H40 Cl12 Ga4 N8 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0357","0.0279","","","0.0688","0.0705","","","","","","0.965","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240611","6.51299","0.00012","11.7499","0.0003","12.0716","0.0002","90","","90.8579","0.0017","90","","923.7","0.03","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl6 Ga2 N2 -","- C12 H10 Cl6 Ga2 N2 -","- C24 H20 Cl12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0251","0.0217","","","0.0557","0.0567","","","","","","0.985","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240612","6.5757","0.0003","11.6146","0.0004","12.0455","0.0004","90","","91.122","0.003","90","","919.79","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Al2 Cl6 N2 -","- C12 H10 Al2 Cl6 N2 -","- C24 H20 Al4 Cl12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0321","0.0239","","","0.0566","0.0583","","","","","","0.917","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240613","11.9814","0.0004","28.3968","0.0008","26.3183","0.0008","90","","100.16","0.003","90","","8814","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Cl12 Ga4 N14 -","- C84 H70 Cl12 Ga4 N14 -","- C336 H280 Cl48 Ga16 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0608","0.0311","","","0.0547","0.0609","","","","","","0.849","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240614","6.60794","0.00017","8.51954","0.00013","18.026","0.0003","90","","96.55","0.002","90","","1008.18","0.03","123","0.14","123","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Al2 Br6 N2 -","- C12 H10 Al2 Br6 N2 -","- C24 H20 Al4 Br12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54184","CuKα","","0.0188","0.0174","","","0.038","0.0386","","","","","","1.119","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240615","6.56821","0.00014","8.50459","0.00016","18.1626","0.0004","90","","96.7181","0.0019","90","","1007.6","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0298","0.0243","","","0.0612","0.0627","","","","","","0.987","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240616","6.51032","0.00016","12.2531","0.0003","12.4379","0.0003","90","","90.552","0.002","90","","992.15","0.04","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","alpha-polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0441","0.0332","","","0.0885","0.0927","","","","","","0.999","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240617","11.6526","0.0003","14.1736","0.0003","16.6431","0.0004","106.005","0.002","97.842","0.002","91.731","0.002","2610.86","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Al4 Br12 N6 -","- C36 H30 Al4 Br12 N6 -","- C72 H60 Al8 Br24 N12 -","2","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0329","0.0288","","","0.0709","0.0736","","","","","","1.026","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240618","13.0928","0.0007","14.0601","0.001","14.3775","0.0007","95.542","0.005","96.105","0.004","106.587","0.005","2499.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0878","0.0709","","","0.1927","0.2078","","","","","","1.088","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240619","7.5187","0.0003","8.8335","0.0003","11.7115","0.0005","79.201","0.003","84.35","0.003","76.67","0.003","742.23","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0232","0.0198","","","0.0487","0.0494","","","","","","0.967","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240620","23.547","0.0007","12.0475","0.0003","8.0311","0.0002","90","","90","","90","","2278.28","0.1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Br N2 -","- C12 H11 Br N2 -","- C96 H88 Br8 N16 -","8","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0583","0.0355","","","0.0698","0.0737","","","","","","1.006","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240621","11.3604","0.0004","13.2572","0.0004","14.17","0.0004","82.947","0.002","89.402","0.002","73.162","0.003","2026.44","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0565","0.047","","","0.122","0.1254","","","","","","1.061","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240622","12.0435","0.0002","28.2798","0.0005","26.113","0.0004","90","","99.9744","0.0017","90","","8759.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Al4 Cl12 N14 -","- C84 H70 Al4 Cl12 N14 -","- C336 H280 Al16 Cl48 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0535","0.0367","","","0.0814","0.0853","","","","","","0.963","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240623","9.8122","0.0006","20.4453","0.0011","15.9721","0.0008","90","","104.283","0.002","90","","3105.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 Th -","- C27 H25 N7 O15 Th -","- C108 H100 N28 O60 Th4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0399","0.0251","","","0.0629","0.0755","","","","","","1.096","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240624","9.8225","0.0008","20.3779","0.0015","15.9018","0.0012","90","","104.149","0.003","90","","3086.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 U -","- C27 H25 N7 O15 U -","- C108 H100 N28 O60 U4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0202","0.0168","","","0.0426","0.0446","","","","","","0.987","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240625","9.8352","0.0004","20.3151","0.0009","15.8431","0.0007","90","","103.807","0.001","90","","3074","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 Np O15 -","- C27 H25 N7 Np O15 -","- C108 H100 N28 Np4 O60 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0277","0.02","","","0.0432","0.0501","","","","","","1.138","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240626","9.8486","0.0004","20.3166","0.0008","15.8306","0.0006","90","","103.965","0.001","90","","3073.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 Pu -","- C27 H25 N7 O15 Pu -","- C108 H100 N28 O60 Pu4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0194","0.0184","","","0.0531","0.0544","","","","","","0.958","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240627","12.837","0.003","8.8654","0.0018","15.322","0.003","90","","105.87","0.03","90","","1677.3","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N S2 -","- C19 H17 N S2 -","- C76 H68 N4 S8 -","4","0.5","","Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Mirkhani, Valiollah; Moghadam, Majid; Tangestaninejad, Shahram; Amiri Rudbari, Hadi","Palladium nanoparticles immobilized on a nano-silica triazine dendritic polymer: a recyclable and sustainable nanoreactor for C‒S cross-coupling","RSC Advances","2020","10","36","21198","21205","10.1039/D0RA00719F","","","0.71073","MoKα","","0.1915","0.1168","","","0.1411","0.1602","","","","","","1.215","","","","has coordinates","258118","2020-10-21","18:00:00",""
"7240628","11.7767","0.0007","13.3468","0.0011","19.3209","0.0011","81.5632","0.0016","79.7047","0.0011","72.2832","0.0009","2832.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Dy K N4 O2 -","- C60 H88 Dy K N4 O2 -","- C120 H176 Dy2 K2 N8 O4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0319","0.0266","","","0.0573","0.0593","","","","","","1.032","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240629","10.9833","0.0001","27.4951","0.0003","20.5502","0.0002","90","","98.202","0.001","90","","6142.41","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 Dy K N4 O2 -","- C64 H96 Dy K N4 O2 -","- C256 H384 Dy4 K4 N16 O8 -","4","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0544","0.0313","","","0.062","0.0693","","","","","","1.017","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240630","5.478","0.0015","5.2268","0.0015","12.296","0.003","90","","99.28","0.05","90","","347.46","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,5-Dinitrophenol","2,5-Dinitrophenol","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C12 H8 N4 O10 -","2","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1033","0.0771","","","0.1764","0.2074","","","","","","1.108","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240631","30.03","0.009","3.728","0.0009","21.08","0.008","90","","90","","90","","2359.9","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 2,5-dinitrophenolate","2-aminopyridinium 2,5-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C88 H80 N32 O40 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1611","0.0811","","","0.1027","0.1283","","","","","","1.019","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240632","16.428","0.003","6.0198","0.0012","14.604","0.003","90","","100.02","0.02","90","","1422.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","","- C13 H11 Cl4 N O -","- C13 H11 Cl4 N O -","- C52 H44 Cl16 N4 O4 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0174","0.0174","","","0.0483","0.0483","","","","","","1.064","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240633","7.673","0.0018","15.707","0.003","24.892","0.005","90","","90","","90","","3000","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","","- C14 H13 Cl4 N O -","- C14 H13 Cl4 N O -","- C112 H104 Cl32 N8 O8 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0484","0.0406","","","0.0796","0.0836","","","","","","1.059","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240634","13.249","0.005","10.91","0.004","11.697","0.004","90","","90","","90","","1690.8","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1131","0.0671","","","0.1349","0.1643","","","","","","1.006","","","","has coordinates,has disorder","252661","2020-10-21","18:00:00",""
"7240635","10.1228","0.001","10.5481","0.0011","19.5768","0.0019","78.37","0.009","85.218","0.008","72.376","0.009","1950.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Cl6 N6 -","- C34 H58 Cl6 N6 -","- C68 H116 Cl12 N12 -","2","1","","Rakhimova, Elena B.; Kirsanov, Victor Yu.; Tret'yakova, Elena V.; Khalilov, Leonard M.; Ibragimov, Askhat G.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.; Dzhemilev, Usein M.","Synthesis, structure, and antitumor activity of 2,9-disubstituted perhydro 2,3a,7b,9,10a,14b-hexaazadibenzotetracenes","RSC Advances","2020","10","36","21039","21048","10.1039/D0RA03209C","","x-ray","0.71073","MoKα","","0.26","0.0751","","","0.1721","0.2723","","","","","","0.872","","","","has coordinates","258119","2020-10-21","18:00:00",""
"7240636","39.208","0.003","4.9186","0.0003","5.1714","0.0004","90","","90.465","0.003","90","","997.26","0.12","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H28 Cl3 N3 -","- C18 H28 Cl3 N3 -","- C36 H56 Cl6 N6 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0398","0.0376","","","0.0907","0.0915","","","","","","1.093","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240637","9.713","0.0003","10.9592","0.0003","5.5558","0.0002","90","","90","","90","","591.4","0.03","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 N O2 P -","- C3 H10 N O2 P -","- C12 H40 N4 O8 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0183","0.0181","","","0.052","0.0522","","","","","","1.15","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240638","6.4395","0.0002","17.5869","0.0005","22.0784","0.0006","89.2506","0.0016","89.6121","0.0012","83.8238","0.0012","2485.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H39 N2 O3 P -","- C26 H39 N2 O3 P -","- C104 H156 N8 O12 P4 -","4","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0858","0.0506","","","0.1032","0.1164","","","","","","1.026","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240639","10.2763","0.0004","9.17","0.0003","15.3112","0.0006","90","","103.229","0.001","90","","1404.54","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N O2 P -","- C15 H18 N O2 P -","- C60 H72 N4 O8 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0338","0.031","","","0.0798","0.0817","","","","","","1.06","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240640","13.364","0.0006","8.5851","0.0004","20.1404","0.0011","90","","91.384","0.002","90","","2310.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H22 N O4 P -","- C7 H22 N O4 P -","- C56 H176 N8 O32 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0329","0.0288","","","0.0746","0.0767","","","","","","1.075","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240641","9.7954","0.0005","9.9645","0.0005","11.1729","0.0006","73.496","0.002","82.075","0.002","87.525","0.002","1035.62","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C46 H56 N2 O6 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0415","0.0345","","","0.0857","0.0902","","","","","","1.007","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240642","10.3557","0.0004","12.4193","0.0005","13.5892","0.0004","90","","90","","90","","1747.71","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N O4 P -","- C5 H14 N O4 P -","- C40 H112 N8 O32 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0402","0.0338","","","0.0839","0.0879","","","","","","1.059","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240643","5.1523","0.0006","7.4078","0.0009","11.8502","0.0014","101.004","0.005","95.811","0.005","103.446","0.005","426.75","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N O6 P -","- C5 H10 N O6 P -","- C10 H20 N2 O12 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0345","0.0309","","","0.0798","0.0821","","","","","","1.055","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240644","9.4746","0.0004","11.3717","0.0005","23.1551","0.001","90","","91.99","0.001","90","","2493.28","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O5 P2 -","- C27 H29 N O5 P2 -","- C108 H116 N4 O20 P8 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.042","0.0337","","","0.0787","0.084","","","","","","1.045","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240645","7.905","0.0004","7.9314","0.0004","11.8753","0.0005","90","","90","","90","","744.55","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O4 P -","- C4 H10 N O4 P -","- C16 H40 N4 O16 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.02","0.0197","","","0.0552","0.0554","","","","","","1.09","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240646","5.5885","0.0003","19.1273","0.0012","8.3332","0.0005","90","","103.684","0.003","90","","865.48","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12.5 N O4.25 P -","- C6 H12.5 N O4.25 P -","- C24 H50 N4 O17 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0467","0.0431","","","0.1067","0.1089","","","","","","1.121","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240647","5.6105","0.0002","21.6543","0.0009","8.996","0.0004","90","","94.695","0.002","90","","1089.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 N3 O8 P -","- C21 H20 N3 O6 P -","- C42 H40 N6 O12 P2 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0451","0.0428","","","0.105","0.1064","","","","","","1.079","","","","has coordinates,has disorder","258120","2020-10-21","18:00:00",""
"7240648","7.0189","0.0003","5.7569","0.0002","15.9662","0.0008","90","","98.694","0.002","90","","637.73","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H17 N O5 P2 -","- C9 H17 N O5 P2 -","- C18 H34 N2 O10 P4 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0375","0.0308","","","0.0734","0.0761","","","","","","1.043","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240649","5.661","0.0002","8.5501","0.0003","12.0035","0.0004","78.854","0.001","79.171","0.001","78.139","0.001","551.19","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N O4 P -","- C10 H14 N O4 P -","- C20 H28 N2 O8 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0336","0.0304","","","0.0739","0.0759","","","","","","1.045","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240650","8.6777","0.0003","11.9197","0.0003","10.7504","0.0003","90","","104.459","0.001","90","","1076.75","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 N O4 P2 -","- C6 H17 N O4 P2 -","- C24 H68 N4 O16 P8 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0243","0.0238","","","0.0666","0.067","","","","","","1.052","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240651","10.4097","0.0004","6.3878","0.0003","27.1688","0.0012","90","","90","","90","","1806.59","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H12 N O2 P -","- C8 H12 N O2 P -","- C64 H96 N8 O16 P8 -","8","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0433","0.0415","","","0.1078","0.109","","","","","","1.048","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240652","8.5485","0.0002","8.7247","0.0002","10.3439","0.0002","71.418","0.001","68.689","0.001","81.28","0.001","680.7","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H26 N O2 P -","- C13 H26 N O2 P -","- C26 H52 N2 O4 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0353","0.0312","","","0.0821","0.0846","","","","","","1.048","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240653","9.9559","0.0005","10.8993","0.0005","11.2372","0.0005","110.848","0.001","92.553","0.001","110","0.001","1051.45","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N2 O4 P -","- C24 H23 N2 O4 P -","- C48 H46 N4 O8 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0373","0.0333","","","0.081","0.0834","","","","","","1.036","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240654","7.2002","0.0014","17.795","0.004","8.1862","0.0016","90","","109.91","0.03","90","","986.2","0.4","153.15","","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 N14 Na2 O8 -","- C6 H20 N14 Na2 O8 -","- C12 H40 N28 Na4 O16 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0649","0.0553","","","0.147","0.1764","","","","","","1.193","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240655","5.1663","0.001","10.327","0.002","7.6607","0.0015","90","","105.39","0.03","90","","394.06","0.14","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N7 O2 -","- C5 H7 N7 O2 -","- C10 H14 N14 O4 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.045","0.0443","","","0.0939","0.0943","","","","","","1.224","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240656","3.717","0.002","12.459","0.006","7.693","0.004","90","","95.512","0.007","90","","354.6","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","1","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0419","0.0327","","","0.0672","0.07","","","","","","1","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240657","3.9924","0.0008","12.192","0.002","7.7023","0.0015","90","","95.44","0.03","90","","373.22","0.12","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H4 K N7 O -","- C4 H4 K N7 O -","- C8 H8 K2 N14 O2 -","2","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0281","0.0279","","","0.0736","0.0738","","","","","","1.042","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240658","8.0784","0.0016","7.1115","0.0014","13.838","0.003","90","","98.05","0.03","90","","787.2","0.3","163","2","163.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N7 Na O2 -","- C4 H6 N7 Na O2 -","- C16 H24 N28 Na4 O8 -","4","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0458","0.0433","","","0.1081","0.1105","","","","","","1.106","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240659","7.8705","0.0005","10.1489","0.0007","23.9418","0.0013","90","","93.881","0.002","90","","1908","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","trans-Spirodiol (CHCl3)","3-trans","","- C20 H34 O6 -","- C20 H34 O6 -","- C80 H136 O24 -","4","1","","Bonjour, Olivier; Liblikas, Ilme; Pehk, Tõnis; Khai-Nghi, Truong; Rissanen, Kari; Vares, Lauri; Jannasch, Patric","Rigid biobased polycarbonates with good processability based on a spirocyclic diol derived from citric acid","Green Chemistry","2020","22","12","3940","3951","10.1039/D0GC00849D","","","0.71073","MoKα","","0.1292","0.0997","","","0.2398","0.2549","","","","","","1.096","","","","has coordinates,has disorder","257623","2020-10-21","18:00:00",""
"7240660","7.5903","0.0004","9.0809","0.0006","9.7444","0.0005","99.238","0.005","107.382","0.005","101.179","0.005","611.46","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","CHZ_PA","","- C13 H9 Cl N2 O4 -","- C13 H9 Cl N2 O4 -","- C26 H18 Cl2 N4 O8 -","2","1","","Roy, Parag; Ghosh, Animesh","Mechanochemical cocrystallization to improve the physicochemical properties of chlorzoxazone","CrystEngComm","2020","","","","","10.1039/D0CE00635A","","x-ray","0.71073","MoKα","","0.0417","0.0359","","","0.099","0.1043","","","","","","1.048","","","","has coordinates","253021","2020-10-21","18:00:00",""
"7240661","8.229","0.006","14.862","0.01","13.319","0.01","90","","92.921","0.014","90","","1627","2","100","3","100","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H4 K2 O18 S3 U2 -","- H4 K2 O18 S3 U2 -","- H16 K8 O72 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0354","0.0238","","","0.0431","0.0458","","","","","","0.985","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240662","11.1337","0.0015","10.0463","0.0013","14.697","0.002","90","","101.28","0.003","90","","1612.1","0.4","296","3","296","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H7 K O19 S3 U2 -","- H7 K O19 S3 U2 -","- H28 K4 O76 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0139","0.0126","","","0.0298","0.0302","","","","","","1.118","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240663","9.8901","0.0003","16.1105","0.0005","17.2862","0.0005","90","","98.038","0.002","90","","2727.23","0.14","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3.5 O29 S5 U3 -","- K3.5 O29 S5 U3 -","- K14 O116 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0626","0.0358","","","0.0724","0.081","","","","","","1.036","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240664","17.3051","0.0002","12.5613","0.0001","17.324","0.0002","90","","96.577","0.001","90","","3741.01","0.07","293","3","293","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K16 O168 S24 U16 -","8","2","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","x-ray","0.71073","MoKα","","0.0258","0.0212","","","0.0523","0.0543","","","","","","1.034","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240665","11.465","0.007","12.605","0.007","12.944","0.008","90","","90","","90","","1870.6","1.9","296","3","296","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K8 O84 S12 U8 -","4","0.5","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0452","0.0291","","","0.056","0.0619","","","","","","1.064","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240666","12.774","0.004","11.339","0.003","20.734","0.006","90","","92.088","0.006","90","","3001.2","1.5","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3 O34 S5 U3 -","- K3 O34 S5 U3 -","- K12 O136 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0328","0.0252","","","0.053","0.0553","","","","","","1.045","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240667","14.6085","0.0005","12.275","0.0004","10.4746","0.0004","90","","90","","90","","1878.3","0.11","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H28 N6 -","- C19 H28 N6 -","- C76 H112 N24 -","4","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0915","0.0795","","","0.1938","0.2022","","","","","","1.176","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240668","14.7113","0.0003","10.5414","0.0002","24.3585","0.0006","90","","90","","90","","3777.46","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H31 N5 O -","- C18 H31 N5 O -","- C144 H248 N40 O8 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0484","0.047","","","0.1181","0.1199","","","","","","1.095","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240669","5.7373","0.0003","30.1441","0.0016","6.1322","0.0003","90","","109.223","0.003","90","","1001.41","0.09","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H34 N6 -","- C19 H34 N6 -","- C38 H68 N12 -","2","0.5","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.1088","0.0768","","","0.2032","0.2351","","","","","","1.062","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240670","15.07","0.0003","10.3551","0.0002","24.4042","0.0005","90","","90","","90","","3808.31","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H33 N5 -","- C19 H33 N5 -","- C152 H264 N40 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0505","0.0451","","","0.1125","0.1173","","","","","","1.065","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240671","9.15686","0.00013","13.9511","0.0002","14.2096","0.0002","90","","101.125","0.0014","90","","1781.14","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Wang, Kun; Xu, Zhou; Ye, Long-Wu","One-pot synthesis of 2-hydroxymethylindoles via photoredox-catalyzed ketyl‒ynamide coupling/1,3-allylic alcohol transposition","Green Chemistry","2020","22","14","4483","4488","10.1039/D0GC01522A","","","1.54184","CuKα","","0.0377","0.0335","","","0.0822","0.0886","","","","","","1.12","","","","has coordinates","257607","2020-10-21","18:00:00",""
"7240672","25.4166","0.0016","16.5833","0.001","14.6422","0.0008","90","","105.981","0.002","90","","5933","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C69 H56 Cu F6 N2 O3 P3 -","- C69 H56 Cu F6 N2 O3 P3 -","- C276 H224 Cu4 F24 N8 O12 P12 -","4","1","","Forero-Cortés, Paola A.; Marx, Maximilian; Moustakas, Nikolaos G.; Brunner, Fabian; Housecroft, Catherine E.; Constable, Edwin C.; Junge, Henrik; Beller, Matthias; Strunk, Jennifer","Transferring photocatalytic CO2 reduction mediated by Cu(N^N)(P^P)+ complexes from organic solvents into ionic liquid media","Green Chemistry","2020","22","14","4541","4549","10.1039/D0GC01627F","","","0.71073","MoKα","","0.0368","0.0343","","","0.0851","0.0867","","","","","","1.038","","","","has coordinates","257608","2020-10-21","18:00:00",""
"7240673","18.8673","0.0016","10.1312","0.0009","11.7065","0.0011","90","","105.297","0.003","90","","2158.4","0.3","298","2","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O7 -","- C25 H24 O7 -","- C100 H96 O28 -","4","1","","Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing","Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides","RSC Advances","2020","10","37","21895","21906","10.1039/D0RA03919E","","","0.71073","MoKα","","0.1674","0.0644","","","0.1247","0.1586","","","","","","0.881","","","","has coordinates","257982","2020-10-21","18:00:00",""
"7240674","26.1711","0.0017","10.0725","0.0007","11.4469","0.0008","90","","90.896","0.005","90","","3017.1","0.4","170","2","169.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C136 H104 N24 O16 -","8","1","","Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing","Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides","RSC Advances","2020","10","37","21895","21906","10.1039/D0RA03919E","","","1.34139","GaKα","","0.1108","0.0718","","","0.1836","0.2159","","","","","","1.051","","","","has coordinates","257982","2020-10-21","18:00:00",""
"7240675","6.291","0.0005","16.2664","0.0011","23.223","0.002","90","","100","0.18","90","","2340.4","1.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N3 O4 -","- C28 H24 N3 O4 -","- C112 H96 N12 O16 -","4","1","","Youssef, M. Adel; Panda, Siva S.; El-Shiekh, Riham A.; Shalaby, ElSayed M.; Aboshouk, Dalia R.; Fayad, Walid; Fawzy, Nehmedo G.; Girgis, Adel S.","Synthesis and molecular modeling studies of cholinesterase inhibitor dispiro[indoline-3,2′-pyrrolidine-3′,3′′-pyrrolidines]","RSC Advances","2020","10","37","21830","21838","10.1039/D0RA03064C","","x-ray","0.71073","MoKα","","0.4147","0.1146","","0.071","0.0416","0.0416","","","","","","1.0575","","","","has coordinates","257981","2020-10-21","18:00:00",""
"7240676","12.4131","0.0009","7.267","0.0007","13.508","0.001","90","","113.147","0.002","90","","1120.41","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O3 S -","- C10 H12 N4 O3 S -","- C40 H48 N16 O12 S4 -","4","1","","Shah, Syed Raza; Ali, Muhammad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","A highly green approach towards aromatic nitro group substitutions: catalyst free reactions of nitroimidazoles with carbon nucleophiles in water","RSC Advances","2020","10","36","21656","21661","10.1039/D0RA03640D","","","0.71073","MoKα","","0.0609","0.0446","","","0.1165","0.1284","","","","","","1.048","","","","has coordinates","258121","2020-10-21","18:00:00",""
"7240677","12.1408","0.0006","11.8095","0.0006","14.8569","0.0007","90","","108.558","0.002","90","","2019.37","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C80 H96 N16 O24 -","4","1","","Shah, Syed Raza; Ali, Muhammad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","A highly green approach towards aromatic nitro group substitutions: catalyst free reactions of nitroimidazoles with carbon nucleophiles in water","RSC Advances","2020","10","36","21656","21661","10.1039/D0RA03640D","","","0.71073","MoKα","","0.067","0.0506","","","0.1397","0.163","","","","","","1.016","","","","has coordinates","258121","2020-10-21","18:00:00",""
"7240678","5.2044","0.0002","14.896","0.0007","25.4784","0.001","90","","90","","90","","1975.21","0.14","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","DL-Phe-NTA","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Bai, Tianwen; Shen, Bo; Cai, Da; Luo, Yifan; Zhou, Peng; Xia, Jingya; Zheng, Botuo; Zhang, Ke; Xie, Rongze; Ni, Xufeng; Xu, Maosheng; Ling, Jun; Sun, Jihong","Understanding ring-closing and racemization to prepare α-amino acid NCA and NTA monomers: a DFT study.","Physical chemistry chemical physics : PCCP","2020","22","26","14868","14874","10.1039/d0cp01174f","","","0.71073","MoKα","","0.0375","0.0315","","","0.0721","0.075","","","","","","1.03","","","","has coordinates","255106","2020-10-21","18:00:00",""
"7240679","23.099","0.007","10.57","0.003","9.121","0.002","90","","90","","90","","2227","1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H21 Cl N2 O -","- C29 H21 Cl N2 O -","- C116 H84 Cl4 N8 O4 -","4","1","","Zhang, Yuanfei; Huang, Ting; Li, Xinghua; Zhang, Min; Song, Ying; Huang, Kelin; Su, Weiping","Rh(iii)-catalyzed spiroannulation of 3-arylquinoxalin-2(1H)-ones with alkynes: practical access to spiroquinoxalinones","RSC Advances","2020","10","37","22216","22221","10.1039/D0RA03348K","","","0.71073","MoKα","","0.1216","0.0494","","","0.1091","0.1467","","","","","","1.028","","","","has coordinates","257979","2020-10-21","18:00:00",""
"7240680","14.8885","0.0007","15.0825","0.0006","15.1336","0.0006","104.859","0.003","104.285","0.003","117.418","0.003","2639","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 Fe2 N6 O12 -","- C54 H53 Fe2 N6 O12 -","- C108 H106 Fe4 N12 O24 -","2","1","","Taniya, Seikh; Khanra, Somnath; Ta, Sabyasachi; Chatterjee, Sudeshna; Salam, Noor; Das, Debasis","Exploring a new dinuclear Fe(iii) complex for the fixation of atmospheric CO2 and optical recognition of nano-molar levels of Zn2+ ions","RSC Advances","2020","10","37","22284","22290","10.1039/D0RA01698E","","","0.71073","MoKα","","0.1708","0.0773","","","0.1602","0.2255","","","","","","1.027","","","","has coordinates","257980","2020-10-21","18:00:00",""
"7240681","27.761","0.003","15.927","0.002","13.7189","0.0017","90","","116.167","0.002","90","","5444.1","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ca0.5 O10 Zn -","- C19 H12 Ca0.5 O10 Zn -","- C152 H96 Ca4 O80 Zn8 -","8","1","","Ji, Wen-Juan; Liu, Gui-Fang; Wang, Binqiang; Lu, Wenbo; Zhai, Quan-Guo","Design of a heterometallic Zn/Ca-MOF decorated by alkoxy on the pore surface exhibiting high fluorescence sensing performance for Fe3+ and Cr2O72−","CrystEngComm","2020","","","","","10.1039/D0CE00457J","","","0.71073","MoKα","","0.0373","0.0342","","","0.1263","0.1292","","","","","","1.205","","","","has coordinates","253118","2020-10-21","18:00:00",""
"7240682","10.3143","0.0011","13.9869","0.0012","20.0442","0.0009","90","","99.155","0.018","90","","2854.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Cl N2 O4 -","- C33 H33 Cl N2 O4 -","- C132 H132 Cl4 N8 O16 -","4","1","","Lei, Jie; Li, Yong; Xu, Jia; Tang, Dian-Yong; Shao, Jing-Wei; Li, Hong-yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","An acid-catalyzed 1,4-addition isocyanide-based multicomponent reaction in neat water","Green Chemistry","2020","22","12","3716","3720","10.1039/D0GC00652A","","","0.71073","MoKα","","0.1463","0.0607","","","0.1123","0.1398","","","","","","1.1102","","","","has coordinates","257625","2020-10-21","18:00:00",""
"7240683","5.5616","0.0003","17.9003","0.0013","15.541","0.0009","90","","94.111","0.005","90","","1543.19","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1515","0.0684","","","0.1188","0.1447","","","","","","1.004","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240684","8.2749","0.0001","9.8955","0.0001","21.8743","0.0003","82.107","0.001","86.694","0.001","85.775","0.001","1767.32","0.04","30","2","30","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0866","0.0817","","","0.226","0.2295","","","","","","1.162","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240685","9.3748","0.0002","9.6012","0.0002","12.5616","0.0003","90","","104.848","0.002","90","","1092.91","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O -","- C24 H30 N4 O -","- C48 H60 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0627","0.0519","","","0.1233","0.1321","","","","","","1.014","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240686","8.6","0.003","9.896","0.004","11.88","0.003","90","","106.38","0.02","90","","970","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C42 H52 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0508","0.0491","","","0.1291","0.1311","","","","","","1.094","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240687","9.8292","0.0002","12.6358","0.0004","10.1195","0.0002","90","","94.835","0.002","90","","1252.37","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0502","0.0451","","","0.1169","0.1207","","","","","","1.033","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240688","8.9903","0.0005","10.1684","0.0006","10.7191","0.0007","104.553","0.006","110.229","0.006","105.243","0.006","821.31","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C32 H44 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.089","0.0767","","","0.1904","0.2073","","","","","","0.956","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240689","9.6282","0.0001","13.8844","0.0002","11.73","0.0001","90","","102.913","0.001","90","","1528.43","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.0881","0.0747","","","0.1979","0.2109","","","","","","1.037","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240690","7.98857","0.00009","11.71525","0.00011","13.9964","0.00013","90","","90","","90","","1309.9","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O -","- C13 H18 N4 O -","- C52 H72 N16 O4 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0521","0.0474","","","0.1203","0.1235","","","","","","1.071","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240691","9.1851","0.0003","9.3856","0.0002","9.6867","0.0003","68.2","0.002","89.701","0.002","86.138","0.002","773.41","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H24 N4 O3 -","- C13 H24 N4 O3 -","- C26 H48 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0627","0.0609","","","0.1724","0.175","","","","","","1.077","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240692","9.8466","0.0004","9.8466","0.0004","29.7164","0.0012","90","","90","","120","","2495.17","0.18","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C114 H120 N24 O6 -","6","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1011","0.065","","","0.1651","0.1916","","","","","","0.948","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240693","9.7621","0.0004","13.2127","0.0004","21.9038","0.0007","90","","90","","90","","2825.23","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H21 N3 O3 -","- C11 H21 N3 O3 -","- C88 H168 N24 O24 -","8","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1517","0.139","","","0.3735","0.3834","","","","","","1.477","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240694","10.0504","0.0006","24.8719","0.0007","10.3198","0.0006","90","","114.323","0.007","90","","2350.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N5 O2 -","- C23 H39 N5 O2 -","- C92 H156 N20 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1263","0.1049","","","0.2918","0.3114","","","","","","1.255","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240695","12.7286","0.0003","13.6712","0.0003","15.1669","0.0004","90","","113.349","0.003","90","","2423.14","0.11","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C96 H136 N24 O8 -","8","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0369","0.0357","","","0.097","0.098","","","","","","1.051","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240696","5.4173","0.0001","13.9827","0.0002","12.3897","0.0002","90","","91.254","0.001","90","","938.28","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0292","0.0278","","","0.0676","0.0682","","","","","","1.039","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240697","9.7687","0.0005","21.9014","0.0012","13.182","0.0007","90","","89.865","0.005","90","","2820.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H84 N12 O12 -","- C44 H82 N12 O12 -","- C88 H164 N24 O24 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.2136","0.0743","","","0.1561","0.1955","","","","","","0.676","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240698","12.4402","0.0004","12.933","0.0004","19.1393","0.0006","90","","99.889","0.003","90","","3033.55","0.17","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1479","0.1348","","","0.2896","0.2952","","","","","","1.126","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240699","15.4703","0.001","5.1282","0.0002","19.1266","0.0013","90","","112.939","0.005","90","","1397.41","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C60 H72 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1551","0.0633","","","0.1323","0.1584","","","","","","0.861","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240700","9.8805","0.0001","12.7554","0.0002","17.4319","0.0002","90","","90","","90","","2196.94","0.05","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C88 H120 N24 O8 -","8","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.043","0.0415","","","0.1083","0.1094","","","","","","1.069","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240701","12.0576","0.0002","11.3774","0.0002","11.1889","0.0002","90","","90","","90","","1534.94","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H42 N8 O3 -","- C30 H42 N8 O3 -","- C60 H84 N16 O6 -","2","0.5","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0433","0.0386","","","0.0971","0.0998","","","","","","1.066","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240702","6.8313","0.0001","9.9682","0.0002","34.4021","0.0007","90","","90","","90","","2342.64","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N5 O2 -","- C25 H31 N5 O2 -","- C100 H124 N20 O8 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0611","0.0482","","","0.1135","0.1189","","","","","","1.049","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240703","12.447","0.0004","12.0122","0.0005","24.2818","0.0006","90","","102.043","0.002","90","","3550.6","0.2","35","2","35","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H45 N8 O2 -","- C36 H44 N8 O2 -","- C144 H176 N32 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1077","0.0721","","","0.1755","0.1969","","","","","","0.918","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240704","3.95554","0.00005","3.95554","","8.24623","0.00018","90","","90","","90","","129.023","0.003","293","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- As Co F Sm -","- As Co F Sm -","- As2 Co2 F2 Sm2 -","2","0.125","","Lin, Dan; Luo, Qinxin; Zheng, Hui; Tang, Lulu; Zhan, Wenqi; Tang, Kaibin","A new oxygen-free cobalt-based compound SmCoAsF with multiple magnetic transitions","CrystEngComm","2020","","","","","10.1039/D0CE00448K","powder diffraction","","1.54182","CuKα","","0.0443","0.0253","","","0.0186","0.0298","","","1.26","","","","","","","has coordinates","253139","2020-10-21","18:00:00",""
"7240705","11.369","0.006","13.041","0.007","18.032","0.01","90","","91.795","0.006","90","","2672","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cd N4 O4 -","- C33 H30 Cd N4 O4 -","- C132 H120 Cd4 N16 O16 -","4","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0299","0.0247","","","0.0726","0.0756","","","","","","1.061","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240706","10.578","0.004","10.841","0.005","11.676","0.005","100.906","0.006","100.575","0.006","91.284","0.006","1290.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Cd N5 O6 -","- C29 H27 Cd N5 O6 -","- C58 H54 Cd2 N10 O12 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.1075","0.0751","","","0.1795","0.2042","","","","","","1.012","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240707","10.349","0.002","11.096","0.002","13.621","0.003","111.687","0.003","92.716","0.003","95.37","0.003","1441.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32.7 Cd N4 O5.35 -","- C30 H30 Cd N4 O4 -","- C60 H60 Cd2 N8 O8 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0511","0.0361","","","0.0922","0.1081","","","","","","0.932","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240708","9.783","0.0009","12.3051","0.0011","12.3219","0.0012","62.429","0.001","66.999","0.002","79.648","0.003","1210.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 I O3.5 S -","- C27 H26 I O3.5 S -","- C54 H52 I2 O7 S2 -","2","1","","Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Rong; Wang, Shi-Chao; Tu, Shu-Jiang; Jiang, Bo","Electrocatalytic three-component annulation-halosulfonylation of 1,6-enynes toward 1-indanones using sodium halides as both halogen sources and electrolytes","Green Chemistry","2020","22","13","4259","4269","10.1039/D0GC00771D","","","0.71073","MoKα","","0.1054","0.09","","","0.2178","0.2273","","","","","","1.058","","","","has coordinates","257605","2020-10-21","18:00:00",""
"7240709","11.2133","0.0005","9.1206","0.0004","12.1021","0.0005","90","","100.356","0.002","90","","1217.54","0.09","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorinated chalcone","(E)-3-(2,6-difluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C15 H9 F3 O -","- C15 H9 F3 O -","- C60 H36 F12 O4 -","4","1","","Borges, I. D.; Danielli, J. A. V.; Silva, V. E. G.; Sallum, L. O.; Queiroz, J. E.; Dias, L. D.; Iermak, I.; Aquino, G. L. B.; Camargo, A. J.; Valverde, C.; Osório, F. A. P.; Baseia, B.; Napolitano, H. B.","Synthesis and structural studies on (E)-3-(2,6-difluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one: a promising nonlinear optical material","RSC Advances","2020","10","38","22542","22555","10.1039/D0RA03634J","","","0.71073","MoKα","","0.0554","0.046","","","0.1251","0.1356","","","","","","1.122","","","","has coordinates","258136","2020-10-21","18:00:00",""
"7240710","13.6212","0.0015","16.7386","0.0019","17.399","0.002","95.705","0.003","103.882","0.003","112.109","0.003","3487.7","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 H80 Na12 O78 Te2 W8 -","- Cu2 Na12 O78 Te2 W8 -","- Cu4 Na24 O156 Te4 W16 -","2","1","","Li, Xuanyao; Li, Peihe; Liu, Jinghai; Lin, Zhengguo; Hu, Changwen","Copper(ii)-containing tungstotellurates(vi): syntheses, structures and their catalytic performances in selective oxidation of thioethers","RSC Advances","2020","10","38","22515","22521","10.1039/D0RA02609C","","","0.71073","MoKα","","0.0441","0.0356","","","0.0988","0.1056","","","","","","1.038","","","","has coordinates","258137","2020-10-21","18:00:00",""
"7240711","10.484","0.0008","10.68","0.0008","12.0437","0.0009","76.36","0.0017","78.2885","0.0017","61.5611","0.0016","1145.84","0.15","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H48 Cu N2 Na6 O48 Te W6 -","- C4 H16 Cu N2 Na6 O48 Te W6 -","- C4 H16 Cu N2 Na6 O48 Te W6 -","1","0.5","","Li, Xuanyao; Li, Peihe; Liu, Jinghai; Lin, Zhengguo; Hu, Changwen","Copper(ii)-containing tungstotellurates(vi): syntheses, structures and their catalytic performances in selective oxidation of thioethers","RSC Advances","2020","10","38","22515","22521","10.1039/D0RA02609C","","","0.71073","MoKα","","0.0375","0.0364","","","0.0905","0.0914","","","","","","1.032","","","","has coordinates","258137","2020-10-21","18:00:00",""
"7240712","7.528","0.0015","10.29","0.002","31.911","0.006","90.86","0.03","91.05","0.03","98.76","0.03","2442.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd N10 O7 -","- C44 H34 Cd N10 O7 -","- C88 H68 Cd2 N20 O14 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0502","0.0441","","","0.1309","0.135","","","","","","1.007","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240713","10.952","0.002","10.209","0.002","19.122","0.006","90","","110.35","0.03","90","","2004.6","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 Cd N10 O8 -","- C46 H28 Cd N10 O8 -","- C92 H56 Cd2 N20 O16 -","2","0.5","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0404","0.0348","","","0.1197","0.1244","","","","","","0.979","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240714","32.636","0.007","10.132","0.002","19.09","0.004","90","","124.35","0.03","90","","5212","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N5 O5 Zn -","- C26 H17 N5 O5 Zn -","- C208 H136 N40 O40 Zn8 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.053","0.0381","","","0.0931","0.0987","","","","","","0.968","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240715","23.202","0.005","10.079","0.002","20.756","0.004","90","","107.98","0.03","90","","4616.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mn N6 O4 -","- C26 H18 Mn N6 O4 -","- C208 H144 Mn8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0587","0.0427","","","0.145","0.1571","","","","","","1.093","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240716","7.5418","0.0015","10.112","0.002","31.857","0.006","89.12","0.03","89.16","0.03","81.85","0.03","2404.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 O7 Zn -","- C44 H34 N10 O7 Zn -","- C88 H68 N20 O14 Zn2 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1179","0.0663","","","0.1642","0.184","","","","","","0.92","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240717","10.441","0.002","9.816","0.002","20.601","0.004","90","","93.04","0.03","90","","2108.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 N5 O4 Zn -","- C23 H14 N5 O4 Zn -","- C92 H56 N20 O16 Zn4 -","4","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0316","0.027","","","0.0728","0.0746","","","","","","0.963","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240718","8.7507","0.0018","9.6193","0.0019","29.783","0.006","83.82","0.03","87.73","0.03","86.26","0.03","2485.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Cu N10 O9 -","- C46 H32 Cu N10 O9 -","- C92 H64 Cu2 N20 O18 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1135","0.0598","","","0.1433","0.1612","","","","","","0.89","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240719","23.049","0.005","10.196","0.002","21.45","0.004","90","","107.36","0.03","90","","4811.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N6 O6 -","- C26 H16 Cd N6 O6 -","- C208 H128 Cd8 N48 O48 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0443","0.0349","","","0.1023","0.1135","","","","","","0.965","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240720","23.214","0.005","10.138","0.002","20.831","0.004","90","","108.02","0.03","90","","4662","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N5 O5 -","- C26 H17 Cd N5 O5 -","- C208 H136 Cd8 N40 O40 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.044","0.0354","","","0.129","0.1378","","","","","","1.055","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240721","23.391","0.005","10.103","0.002","20.736","0.004","90","","107.76","0.03","90","","4666.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O4 -","- C26 H18 Cd N6 O4 -","- C208 H144 Cd8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0552","0.0435","","","0.1172","0.1232","","","","","","1.03","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240722","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.35307","synchrotron","","0.0334","0.0334","","0.0207","0.0207","","","","1.6975","1.6975","1.6975","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240723","4.5076","0.0001","7.7027","0.0001","15.9229","0.0003","90","","90","","90","","552.854","0.018","15","2","15","2","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0212","0.0212","","0.0213","0.0213","","","","2.9351","2.9351","2.9351","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240724","5.8331","0.0001","5.9439","0.0001","18.792","0.0004","90","","91.305","0.001","90","","651.38","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium hydrogen maleate dihydrate","","","- C4 H7 Li O6 -","- C4 H7 Li O6 -","- C16 H28 Li4 O24 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.71073","MoKα","","0.0195","0.0195","","0.016","0.016","","","","2.4666","2.4666","2.4666","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240725","5.9224","0.0004","6.2512","0.0003","11.2141","0.0007","103.935","0.007","91.49","0.006","99.823","0.007","396.07","0.04","15","2","15","2","","","","","","","","4","P -1","-P 1","2","Sodium hydrogen maleate trihydrate","","","- C4 H9 Na O7 -","- C4 H9 Na O7 -","- C8 H18 Na2 O14 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0185","0.0185","","0.0194","0.0194","","","","3.8153","3.8153","3.8153","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240726","7.8528","0.0001","5.5451","0.0001","10.9223","0.0002","90","","96.394","0.007","90","","472.648","0.015","16.5","1","16.5","1","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0195","0.0195","","0.0171","0.0171","","","","2.5401","2.5401","2.5401","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240727","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.354","synchrotron","","0.0204","0.0204","","0.0213","0.0213","","","","0.8688","0.8688","0.8688","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240728","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0159","0.0159","","0.0168","0.0168","","","","3.0663","3.0663","3.0663","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240729","9.9819","0.0006","7.1284","0.0004","11.8414","0.0007","90","","114.07","0.002","90","","769.31","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C24 H30 N14 O14 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0637","0.0522","","","0.1176","0.1263","","","","","","1.147","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240730","12.462","0.002","6.7318","0.0011","18.747","0.003","90","","107.065","0.005","90","","1503.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C48 H60 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0979","0.0519","","","0.133","0.1764","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240731","21.997","0.008","6.972","0.002","20.77","0.007","90","","90","","90","","3185.4","1.8","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","triethylamine picric acid salt","","","- C24 H36 N8 O14 -","- C24 H36 N8 O14 -","- C96 H144 N32 O56 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1399","0.077","","","0.1751","0.2159","","","","","","1.004","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240732","6.9949","0.0009","12.5916","0.0019","19.969","0.003","90","","90","","90","","1758.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triamine picric acid salt, 1:1","","","- C12 H21 N7 O7 -","- C12 H21 N7 O7 -","- C48 H84 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1804","0.0686","","","0.1592","0.1967","","","","","","0.893","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240733","8.4362","0.0009","12.5183","0.0014","18.3788","0.0019","72.109","0.003","83.298","0.003","72.28","0.003","1758.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","triamine picric acid salt, 1:3","","","- C25 H31 N13 O22 -","- C25 H31 N13 O22 -","- C50 H62 N26 O44 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0888","0.0592","","","0.1603","0.1774","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240734","14.1276","0.0006","10.6978","0.0005","24.1392","0.0011","90","","106.656","0.001","90","","3495.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triamine picric acid salt, 1:3","","","- C24 H31 N13 O23 -","- C24 H31 N13 O23 -","- C96 H124 N52 O92 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0685","0.0495","","","0.1475","0.1682","","","","","","1.124","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240735","10.21","0.002","12.081","0.002","13.653","0.003","109.44","0.03","100.57","0.03","90.58","0.03","1556.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Anisole)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C20 H16 N3 O -","- C20 H16 N3 O -","- C80 H64 N12 O4 -","4","2","","Bazzi, Fadwat; Danke, Alexander J.; Lawson, Daniel B.; Manoli, Maria; Leitus, Gregory; Koutentis, Panayiotis Andreas; Constantinides, Christos P.","1-(2-Methoxyphenyl)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl: A Tricky “Structure-to-Magnetism” Correlation Aided by DFT Calculations","CrystEngComm","2020","","","","","10.1039/D0CE00669F","","","0.71073","MoKα","","0.0663","0.0571","","","0.1474","0.1533","","","","","","1.069","","","","has coordinates","253190","2020-10-21","18:00:00",""
"7240736","13.6722","0.0004","21.2561","0.0006","8.9159","0.0002","90","","95.877","0.001","90","","2577.5","0.12","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxy-5-methylbenzoyl)-5-methylbenzaldehyde","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok","Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation","Green Chemistry","2020","22","14","4523","4531","10.1039/D0GC01011A","","","0.71073","MoKα","","0.058","0.0499","","","0.1428","0.1507","","","","","","1.067","","","","has coordinates","257611","2020-10-21","18:00:00",""
"7240737","7.3618","0.0003","7.4104","0.0002","25.4612","0.0009","90","","95.2808","0.0014","90","","1383.11","0.08","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxy-5-methylbenzoyl)-1-naphthaldehyde","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok","Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation","Green Chemistry","2020","22","14","4523","4531","10.1039/D0GC01011A","","","0.71073","MoKα","","0.0504","0.0429","","","0.1088","0.1157","","","","","","1.069","","","","has coordinates","257611","2020-10-21","18:00:00",""
"7240738","18.554","0.002","11.4743","0.0012","22.167","0.002","90","","113.88","0.004","90","","4315.2","0.8","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu F6 N2 O P3 -","- C48 H40 Cu F6 N2 O P3 -","- C192 H160 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0287","0.0284","","0.064","0.0639","0.064","","","","","","0.9127","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240739","11.8055","0.0003","15.0529","0.0004","18.6132","0.0005","113.589","0.002","92.96","0.002","108.444","0.002","2814.51","0.15","130","","130","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C54.33 H50.66 Cl4.66 Cu F6 N2 O P3 -","- C52 H46 Cu F6 N2 O P3 -","- C104 H92 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.34143","GaKα","","0.1253","0.0987","","0.3222","0.2929","0.3106","","","","","","1.0878","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240740","10.1954","0.001","21.104","0.002","10.7666","0.001","90","","102.835","0.003","90","","2258.7","0.4","123","","123","","","","","","","","Sarah Keller","7","P 1 21 1","P 2yb","4","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C102 H88 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0195","0.0195","","0.022","0.022","0.0219","","","","","","1.0919","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240741","12.3597","0.0008","16.6878","0.0011","21.4238","0.0014","90","","99.561","0.002","90","","4357.4","0.5","123","","123","","","","","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cu F6 N2 O P3 -","- C50 H44 Cu F6 N2 O P3 -","- C200 H176 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.048","0.0479","","0.0477","0.0476","0.0476","","","","","","1.097","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240742","10.164","0.0008","13.9335","0.0011","18.7219","0.0014","102.552","0.002","97.085","0.002","107.584","0.002","2415.7","0.3","123","","123","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C51 H42 Cl2 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.5418","CuKα","","0.0344","0.034","","0.0808","0.0808","0.0808","","","","","","0.9218","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240743","10.5631","0.0008","21.3906","0.0016","20.2696","0.0015","90","","93.185","0.003","90","","4572.9","0.6","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H44 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C212 H176 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0471","0.0444","","0.1019","0.101","0.1019","","","","","","0.8993","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240744","9.7384","0.0007","14.1543","0.001","18.9271","0.0013","74.958","0.002","84.595","0.002","87.789","0.003","2508.1","0.3","130","","130","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C55 H57 Cu F6 N2 O2.5 P3 -","- C49 H42 Cu F6 N2 O P3 -","- C98 H84 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.5418","CuKα","","0.0521","0.049","","0.1501","0.1441","0.1498","","","","","","0.9723","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240745","7.6541","0.0006","14.2569","0.0015","17.3435","0.0011","89.723","0.007","87.557","0.006","87.201","0.008","1888.6","0.3","119.95","0.11","119.95","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 Cl6 Ho2 N4 O12 -","- C20 H40 Cl6 Ho2 N4 O12 -","- C40 H80 Cl12 Ho4 N8 O24 -","2","1","","Yinhua, Deng; Foroughi, Mohammad Mehdi; Aramesh-Boroujeni, Zahra; Jahani, Shohreh; Peydayesh, Mohadesh; Borhani, Fariba; Khatami, Mehrdad; Rohani, Meysam; Dusek, Michal; Eigner, Vaclav","The synthesis, characterization, DNA/BSA/HSA interactions, molecular modeling, antibacterial properties, and in vitro cytotoxic activities of novel parent and niosome nano-encapsulated Ho(iii) complexes","RSC Advances","2020","10","39","22891","22908","10.1039/D0RA03436C","","x-ray","0.71073","MoKα","","0.0626","0.0255","","","0.045","0.0467","","","","1.52","1.52","1.11","","","","has coordinates","258029","2020-10-21","18:00:00",""
"7240746","36.47","0.002","8.5892","0.0006","17.3656","0.0013","90","","99.376","0.006","90","","5367.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H35 Cl2 Co N15 O -","- C12 H35 Cl2 Co N15 O -","- C96 H280 Cl16 Co8 N120 O8 -","8","1","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1083","0.0601","","","0.1331","0.1598","","","","","","1.009","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240747","13.3863","0.0006","14.8373","0.0009","15.7512","0.0009","90","","104.757","0.005","90","","3025.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H46 Cl2 N20 Ni2 O2 -","- C16 H46 Cl2 N20 Ni2 O2 -","- C64 H184 Cl8 N80 Ni8 O8 -","4","1","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1088","0.0554","","","0.1135","0.1444","","","","","","1.133","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240748","12.52","0.0012","7.514","0.0006","13.0298","0.0013","90","","113.199","0.012","90","","1126.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MetZn","","- C4 H12 Cl3 N5 Zn -","- C4 H12 Cl3 N5 Zn -","- C16 H48 Cl12 N20 Zn4 -","4","1","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.0553","0.0373","","","0.0823","0.0928","","","","","","1.09","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240749","5.1596","0.0014","11.562","0.002","15.091","0.004","90","","95.63","0.03","90","","895.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","MFNCu1","","- C8 H26 Cl2 Cu N10 O2 -","- C8 H26 Cl2 Cu N10 O2 -","- C16 H52 Cl4 Cu2 N20 O4 -","2","0.5","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1055","0.0585","","","0.1284","0.157","","","","","","1.041","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240750","13.9738","0.0004","9.4252","0.0002","22.9485","0.0006","90","","102.3","0.001","90","","2953.07","0.13","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N4 -","- C40 H28 N4 -","- C160 H112 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.0463","0.0375","","","0.0861","0.0923","","","","","","1.034","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240751","13.0705","0.0004","9.7279","0.0003","22.9944","0.0007","90","","101.425","0.001","90","","2865.77","0.15","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C160 H104 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.0526","0.0415","","","0.1001","0.1079","","","","","","1.02","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240752","13.2852","0.0005","9.7783","0.0003","18.6415","0.0006","90","","94.186","0.001","90","","2415.2","0.14","170","2","169.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.047","0.0386","","","0.0934","0.0997","","","","","","1.031","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240753","10.4077","","7.7565","","27.7255","","90","","90","","90","","2238.21","","298","2","298","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","Zn-ornidazole","","","- C14 H20 Cl4 N6 O6 Zn -","- C14 H20 Cl4 N6 O6 Zn -","- C56 H80 Cl16 N24 O24 Zn4 -","4","1","","Nandy, Promita; Singha, Soumen; Banyal, Neha; Kumar, Sanjay; Mukhopadhyay, Kasturi; Das, Saurabh","A ZnII complex of ornidazole with decreased nitro radical anions that is still highly active on Entamoeba histolytica","RSC Advances","2020","10","39","23286","23296","10.1039/D0RA02597F","powder diffraction","x-ray","1.54056","Cu-Kα1","","","","","","","","","","","","","","","","","has coordinates","258030","2020-10-21","18:00:00",""
"7240754","16.946","0.003","9.3354","0.0019","14.414","0.003","90","","120.28","0.03","90","","1969.2","0.9","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dihydraine tetranitroethide","","- C2 H10 N8 O8 -","- C2 H10 N8 O8 -","- C16 H80 N64 O64 -","8","1","","Mei, Haozheng; Yang, Junqing; Cao, Wenli; Hu, Yong; He, Piao; Zhang, Jian-Guo","A new oxygen-rich energetic salt dihydrazine tetranitroethide: a promising explosive alternative with high density and good performance","RSC Advances","2020","10","39","23250","23253","10.1039/D0RA04167J","","","0.71073","MoKα","","0.0595","0.0511","","","0.1176","0.1236","","","","","","1.12","","","","has coordinates,has disorder","258031","2020-10-21","18:00:00",""
"7240755","11.8025","0.0004","6.6554","0.0002","19.9584","0.0008","90","","90.687","0.002","90","","1567.63","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Liu, Yi; Meng, Ya-Nan; Huang, Xun-Jie; Qin, Fu-Hua; Wu, Dapeng; Shao, Qianjun; Guo, Zhiyong; Li, Qiang; Wei, Wen-Ting","Radical cyclization of 1,6-dienes with azobis(alkylcarbonitriles) on water under additive-free conditions","Green Chemistry","2020","22","14","4593","4596","10.1039/D0GC00140F","","","1.54178","CuKα","","0.0698","0.0482","","","0.1227","0.1363","","","","","","1.024","","","","has coordinates","257609","2020-10-21","18:00:00",""
"7240756","15.6845","0.0013","18.3664","0.0015","21.3297","0.0012","90","","100.584","0.007","90","","6039.9","0.8","102.4","","102.4","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","crystal-10","","- C25.5 H31.5 N8.5 O10.5 Zn -","- C25.5 H31.5 N8.5 O10.5 Zn -","- C204 H252 N68 O84 Zn8 -","8","1","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.0853","0.057","","","0.1026","0.1149","","","","","","1.043","","","","has coordinates,has disorder","258032","2020-10-21","18:00:00",""
"7240757","12.091","0.002","12.459","0.003","17.13","0.003","90.42","0.03","104.13","0.03","95.41","0.03","2490","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","HAN 10","","- C39 H37 Cd2 N13 O21 -","- C39 H37 Cd2 N13 O20 -","- C78 H74 Cd4 N26 O40 -","2","1","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.071","0.0575","","","0.1631","0.175","","","","","","1.08","","","","has coordinates","258032","2020-10-21","18:00:00",""
"7240758","27.308","0.006","19.968","0.005","16.327","0.003","90","","90","","90","","8903","3","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","beautiful hen","","- C66 H69 Eu2 N18 O30 S6 -","- C66 H69 Eu2 N18 O30 S6 -","- C264 H276 Eu8 N72 O120 S24 -","4","0.5","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.1437","0.0728","","","0.1676","0.2027","","","","","","1.031","","","","has coordinates,has disorder","258032","2020-10-21","18:00:00",""
"7240759","16.882","0.002","16.882","0.002","16.323","0.002","90","","90","","90","","4652.1","1","100","","100","","","","","","","","see text","3","I 41/a :2","-I 4ad","88","","","","- C40 H84 Si5 -","- C40 H84 Si5 -","- C160 H336 Si20 -","4","0.25","","Herz, Fabian A. D.; Nobis, Matthias; Wendel, Daniel; Pahl, Philipp; Altmann, Philipp J.; Tillmann, Jan; Weidner, Richard; Inoue, Shigeyoshi; Rieger, Bernhard","Application of multifunctional silylenes and siliranes as universal crosslinkers for metal-free curing of silicones","Green Chemistry","2020","22","14","4489","4497","10.1039/D0GC00272K","","x-ray","0.71073","MoKα","","0.0496","0.0431","","","0.1071","0.1125","","","","","","1.035","","","","has coordinates","257610","2020-10-21","18:00:00",""
"7240760","11.5002","0.0007","11.7543","0.0008","14.3642","0.001","97.266","0.005","106.616","0.005","111.9","0.005","1666","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N5 O4 -","- C37 H33 N5 O4 -","- C74 H66 N10 O8 -","2","1","","Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Mohammad Ali Al-Aizari, Abdul Jaleel; Alaqeel, Shatha Ibrahim; Kansız, Sevgi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Dege, Necmi","Regio- and diastereoselective synthesis of spiropyrroloquinoxaline grafted indole heterocyclic hybrids and evaluation of their anti-Mycobacterium tuberculosis activity","RSC Advances","2020","10","40","23522","23531","10.1039/D0RA02525A","","","0.71073","MoKα","","0.1384","0.0698","","","0.1805","0.2179","","","","","","0.982","","","","has coordinates","258086","2020-10-21","18:00:00",""
"7240761","6.4218","0.0006","14.8289","0.0014","20.2173","0.0019","90","","96.132","0.002","90","","1914.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-3,4-xylenol'","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0753","0.0486","","","0.1095","0.1226","","","","","","1.023","","","","has coordinates","253345","2020-10-21","18:00:00",""
"7240762","6.3007","0.0003","20.7627","0.0011","29.9858","0.0014","90","","95.787","0.002","90","","3902.7","0.3","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","","'4,4-isopropylidene bisphenol-2,3-xylenol-3,5-xylenol'","","- C92 H104 O12 -","- C92 H104 O12 -","- C184 H208 O24 -","2","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.044","0.0412","","","0.1009","0.1025","","","","","","1.048","","","","has coordinates","253345","2020-10-21","18:00:00",""
"7240763","30.65","0.002","6.3048","0.0005","39.852","0.003","90","","91.359","0.002","90","","7698.9","1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","'4,4-isopropylidene bisphenol-2,3-xylenol-2,6-xylenol'","","- C46 H52 O6 -","- C46 H52 O6 -","- C368 H416 O48 -","8","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0417","0.0387","","","0.0996","0.1021","","","","","","1.036","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240764","21.058","0.0009","15.538","0.0006","21.249","0.001","90","","98.481","0.001","90","","6876.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-4,4'-(9-fluorenylidene) bisphenol-2,6-xylenol-3,5-xylenol'","","- C88 H78 O9 -","- C88 H78 O9 -","- C352 H312 O36 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0894","0.05","","","0.111","0.13","","","","","","1.019","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240765","10.8245","0.0004","12.1894","0.0003","13.0365","0.0004","81.94","0.002","69.924","0.003","84.811","0.002","1597.96","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 La N2 O8 -","- C29 H45 La N2 O8 -","- C58 H90 La2 N4 O16 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0329","0.0262","","","0.0601","0.0623","","","","","","1.038","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240766","10.8521","0.0003","12.2651","0.0004","13.0496","0.0004","79.711","0.003","69.4","0.003","84.672","0.003","1598.87","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","1","0.5","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0467","0.0343","","","0.0611","0.0634","","","","","","0.999","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240767","10.8462","0.0004","12.2567","0.0004","13.0356","0.0004","80.342","0.003","69.642","0.003","84.833","0.003","1600.72","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 N2 O8 Pr -","- C29 H45 N2 O8 Pr -","- C58 H90 N4 O16 Pr2 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0312","0.0237","","","0.0469","0.0484","","","","","","1.046","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240768","7.145","0.0006","10.3161","0.0009","12.2769","0.0011","101.41","0.003","103.927","0.003","93.498","0.002","855.32","0.13","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 F3 N3 O S2 -","- C17 H15 F3 N3 O S2 -","- C34 H30 F6 N6 O2 S4 -","2","1","","Li, Xiao-Yun; Liu, Yan; Chen, Xiao-Lan; Lu, Xin-Yuan; Liang, Xing-Xing; Zhu, Shan-Shan; Wei, Chuan-Wan; Qu, Ling-Bo; Yu, Bing","6π-Electrocyclization in water: microwave-assisted synthesis of polyheterocyclic-fused quinoline-2-thiones","Green Chemistry","2020","22","14","4445","4449","10.1039/C9GC04445K","","","0.71073","MoKα","","0.0629","0.052","","","0.1399","0.1501","","","","","","1.029","","","","has coordinates","257612","2020-10-21","18:00:00",""
"7240769","12.4441","0.0002","12.4441","0.0002","19.0521","0.0005","90","","90","","90","","2950.32","0.1","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C21 H15 Er8 Na4 O50 -","- C20.25 H14 Er8 Na4 O49 -","- C40.5 H28 Er16 Na8 O98 -","2","0.125","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0225","0.0199","","","0.0417","0.0425","","","","","","1.095","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240770","12.5792","0.0004","12.5792","0.0004","19.2471","0.0008","90","","90","","90","","3045.59","0.19","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Na2 O27.5 Tb4 -","- C10.25 H4 Na2 O27.5 Tb4 -","- C41 H16 Na8 O110 Tb16 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0439","","","0.1022","0.105","","","","","","1.255","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240771","12.5277","0.0003","12.5277","0.0003","19.1754","0.0008","90","","90","","90","","3009.45","0.16","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Dy4 Na2 O27.5 -","- C10.25 H4 Dy4 Na2 O27.5 -","- C41 H16 Dy16 Na8 O110 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.039","0.0309","","","0.0789","0.0824","","","","","","1.104","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240772","10.7418","0.0003","10.043","0.0002","14.6765","0.0004","90","","104.329","0.003","90","","1534.04","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N O5 P -","- C14 H20 N O5 P -","- C56 H80 N4 O20 P4 -","4","1","","Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł","A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC","RSC Advances","2020","10","40","24045","24056","10.1039/D0RA03764H","","","0.71073","MoKα","","0.036","0.028","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","258085","2020-10-21","18:00:00",""
"7240773","9.9692","0.0003","17.6005","0.0005","10.3762","0.0003","90","","111.329","0.004","90","","1695.94","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 N2 O6 P -","- C13 H25 N2 O6 P -","- C52 H100 N8 O24 P4 -","4","1","","Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł","A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC","RSC Advances","2020","10","40","24045","24056","10.1039/D0RA03764H","","","0.71073","MoKα","","0.0456","0.0308","","","0.0677","0.0708","","","","","","0.941","","","","has coordinates","258085","2020-10-21","18:00:00",""
"7240774","23.791","0.002","6.7169","0.0006","17.0032","0.0016","90","","103.374","0.004","90","","2643.5","0.4","90","0.2","90","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C57 H58 Cl2 N4 O12 -","- C57 H58 Cl2 N4 O12 -","- C114 H116 Cl4 N8 O24 -","2","0.5","","George, Nathaniel; Ofori, Samuel; Parkin, Sean; Awuah, Samuel G.","Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride","RSC Advances","2020","10","40","24017","24026","10.1039/D0RA04110F","","","1.54178","CuKα","","0.0427","0.038","","","0.0975","0.1008","","","","","","1.033","","","","has coordinates,has disorder","258084","2020-10-21","18:00:00",""
"7240775","65.1891","0.0018","7.4274","0.0002","5.7999","0.0002","90","","90","","90","","2808.23","0.15","123","","123","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H28 O2 S3 -","- C38 H28 O2 S3 -","- C152 H112 O8 S12 -","4","0.5","","Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao","Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application","RSC Advances","2020","10","40","24057","24062","10.1039/D0RA04742B","","","0.71075","MoKα","","0.0472","0.0429","","","0.1058","0.1077","","","","","","1.065","","","","has coordinates","258083","2020-10-21","18:00:00",""
"7240776","9.486","0.004","14.918","0.006","19.581","0.009","82.727","0.008","87.506","0.008","89.924","0.007","2746","2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 N2 S3 -","- C38 H22 N2 S3 -","- C152 H88 N8 S12 -","4","2","","Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao","Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application","RSC Advances","2020","10","40","24057","24062","10.1039/D0RA04742B","","","0.71075","MoKα","","0.207","0.0861","","","0.1615","0.2189","","","","","","0.925","","","","has coordinates","258083","2020-10-21","18:00:00",""
"7240777","12.7076","0.0004","26.0229","0.0009","11.0787","0.0004","90","","100.187","0.002","90","","3605.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O9 U -","- C16 H16 O9 U -","- C128 H128 O72 U8 -","8","2","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0776","0.0412","","","0.0681","0.0774","","","","","","1.013","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240778","9.4519","0.0004","28.081","0.0011","13.1169","0.0005","90","","103.668","0.003","90","","3382.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O12 U -","- C32 H38 N2 O12 U -","- C128 H152 N8 O48 U4 -","4","1","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0714","0.0447","","","0.1062","0.1172","","","","","","1.024","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240779","9.6028","0.0002","12.4495","0.0003","20.1988","0.0005","79.199","0.001","83.798","0.001","84.017","0.001","2349.37","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0555","0.0329","","","0.0613","0.067","","","","","","1.009","","","","has coordinates,has disorder","253431","2020-10-21","18:00:00",""
"7240780","17.282","0.01","7.629","0.004","41.71","0.02","90","","98.812","0.017","90","","5434","5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pterostilbene","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","2","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Frontera, Antonio","A Late Appearing Polymorph of Nutraceutical Pterostilbene","CrystEngComm","2020","","","","","10.1039/D0CE00837K","","","0.71073","MoKα","","0.0746","0.0489","","","0.1029","0.1173","","","","","","1.063","","","","has coordinates","253464","2020-10-21","18:00:00",""
"7240781","10.61","0.0012","9.0183","0.001","23.47","0.003","90","","98.891","0.002","90","","2218.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C108 H92 N12 O12 -","4","1","","Wang, Zhan-Yong; Yang, Ting; Chen, Rongxiang; Ma, Xueji; Liu, Huan; Wang, Kai-Kai","1,3-Dipolar cycloaddition of isatin N,N′-cyclic azomethine imines with α,β-unsaturated aldehydes catalyzed by DBU in water","RSC Advances","2020","10","41","24288","24292","10.1039/D0RA03806G","","","0.71073","MoKα","","0.1209","0.0591","","","0.1131","0.1328","","","","","","0.959","","","","has coordinates","257996","2020-10-21","18:00:00",""
"7240782","31.47","0.02","8.542","0.006","16.198","0.012","90","","95.7","0.015","90","","4333","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C216 H184 N24 O24 -","8","1","","Wang, Zhan-Yong; Yang, Ting; Chen, Rongxiang; Ma, Xueji; Liu, Huan; Wang, Kai-Kai","1,3-Dipolar cycloaddition of isatin N,N′-cyclic azomethine imines with α,β-unsaturated aldehydes catalyzed by DBU in water","RSC Advances","2020","10","41","24288","24292","10.1039/D0RA03806G","","","0.71073","MoKα","","0.1305","0.0517","","","0.1073","0.1313","","","","","","0.951","","","","has coordinates","257996","2020-10-21","18:00:00",""
"7240783","16.469","0.002","8.1558","0.0008","16.897","0.002","90","","118.733","0.017","90","","1990.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Ni O2 -","- C42 H48 N4 Ni O2 -","- C84 H96 N8 Ni2 O4 -","2","0.5","","Nasibipour, Mina; Safaei, Elham; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej","Ancillary ligand electro-activity effects towards phenyl acetylene homocoupling reaction by a nickel(ii) complex of a non-innocent O-amino phenol ligand: a mechanistic insight","RSC Advances","2020","10","41","24176","24189","10.1039/D0RA04362A","","","0.71073","MoKα","","0.0742","0.0462","","","0.1037","0.1146","","","","","","0.977","","","","has coordinates","257994","2020-10-21","18:00:00",""
"7240784","11.1374","0.0006","11.874","0.0006","13.7441","0.0009","84.977","0.002","82.117","0.002","72.438","0.001","1714.45","0.17","296","1","296","1","","","","","","","separation","6","P -1","-P 1","2","3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) ‒dione","3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) ‒dione","","- C32 H37 Cl Mg N4 O6 -","- C32 H37 Cl Mg N4 O6 -","- C64 H74 Cl2 Mg2 N8 O12 -","2","1","","Zhu, Jin-xin; Lu, Yaojia; Chen, Jun; Chen, Jianwei; Zhang, Huawei; Bao, Xiaoze; Ye, Xinyi; Wang, Hong","Total synthesis of quinolactacin-H from marine-derived Penicillium sp. ENP701 and biological activities","RSC Advances","2020","10","41","24251","24254","10.1039/D0RA05244B","","","0.71073","MoKα","","0.1498","0.1216","","","0.2572","0.2686","","","","","","1.005","","","","has coordinates","257993","2020-10-21","18:00:00",""
"7240785","10.245","0.0012","12.4101","0.001","14.5367","0.0013","112.234","0.008","106.909","0.01","94.287","0.008","1600.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H46 Eu2 F12 N8 O10 -","- C70 H46 Eu2 F12 N8 O10 -","- C70 H46 Eu2 F12 N8 O10 -","1","0.5","","Zhao, Yafeng; Xu, Yanhong; Xu, Bing; Cen, Peipei; Song, Weiming; Duan, Lijuan; Liu, Xiangyu","A dual-sensitized luminescent europium(iii) complex as a photoluminescent probe for selectively detecting Fe3+","RSC Advances","2020","10","41","24244","24250","10.1039/D0RA03821K","","","0.71073","MoKα","","0.0979","0.0714","","","0.1437","0.16","","","","","","1.011","","","","has coordinates","257995","2020-10-21","18:00:00",""
"7240786","10.303","0.0003","19.0612","0.0005","11.2798","0.0003","90","","98.019","0.002","90","","2193.55","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","m-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0473","0.0353","","","0.0999","0.1058","","","","","","1.054","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240787","10.2892","0.0002","18.7516","0.0003","11.5557","0.0002","90","","99.881","0.002","90","","2196.47","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","p-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0463","0.0393","","","0.121","0.1258","","","","","","1.051","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240788","8.7422","0.0003","12.136","0.0007","12.4046","0.0005","60.769","0.005","89.027","0.003","86.065","0.004","1145.57","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Penta-fluorobenzoate-tin-porphrin","","","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","1","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0441","0.0428","","","0.1104","0.1116","","","","","","1.059","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240789","20.36","0.007","20.36","0.007","25.461","0.011","90","","90","","120","","9140","6","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C162 H288 Cl18 N12 O78 -","- C240 H276 N12 O60 -","- C240 H276 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2802","0.1895","","","0.5185","0.5845","","","","","","1.997","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240790","14.996","0.005","15.49","0.005","19.749","0.006","69.675","0.004","70.062","0.004","82.109","0.004","4043","2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C162 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.1666","0.1181","","","0.348","0.3865","","","","","","1.053","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240791","15.062","0.003","15.485","0.003","19.841","0.004","69.18","0.002","69.948","0.002","81.943","0.002","4062.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2152","0.1462","","","0.4338","0.4689","","","","","","1.527","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240792","20.144","0.005","20.144","0.005","25.29","0.007","90","","90","","120","","8887","4","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C165 H234 Cl18 N12 O48 -","- C282 H324 N12 O60 -","- C282 H324 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2126","0.1692","","","0.5562","0.6065","","","","","","2.862","","","","has coordinates,has disorder","253506","2020-10-21","18:00:00",""
"7240793","15.207","0.009","15.514","0.009","19.951","0.012","69.268","0.007","69.788","0.008","81.759","0.008","4130","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H244 Cl6 N10 O36 -","- C114 H124 N4 O28 -","- C114 H124 N4 O28 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2182","0.1379","","","0.4028","0.4565","","","","","","1.268","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240794","7.0087","0.0001","12.3981","0.0002","15.1304","0.0003","90","","90","","90","","1314.75","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-fluorouracil L-phenylalanine","5-Fluoropyrimidine-2,4(1H,3H)-dione 2-ammonio-3-phenylpropanoate","","- C13 H14 F N3 O4 -","- C13 H14 F N3 O4 -","- C52 H56 F4 N12 O16 -","4","1","","Wang, Lin-Lin; Wang, Ling-Yang; Yu, Yueming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Cocrystallization of 5-fluorouracil and L-phenylalanine: The first zwitterionic cocrystal of 5-fluorouracil with amino acid exhibiting the perfected in vitro/vivo pharmaceutical properties","CrystEngComm","2020","","","","","10.1039/D0CE00713G","","","1.54184","CuKα","","0.0344","0.032","","","0.0754","0.0775","","","","","","1.059","","","","has coordinates","253543","2020-10-21","18:00:00",""
"7240795","8.9985","0.0002","11.8275","0.0003","17.5639","0.0003","90","","103.4","0.002","90","","1818.43","0.07","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N5 O8 P2 -","- C11 H19 N5 O8 P2 -","- C44 H76 N20 O32 P8 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","","0.71073","MoKα","","0.071","0.0498","","","0.1299","0.1378","","","","","","1.07","","","","has coordinates,has disorder","258025","2020-10-21","18:00:00",""
"7240796","13.3844","0.0006","17.2947","0.0006","19.5123","0.0008","90","","106.525","0.005","90","","4330.1","0.3","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Eu N11 O20 P4 -","- C25 H44 Eu N11 O20 P4 -","- C100 H176 Eu4 N44 O80 P16 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.0861","0.0591","","","0.1413","0.1622","","","","","","1.031","","","","has coordinates","258025","2020-10-21","18:00:00",""
"7240797","13.134","0.002","17.152","0.002","19.453","0.003","90","","107.506","0.019","90","","4179.3","1.1","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 N11 O20 P4 Tb -","- C25 H44 N11 O20 P4 Tb -","- C100 H176 N44 O80 P16 Tb4 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.1448","0.079","","","0.1684","0.2067","","","","","","0.983","","","","has coordinates,has disorder","258025","2020-10-21","18:00:00",""
"7240798","13.74","0.002","17.912","0.003","9.9299","0.0015","90","","108.507","0.016","90","","2317.5","0.7","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N5 Na O9 P2 -","- C14 H26 N5 Na O9 P2 -","- C56 H104 N20 Na4 O36 P8 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.2012","0.0964","","","0.1778","0.2182","","","","","","1.027","","","","has coordinates","258025","2020-10-21","18:00:00",""
"7240799","5.301","0.0002","10.0099","0.0003","15.2097","0.0006","90","","96.882","0.001","90","","801.25","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co N4 O6 -","- C16 H14 Co N4 O6 -","- C32 H28 Co2 N8 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.0284","0.0246","","","0.0642","0.0662","","","","","","0.989","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240800","12.3609","0.0015","9.9856","0.0011","12.3887","0.0014","90","","90","","90","","1529.1","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.1192","0.113","","","0.289","0.2917","","","","","","1.496","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240801","5.305","0.0003","9.988","0.0004","15.082","0.0007","90","","97.362","0.002","90","","792.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 Ni O6 -","- C16 H14 N4 Ni O6 -","- C32 H28 N8 Ni2 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.0254","0.0223","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240802","10.1061","0.0008","9.8617","0.0007","14.7053","0.0008","90","","94.716","0.002","90","","1460.62","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.1269","0.0868","","","0.1254","0.1355","","","","","","1.201","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240803","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","253589","2020-10-21","18:00:00",""
"7240804","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","253589","2020-10-21","18:00:00",""
"7240805","18.9975","0.0009","9.0067","0.0004","10.9126","0.0006","90","","106.275","0.002","90","","1792.38","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl2 N3 O3 -","- C17 H17 Cl2 N3 O3 -","- C68 H68 Cl8 N12 O12 -","4","1","","da Silva, Cecilia; Owoyemi, Bolaji Charles Dayo; Alvarenga-Jr, Benedito R.; Alvarez, Natalia; Ellena, Javier A.; Carneiro, Renato Lajarim","Synthesis and solid-state characterization of diclofenac imidazolium monohydrate: an imidazolium pharmaceutical ionic liquid","CrystEngComm","2020","","","","","10.1039/D0CE00723D","","x-ray","0.71073","MoKα","","0.0739","0.0473","","","0.1183","0.1351","","","","","","1.026","","","","has coordinates,has disorder","253590","2020-10-21","18:00:00",""
"7240806","8.616","0.004","8.888","0.004","17.715","0.008","90","","96.499","0.009","90","","1347.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Co N18 -","- C6 H3 Co N18 -","- C24 H12 Co4 N72 -","4","1","","Wu, Shuo; Li, Min; Yang, Zhengyi; Xia, Zhengqiang; Liu, Bin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Synthesis and characterization of a new energetic metal‒organic framework for use in potential propellant compositions","Green Chemistry","2020","22","15","5050","5058","10.1039/D0GC01594F","","","0.71073","MoKα","","0.1007","0.053","","","0.1249","0.1496","","","","","","0.999","","","","has coordinates","257619","2020-10-21","18:00:00",""
"7240807","11.2054","0.0001","11.2054","0.0001","83.0175","0.0009","90","","90","","90","","10423.8","0.17","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H35 Cl2 N4 O2.5 -","- C22 H35 Cl2 N4 O2.5 -","- C352 H560 Cl32 N64 O40 -","16","2","","Esteve, Ferran; Altava, Belén; Burguete, M. Isabel; Bolte, Michael; García-Verdugo, Eduardo; Luis, Santiago V.","Pseudopeptidic macrocycles as cooperative minimalistic synzyme systems for the remarkable activation and conversion of CO2 in the presence of the chloride anion","Green Chemistry","2020","22","14","4697","4705","10.1039/D0GC01449D","","","1.54184","CuKα","","0.0748","0.07","","","0.1758","0.1783","","","","","","1.108","","","","has coordinates,has disorder","257613","2020-10-21","18:00:00",""
"7240808","6.8488","0.0011","11.665","0.002","15.489","0.002","90","","95.319","0.014","90","","1232.1","0.3","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 F8 O2 -","- C12 H8 F8 O2 -","- C48 H32 F32 O8 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0912","0.0526","","","0.132","0.1383","","","","","","0.84","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240809","17.003","0.003","7.634","0.001","19.904","0.003","90","","98.327","0.013","90","","2556.3","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F8 O S -","- C12 H8 F8 O S -","- C96 H64 F64 O8 S8 -","8","2","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.1661","0.0748","","","0.184","0.244","","","","","","0.951","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240810","13.1069","0.0009","6.8506","0.0006","13.7875","0.0012","90","","90","","90","","1237.98","0.17","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H7 F8 N -","- C13 H7 F8 N -","- C52 H28 F32 N4 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.084","0.0924","","","","","","1.054","","","","has coordinates,has disorder","258027","2020-10-21","18:00:00",""
"7240811","9.7335","0.0007","19.26","0.002","15.5646","0.0018","90","","94.317","0.008","90","","2909.6","0.5","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F8 O2 -","- C14 H12 F8 O2 -","- C112 H96 F64 O16 -","8","2","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.1008","0.0611","","","0.1519","0.1851","","","","","","1.041","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240812","7.6","","17.754","","11.242","","90","","91.42","","90","","1516.42","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Br N2 O3 -","- C18 H11 Br N2 O3 -","- C72 H44 Br4 N8 O12 -","4","1","","Li, Jian; Zhu, Shang-Rong; Xu, Yue; Lu, Xue-Chen; Wang, Zheng-Bing; Liu, Li; Xu, De-feng","Synthesis of 2,5-diaryloxazoles through rhodium-catalyzed annulation of triazoles and aldehydes","RSC Advances","2020","10","42","24795","24799","10.1039/D0RA03966G","","","1.34138","GaKα","","0.0596","0.0552","","","0.1566","0.1622","","","","","","1.084","","","","has coordinates","258026","2020-10-21","18:00:00",""
"7240813","3.7755","0.00019","13.5798","0.0007","28.5543","0.0014","89.503","0.004","88.612","0.004","86.402","0.004","1460.64","0.13","295","1","295","1","","","","","","","","5","P 1","P 1","1","","2-Chloro-4-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","8","","Medviediev, Volodymyr; Shishkina, Svitlana V.; Ribalka, Andrii; Zaręba, Jan Kazimierz; Drozd, Marek; Daszkiewicz, Marek","Revisiting 2-chloro-4-nitroaniline: analysis of intricate supramolecular ordering of a triclinic polymorph featuring high Z value and strong second harmonic generation","CrystEngComm","2020","","","","","10.1039/D0CE00582G","","x-ray","0.71073","MoKα","","0.1238","0.0773","","","0.169","0.1877","","","","","","1.05","","","","has coordinates","253647","2020-10-21","18:00:00",""
"7240814","4.352","0.0008","10.59","0.002","14.532","0.003","90","","98.269","0.002","90","","662.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C28 H20 F8 N4 O4 -","4","1","","Jiang, Xiaolin; Huang, Zijun; Makha, Mohamed; Du, Chen-Xia; Zhao, Dongmei; Wang, Fang; Li, Yuehui","Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide","Green Chemistry","2020","22","16","5317","5324","10.1039/D0GC01741H","","","0.71073","MoKα","","0.0474","0.0407","","","0.1345","0.1444","","","","","","0.999","","","","has coordinates","257602","2020-10-21","18:00:00",""
"7240815","10.004","0.006","4.688","0.003","11.919","0.007","90","","93.2393","0.001","90","","558.1","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C26 H18 Cl4 N2 O2 -","2","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0576","0.0504","","","0.1187","0.1208","","","","","","1.265","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240816","6.14","0.005","6.848","0.006","27.39","0.02","90","","95.26","0.02","90","","1146.8","1.6","93","2","93","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0518","0.0447","","","0.0967","0.1002","","","","","","1.113","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240817","20.427","0.006","4.5728","0.0013","12.101","0.004","90","","92.301","0.005","90","","1129.4","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-5-chlorobenzylidene)-4-chloroaniline","N-(5?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0395","0.0333","","","0.0774","0.083","","","","","","1.072","","","","has coordinates","253704","2020-10-21","18:00:00",""
"7240818","5.1775","0.0007","17.585","0.002","16.534","0.002","90","","95.783","0.002","90","","1497.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dicyclohexylammonium formate hydrate","","","- C13 H29 N O4 -","- C13 H29 N O4 -","- C52 H116 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0693","0.0555","","","0.1317","0.1397","","","","","","1.063","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240819","5.5919","0.001","10.782","0.002","15.271","0.003","93.444","0.003","93.522","0.003","94.507","0.003","914.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dicyclohexylammonium phenylacetate","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C40 H62 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0534","0.0432","","","0.1076","0.1166","","","","","","1.058","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240820","19.216","0.003","8.1118","0.0009","16.8987","0.0019","90","","94.372","0.004","90","","2626.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dicyclohexylammonium formate","","","- C13 H25 N O2 -","- C13 H25 N O2 -","- C104 H200 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0553","0.046","","","0.1201","0.1266","","","","","","1.026","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240821","5.727","0.0007","9.4987","0.0012","10.431","0.0013","95.286","0.002","90.783","0.002","103.644","0.002","548.71","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","dicyclohexylammonium diphenylacetete","","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C26 H35 N O2 -","1","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0464","0.044","","","0.1161","0.1188","","","","","","0.952","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240822","21.61","0.003","8.5291","0.0011","21.825","0.003","90","","90","","90","","4022.6","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","dibutylammonium diphenylacetate","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C176 H248 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.1038","0.0745","","","0.1342","0.1464","","","","","","1.057","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240823","8.557","0.0014","9.8287","0.0016","12.292","0.002","77.147","0.003","75.054","0.003","83.311","0.003","971.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dihexylammonium phenylacetate","","","- C20 H35 N O2 -","- C20 H35 N O2 -","- C40 H70 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0865","0.062","","","0.1324","0.1426","","","","","","1.09","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240824","8.3067","0.0007","16.4097","0.0013","11.4319","0.0009","90","","96.388","0.001","90","","1548.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylammonium diphenylacetate","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0537","0.0463","","","0.1098","0.1147","","","","","","1.032","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240825","9.7066","0.0006","8.1806","0.0004","10.371","0.0006","90","","114.199","0.007","90","","751.15","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H20 Cu N4 O6 -","- C11 H20 Cu N4 O6 -","- C22 H40 Cu2 N8 O12 -","2","1","","Smokrovic, Kristina; Đilović, Ivica; Matkovic-Calogovic, Dubravka","The affinity of copper(II) ions towards L-amino acids in the solid-state: a simple route towards mixed complexes","CrystEngComm","2020","","","","","10.1039/D0CE00687D","","x-ray","0.71073","MoKα","","0.0403","0.0334","","","0.0781","0.0815","","","","","","1.027","","","","has coordinates,has disorder","253706","2020-10-21","18:00:00",""
"7240826","10.5754","0.0005","14.0285","0.0007","14.1291","0.0009","106.091","0.002","98.004","0.002","106.36","0.0017","1878.03","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H53 Au N P S -","- C44 H53 Au N P S -","- C88 H106 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.055","0.034","","","0.0686","0.0737","","","","","","1.04","","","","has coordinates","253764","2020-10-21","18:00:00",""
"7240827","8.7524","0.0004","13.692","0.0006","16.4993","0.0008","114.397","0.0015","90.4473","0.0018","103.778","0.0016","1736.22","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 Au N P S -","- C44 H35 Au N P S -","- C88 H70 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0552","0.0316","","","0.052","0.0575","","","","","","1.015","","","","has coordinates","253764","2020-10-21","18:00:00",""
"7240828","15.0586","0.0005","17.686","0.0007","19.2675","0.0008","90","","90","","90","","5131.4","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.78 H57.57 Au Cl1.57 N3 S -","- C53.784 H57.568 Au Cl1.568 N3 S -","- C215.136 H230.272 Au4 Cl6.272 N12 S4 -","4","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0614","0.0321","","","0.0517","0.0565","","","","","","0.951","","","","has coordinates,has disorder","253764","2020-10-21","18:00:00",""
"7240829","14.5204","0.0011","18.1195","0.0013","26.172","0.0019","90","","104.071","0.001","90","","6679.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H96 Eu6 N22 O42 -","- C114 H84 Eu6 N18 O42 -","- C228 H168 Eu12 N36 O84 -","2","0.5","","Sun, Ou; Chen, Peng; Li, Hongfeng; Gao, Ting; Yan, Pengfei","Wheel-like {Ln6} luminescent lanthanide complexes covering visible and near-infrared domains","CrystEngComm","2020","","","","","10.1039/D0CE00652A","","","0.71073","MoKα","","0.0557","0.0354","","","0.0757","0.0838","","","","","","1.077","","","","has coordinates,has disorder","254043","2020-10-21","18:00:00",""
"7240830","26.836","0.008","16.005","0.004","19.919","0.01","90","","128.163","0.006","90","","6727","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H73 N5 Ni3 O31 -","- C54 H58 N4 Ni3 O24 -","- C216 H232 N16 Ni12 O96 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1003","0.0569","","","0.1347","0.154","","","","","","1.019","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240831","10.0734","0.0003","10.7439","0.0003","13.9706","0.0004","80.34","0.001","79.996","0.001","64.717","0.001","1338.92","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0792","0.0485","","","0.0878","0.1039","","","","","","1.066","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240832","26.833","0.003","16.349","0.0018","20.321","0.002","90","","130.554","0.003","90","","6773.3","1.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H77 N5 O34 Zn3 -","- C54 H58 N4 O24 Zn3 -","- C216 H232 N16 O96 Zn12 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1082","0.0761","","","0.249","0.2794","","","","","","1.048","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240833","13.466","0.0006","13.607","0.0006","13.7158","0.0006","97.812","0.002","103.166","0.002","94.058","0.002","2410.88","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0996","0.0577","","","0.1301","0.1517","","","","","","1.016","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240834","7.2212","0.0002","10.9597","0.0003","13.4202","0.0003","104.412","0.002","99.253","0.002","108.517","0.002","941.58","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 F3 N5 O4 -","- C19 H18 F3 N5 O4 -","- C38 H36 F6 N10 O8 -","2","1","","Junaid, Ahmad; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Design, synthesis, and biological evaluation of new 6,N2-diaryl-1,3,5-triazine-2,4-diamines as anticancer agents selectively targeting triple negative breast cancer cells","RSC Advances","2020","10","43","25517","25528","10.1039/D0RA04970K","","","1.54184","CuKα","","0.0629","0.0591","","","0.1719","0.1764","","","","","","1.049","","","","has coordinates","258019","2020-10-21","18:00:00",""
"7240835","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","254099","2020-10-21","18:00:00",""
"7240836","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","254099","2020-10-21","18:00:00",""
"7240837","21.633","0.015","12.456","0.009","19.74","0.014","90","","105.3","0.015","90","","5131","6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0902","0.0414","","","0.088","0.1093","","","","","","1.012","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240838","21.326","0.003","12.351","0.002","19.529","0.003","90","","105.919","0.003","90","","4946.6","1.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0497","0.0373","","","0.0873","0.0935","","","","","","1.048","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240839","10.3003","0.0011","10.3003","0.0011","10.3003","0.0011","90","","90","","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf K2 O12 P3 Tb -","- Hf K2 O12 P3 Tb -","- Hf4 K8 O48 P12 Tb4 -","4","0.333333","","Zhao, Dan; Zhang, Shi-Rui; Zhang, Rui-Juan; Fan, Yan-Ping; Liu, Bao-Zhong; Shi, Lin-Ying","Energy transfer, multi-colour emission and high thermal stability behaviour of K2Tb1−xEuxHf(PO4)3 with langbeinite-type structure","CrystEngComm","2020","","","","","10.1039/D0CE00322K","","","0.71073","MoKα","","0.0407","0.0345","","","0.0629","0.0658","","","","","","1.056","","","","has coordinates","254166","2020-10-21","18:00:00",""
"7240840","8.6898","0.001","11.1725","0.0011","12.0639","0.0013","76.082","0.004","73.273","0.004","77.314","0.004","1074.4","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F5 N2 O -","- C25 H21 F5 N2 O -","- C50 H42 F10 N4 O2 -","2","1","","Bao, Kun; Wei, Jun; Yan, Huihui; Sheng, Rong","Visible-light promoted three-component tandem reaction to synthesize difluoromethylated oxazolidin-2-imine","RSC Advances","2020","10","43","25947","25951","10.1039/D0RA04729E","","","0.71073","MoKα","","0.0821","0.0663","","","0.1787","0.1915","","","","","","1.073","","","","has coordinates","258018","2020-10-21","18:00:00",""
"7240841","7.1583","0.0014","8.352","0.0017","15.356","0.003","81.1","0.03","82.92","0.03","78.62","0.03","885.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cl2 N3 O6 -","- C17 H15 Cl2 N3 O6 -","- C34 H30 Cl4 N6 O12 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","0.7879","synchrotron","","0.0335","0.0313","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240842","7.7488","0.0003","10.1002","0.0004","13.578","0.0005","79.974","0.003","76.276","0.003","83.821","0.003","1014.12","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,10-phenantroline-4,7-dichloro-2,9-diylbis(pirrolidin-1-yl-methanone)","","- C22 H20 Cl2 N4 O2 -","- C22 H20 Cl2 N4 O2 -","- C44 H40 Cl4 N8 O4 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","1.54186","CuKα","","0.0603","0.0432","","","0.1222","0.1295","","","","","","1.025","","","","has coordinates,has disorder","257978","2020-10-21","18:00:00",""
"7240843","36.3267","0.0015","6.8415","0.0002","22.188","0.0011","90","","122.928","0.003","90","","4628.5","0.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,10-phenantroline-4,7-dichloro-2,9-diylbis(piperidin-1-yl-methanone)","","- C24 H26 Cl2 N4 O3 -","- C24 H24 Cl2 N4 O3 -","- C192 H192 Cl16 N32 O24 -","8","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","1.54186","CuKα","","0.0992","0.0362","","","0.0591","0.0721","","","","","","0.846","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240844","7.241","0.0014","11.68","0.002","14.506","0.003","103.259","0.014","95.03","0.002","97.662","0.018","1174.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Cl2 N4 O2 -","- C30 H20 Cl2 N4 O2 -","- C60 H40 Cl4 N8 O4 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","0.79272","synchrotron","","0.0796","0.0593","","","0.14","0.1531","","","","","","1.021","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240845","16.609","0.005","16.984","0.005","13.707","0.004","90","","110.014","0.005","90","","3633.1","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cu2 N4 O16 -","- C28 H42 Cu2 N4 O16 -","- C112 H168 Cu8 N16 O64 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0865","0.0753","","","0.2505","0.2668","","","","","","1.156","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240846","14.6945","0.0017","17.218","0.002","25.968","0.003","90","","94.777","0.004","90","","6547.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 Cu4 N8 O26 -","- C56 H72 Cu4 N8 O26 -","- C224 H288 Cu16 N32 O104 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0882","0.0481","","","0.1011","0.1142","","","","","","1.042","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240847","9.0471","0.0007","12.6873","0.0009","13.3662","0.0009","89.49","0.003","73.453","0.003","75.303","0.003","1419.24","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","1","0.5","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0445","0.0321","","","0.0821","0.1016","","","","","","1.004","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240848","36.971","0.015","4.3814","0.0015","11.483","0.005","90","","106.352","0.005","90","","1784.8","1.2","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 F6 P S6 -","- C14 H10 F6 P S6 -","- C56 H40 F24 P4 S24 -","4","0.5","","Kadoya, Tomofumi; Sugiura, Shiori; Tahara, Keishiro; Higashino, Toshiki; Kubo, Kazuya; Sasaki, Takahiko; Takimiya, Kazuo; Yamada, Jun-ichi","Two-dimensional radical-cationic Mott insulator based on an electron donor containing neither tetrathiafulvalene nor tetrathiapentalene skeleton","CrystEngComm","2020","","","","","10.1039/D0CE00878H","","","0.71075","MoKα","","0.1112","0.1069","","","0.324","0.3406","","","","","","1.615","","","","has coordinates","254262","2020-10-21","18:00:00",""
"7240849","15.2439","0.0015","11.2793","0.0006","8.4391","0.0007","90","","90.062","0.008","90","","1451","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C76 H52 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.1882","0.0755","","","0.1872","0.2532","","","","","","1.004","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240850","16.8522","0.0014","11.2852","0.001","8.2232","0.0009","90","","91.868","0.009","90","","1563.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H12 Br N O2 -","- C19 H12 Br N O2 -","- C76 H48 Br4 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.2113","0.1325","","","0.3699","0.4225","","","","","","1.229","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240851","17.1059","0.0008","11.3027","0.0005","8.3987","0.0003","90","","91.703","0.004","90","","1623.11","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H12 I N O2 -","- C19 H12 I N O2 -","- C76 H48 I4 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.0967","0.0552","","","0.1244","0.1488","","","","","","1.025","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240852","4.1895","0.0007","11.6796","0.0019","32.919","0.005","90","","90","","90","","1610.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","","0.71073","MoKα","","0.054","0.0447","","","0.1135","0.1191","","","","","","1.067","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240853","12.4338","0.0017","7.7886","0.0011","15.693","0.002","90","","92.992","0.005","90","","1517.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H12 F N O2 -","- C19 H12 F N O2 -","- C76 H48 F4 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","","0.71073","MoKα","","0.0639","0.0476","","","0.1416","0.1542","","","","","","1.212","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240854","6.9084","0.0004","9.133","0.0005","10.977","0.0004","87.642","0.004","83.261","0.004","88.355","0.004","687.02","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.0779","0.0441","","","0.119","0.1395","","","","","","1.028","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240855","7.5565","0.0003","17.8342","0.0007","26.0523","0.001","95.305","0.0016","90.3264","0.0016","97.8043","0.0017","3462.9","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H23 F12 Mn N4 O2 -","- C41 H23 F12 Mn N4 O2 -","- C164 H92 F48 Mn4 N16 O8 -","4","2","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0629","0.0523","","","0.1295","0.1367","","","","","","1.028","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240856","7.609","0.0003","18.3265","0.0007","25.6198","0.001","94.1124","0.0012","90.7528","0.0012","96.7722","0.0012","3537.7","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H24 F14 N4 O2 -","- C41 H24 F14 N4 O2 -","- C164 H96 F56 N16 O8 -","4","2","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0407","0.0361","","","0.091","0.0945","","","","","","1.038","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240857","20.6155","0.0009","7.3748","0.0003","24.8188","0.0011","90","","91.5372","0.0016","90","","3772","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 F12 N6 O -","- C43 H30 F12 N6 O -","- C172 H120 F48 N24 O4 -","4","1","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0491","0.0439","","","0.1161","0.121","","","","","","1.031","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240858","15.9471","0.0007","7.3379","0.0003","29.92","0.0012","90","","104.587","0.0014","90","","3388.3","0.2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 F13 N4 O2 -","- C39 H21 F13 N4 O2 -","- C156 H84 F52 N16 O8 -","4","1","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.056","0.0525","","","0.1404","0.1431","","","","","","1.117","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240859","7.3448","0.0002","15.9784","0.0005","28.5025","0.0009","104.448","0.002","91.342","0.002","93.085","0.002","3232.17","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 F9 N5 O2 -","- C38 H24 F9 N5 O2 -","- C152 H96 F36 N20 O8 -","4","2","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0925","0.0681","","","0.1248","0.1357","","","","","","1.068","","","","has coordinates,has disorder","254271","2020-10-21","18:00:00",""
"7240860","36.02","0.002","7.848","0.0005","27.7092","0.0017","90","","116.811","0.003","90","","6990.9","0.8","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 F12 N5 O -","- C41 H25 F12 N5 O -","- C328 H200 F96 N40 O8 -","8","1","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0497","0.0417","","","0.0967","0.1008","","","","","","1.061","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240861","10.3837","0.0018","11.2946","0.0019","15.743","0.003","88.521","0.003","89.943","0.003","68.863","0.003","1721.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cl N6 O9 S2 -","- C29 H35 Cl N6 O9 S2 -","- C58 H70 Cl2 N12 O18 S4 -","2","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.0909","0.0634","","","0.1434","0.1578","","","","","","1.034","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240862","12.625","0.002","32.16","0.006","9.2409","0.0017","90","","95.599","0.004","90","","3734.1","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl N9 O9 -","- C34 H42 Cl N9 O9 -","- C136 H168 Cl4 N36 O36 -","4","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.1483","0.0946","","","0.1537","0.17","","","","","","1.152","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240863","10.4389","0.0002","21.5791","0.0004","14.669","0.0003","90","","109.581","0.002","90","","3113.27","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 F12 N2 O4 Se2 -","- C26 H18 F12 N2 O4 Se2 -","- C104 H72 F48 N8 O16 Se8 -","4","1","","Lei, Yingjie; Yang, Ju; Wang, Yawen; Wang, Hongying; Zhan, Yue; Jiang, Xianxing; Xu, Zhaoqing","Metal-free fluoroalkylfluoroalkylselenolation of unactivated alkenes: incorporation of two photoinduced processes","Green Chemistry","2020","22","15","4878","4883","10.1039/C9GC03936H","","x-ray","1.54184","CuKα","","0.0685","0.0574","","","0.1539","0.1635","","","","","","1.036","","","","has coordinates","257618","2020-10-21","18:00:00",""
"7240864","7.468","0.0002","15.0583","0.0004","11.4401","0.0003","90","","102.293","0.001","90","","1257","0.06","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA_110K","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.016","0.0149","","","0.05","0.0506","","","","","","1.29","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240865","7.5183","0.0001","15.1179","0.0002","11.7005","0.0002","90","","103.661","0.001","90","","1292.27","0.03","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0225","0.0174","","","0.0501","0.0708","","","","","","1.12","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240866","12.4001","0.0002","32.1958","0.0008","9.1787","0.0002","90","","90","","90","","3664.42","0.13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H6 Cu I N2 S -","- C6 H6 Cu I N2 S -","- C96 H96 Cu16 I16 N32 S16 -","16","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0183","0.0168","","","0.0399","0.0405","","","","","","1.001","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240867","7.4048","0.0003","15.117","0.0004","11.639","0.0005","90","","102.61","0.001","90","","1271.42","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)","","","- C6 H6 Cu I N2 O0.33 S -","- C6 H6 Cu I N2 O0.3333 S -","- C24 H24 Cu4 I4 N8 O1.3332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0756","0.0494","","","0.1741","0.1939","","","","","","1.174","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240868","7.4081","0.0005","14.9049","0.0012","11.2422","0.0008","90","","101.787","0.004","90","","1215.15","0.16","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)_110K","","","- C7.33 H6 Cu I N2 O0.33 S -","- C7.3323 H6 Cu I N2 O0.333 S -","- C29.3292 H24 Cu4 I4 N8 O1.332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0809","0.0515","","","0.1388","0.1548","","","","","","1.077","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240869","7.3155","0.0015","10.622","0.007","10.658","0.005","90","","90","","90","","828.2","0.7","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0371","0.037","","","0.1029","0.103","","","","","","1.104","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240870","8.211","0.0004","11.111","0.0005","15.3198","0.0007","90","","90","","90","","1397.66","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.042","","","","0.053","","","","","","2.1","","","","has coordinates","288642","2024-01-03","13:53:25",""
"7240871","8.1964","0.0003","11.0921","0.0004","15.3137","0.0006","90","","90","","90","","1392.25","0.09","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.041","","","","0.061","","","","","","2.136","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240872","8.2038","0.0004","11.0818","0.0006","15.3787","0.0003","90","","90","","90","","1398.12","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","1.54178","CuKα","","0.042","0.034","","","","0.03","","","","","","1.746","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240873","7.316","0.003","10.616","0.005","10.65","0.003","90","","90","","90","","827.1","0.6","215","2","215","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0579","0.0575","","","0.1345","0.135","","","","","","1.076","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240874","8.19","0.03","11.054","0.002","15.31","0.06","90","","90","","90","","1386","7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.46","synchrotron","","0.034","0.028","","","","0.055","","","","","","2.353","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240875","8.2041","0.001","11.1047","0.0014","15.302","0.002","90","","90","","90","","1394.1","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.066","0.036","","","","0.046","","","","","","1.581","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240876","8.217","0.0004","11.1158","0.0005","15.3418","0.0007","90","","90","","90","","1401.3","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.061","0.042","","","","0.06","","","","","","1.924","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240877","8.2601","0.0014","11.1144","0.0017","15.41","0.003","90","","90","","90","","1414.7","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.065","0.037","","","","0.048","","","","","","1.783","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240878","19.2433","0.0019","6.5415","0.0007","20.661","0.002","90","","108.965","0.006","90","","2459.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-one","","- C27 H36 N2 O0.88 -","- C27 H36 N2 O0.883 -","- C108 H144 N8 O3.532 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0686","0.0491","","","0.1192","0.1327","","","","","","1.109","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240879","8.21","0.004","11.1142","0.0017","15.372","0.004","90","","90","","90","","1402.7","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6358","synchrotron","","0.024","0.023","","","","0.056","","","","","","2.345","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240880","8.174","0.004","11.08","0.006","15.295","0.01","90","","90","","90","","1385.2","1.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.077","0.048","","","","0.084","","","","","","1.372","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240881","8.184","0.009","11.092","0.009","15.296","0.008","90","","90","","90","","1389","2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.056","0.039","","","","0.065","","","","","","1.433","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240882","19.2069","0.001","6.5424","0.0003","20.5081","0.0012","90","","109.174","0.003","90","","2434.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-one","","- C27 H36 N2 O -","- C27 H36 N2 O -","- C108 H144 N8 O4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0615","0.0503","","","0.1148","0.1196","","","","","","1.154","","","","has coordinates","254329","2020-10-21","18:00:00",""
"7240883","7.6784","0.0003","10.7811","0.0004","9.5685","0.0004","90","","97.899","0.002","90","","784.58","0.05","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (2-aminophenyl)carbamate","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0644","0.044","","","0.1169","0.1318","","","","","","1.043","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240884","5.4498","0.0009","9.1487","0.0016","15.499","0.003","90","","98.193","0.003","90","","764.9","0.2","150","2","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(hydroxyimino)naphthalen-2(1H)-one","","- C10 H7 N O2 -","- C10 H7 N O2 -","- C40 H28 N4 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0786","0.0481","","","0.1272","0.1497","","","","","","1.018","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240885","8.1552","0.0006","10.3206","0.0008","14.38","0.0012","90","","90","","90","","1210.32","0.16","105","2","104.71","","","","","","","","","4","P b c a","-P 2ac 2ab","61","trans-o,o'-azodioxytoluene","1, 2-bis(2mehtylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0896","0.0497","","","0.1099","0.1302","","","","","","1.026","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240886","15.176","0.0013","10.4211","0.0006","15.5264","0.0012","90","","90","0.007","90","","2455.5","0.3","100","2","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cis-o,o'-azodioxytoluene","Z-1, 2-bis(2-methylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.126","0.0522","","","0.098","0.1121","","","","","","0.826","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240887","7.0409","0.0007","7.1841","0.0008","7.186","0.0009","61.943","0.007","65.01","0.007","64.427","0.007","278.14","0.06","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","1","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0829","0.0656","","","0.1965","0.212","","","","","","1.059","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240888","5.6472","0.0008","14.1772","0.0019","14.269","0.0018","93.043","0.008","92.475","0.008","93.34","0.008","1137.6","0.3","100","2","100.11","","","","","","","","","4","P -1","-P 1","2","","N-(2-nitrosophenyl)pivalamide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","2","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.1361","0.0571","","","0.1116","0.1386","","","","","","1.002","","","","has coordinates,has disorder","254370","2020-10-21","18:00:00",""
"7240889","8.23301","0.00006","13.02347","0.00014","13.57687","0.00016","98.1817","0.0009","92.5946","0.0008","103.539","0.0008","1396.21","0.03","173","0.1","173","0.1","","","","","","","synthesis","5","P -1","-P 1","2","31","5-((4-((1s,4s)-4-(3-(trifluoromethyl)phenyl)cyclohexyl)piperazin-1-yl)methyl)pyridin-2(1H)-one","","- C27 H30 F9 N3 O5 -","- C27 H30 F9 N3 O5 -","- C54 H60 F18 N6 O10 -","2","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0544","0.0516","","","0.1368","0.1392","","","","","","1.056","","","","has coordinates,has disorder","254380","2020-10-21","18:00:00",""
"7240890","17.4137","0.0001","8.1451","0.0001","33.6364","0.0002","90","","90.413","0.001","90","","4770.74","0.07","173.01","0.1","173.01","0.1","","","","","","","synthesis","5","I 1 2/a 1","-I 2ya","15","19","5-(4-((1s,4s)-4-(tert-butyl)cyclohexyl)piperazine-1-carbonyl)pyridin-2(1H)-one","","- C22 H35.31 F3 N3 O5.65 -","- C22 H35.306 F3 N3 O5.653 -","- C176 H282.448 F24 N24 O45.224 -","8","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.095","0.0974","","","","","","1.049","","","","has coordinates,has disorder","254380","2020-10-21","18:00:00",""
"7240891","7.2232","0.0003","8.9059","0.0004","15.2815","0.0006","96.464","0.003","95.779","0.003","99.987","0.004","954.71","0.07","173","0.1","173","0.1","","","","","","","Synthesis","3","P -1","-P 1","2","cis-22a","1-(pyridin-3-yl)-4-((1s,4s)-4-(m-tolyl)cyclohexyl)piperazine","","- C22 H29 N3 -","- C22 H29 N3 -","- C44 H58 N6 -","2","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","0.71073","MoKα","","0.0656","0.0504","","","0.1229","0.1388","","","","","","1.041","","","","has coordinates","254380","2020-10-21","18:00:00",""
"7240892","15.6425","0.0003","12.7231","0.0002","16.3931","0.0003","90","","106.097","0.002","90","","3134.66","0.1","172.98","0.1","172.98","0.1","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","40","5-((4-((1r,4r)-4-hydroxy-4-(2-(trifluoromethyl)phenyl)cyclohexyl)piperazin-1-yl)methyl)pyridin-2(1H)-one","","- C29 H39 F6 N3 O5 -","- C29 H39 F6 N3 O5 -","- C116 H156 F24 N12 O20 -","4","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0897","0.0759","","","0.2374","0.2551","","","","","","1.051","","","","has coordinates","254380","2020-10-21","18:00:00",""
"7240893","12.1802","0.0001","16.4503","0.0001","14.0829","0.0001","90","","93.256","0.001","90","","2817.21","0.04","173","0.1","173","0.1","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","9","2-methoxy-4-((4-((1s,4s)-4-phenylcyclohexyl)piperazin-1-yl)methyl)phenol","","- C28 H34 F6 N2 O6 -","- C28 H34 F6 N2 O6 -","- C112 H136 F24 N8 O24 -","4","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0448","0.0424","","","0.1173","0.1192","","","","","","1.044","","","","has coordinates,has disorder","254380","2020-10-21","18:00:00",""
"7240894","7.361","0.0012","16.841","0.001","19.166","0.0015","90","","90","","90","","2375.9","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl2 N7 O P2 Ru -","- C18 H29 Cl2 N7 O P2 Ru -","- C72 H116 Cl8 N28 O4 P8 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0378","0.0376","","","0.1114","0.1115","","","","","","1.034","","","","has coordinates,has disorder","258128","2020-10-21","18:00:00",""
"7240895","6.799","0.01","21.768","0.005","13.521","0.003","90","","94.767","0.019","90","","1994","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 N5 O2 P Ru -","- C17 H22 Cl2 N5 O2 P Ru -","- C68 H88 Cl8 N20 O8 P4 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0279","0.0278","","","0.0805","0.0807","","","","","","1.007","","","","has coordinates","258128","2020-10-21","18:00:00",""
"7240896","12.784","0.005","13.566","0.0012","23.229","0.003","90","","103.121","0.005","90","","3923.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H58 Cl2 N11 O8 P3 Ru -","- C29 H58 Cl2 N11 O8 P3 Ru -","- C116 H232 Cl8 N44 O32 P12 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0243","0.0242","","","0.0701","0.0702","","","","","","0.967","","","","has coordinates","258128","2020-10-21","18:00:00",""
"7240897","7.679","0.004","24.128","0.011","9.496","0.004","90","","113.85","","90","","1609.2","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.1155","0.071","","","0.1618","0.1783","","","","","","0.964","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240898","14.8116","0.0008","8.7686","0.0004","14.8164","0.0007","90","","90","","90","","1924.31","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.0829","0.0477","","","0.1149","0.1428","","","","","","0.845","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240899","8.4111","0.0009","10.3053","0.0011","11.1643","0.0012","67.827","0.002","85.4","0.003","79.241","0.003","880.34","0.16","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","1","0.5","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0671","0.0654","","","0.2656","0.2666","","","","","","1.094","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240900","14.8016","0.0014","15.8098","0.0016","16.8878","0.0014","90","","111.541","0.005","90","","3675.9","0.6","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 F6 K O5 P -","- C13 H21 F6 K O5 P -","- C104 H168 F48 K8 O40 P8 -","8","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0971","0.0623","","","0.1662","0.1877","","","","","","1.075","","","","has coordinates,has disorder","254422","2020-10-21","18:00:00",""
"7240901","9.6204","0.0004","23.8722","0.0011","9.3051","0.0004","90","","117.294","0.002","90","","1899.09","0.15","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl0.5 Cs0.5 O5 -","- C13 H21 Cl0.5 Cs0.5 O5 -","- C52 H84 Cl2 Cs2 O20 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0877","0.0725","","","0.2103","0.2211","","","","","","1.072","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240902","10.0468","0.0003","7.6582","0.0002","9.6509","0.0002","90","","117.188","0.003","90","","660.5","0.03","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O4 -","- C12 H12 Br2 O4 -","- C24 H24 Br4 O8 -","2","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.0396","0.0323","","","0.0744","0.0794","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240903","10.62","0.002","8.42","0.0017","17.35","0.004","90","","107.64","0.03","90","","1478.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 O5 Zn -","- C18 H10 N2 O5 Zn -","- C72 H40 N8 O20 Zn4 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","synchrotron","","0.0897","0.0545","","","0.1228","0.1394","","","","","","1.013","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240904","9.424","0.0019","9.502","0.0019","20.94","0.004","90","","90","","90","","1875.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","Synchrotron","","0.0439","0.0429","","","0.1121","0.1128","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240905","10.4109","0.0006","11.1279","0.0007","12.1125","0.001","101.58","0.007","98.222","0.006","117.146","0.006","1178.13","0.17","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","1","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.1085","0.0947","","","0.1949","0.2013","","","","","","1.268","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240906","18.731","0.008","16.579","0.007","21.872","0.01","90","","100.786","0.006","90","","6672","5","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H76 O15 Ti4 -","- C71 H75.9999 O15 Ti4 -","- C284 H304 O60 Ti16 -","4","1","","Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian","Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction","Green Chemistry","2020","22","16","5325","5332","10.1039/D0GC01497D","","","0.71073","MoKα","","0.1416","0.0677","","","0.1446","0.1765","","","","","","1.028","","","","has coordinates,has disorder","257601","2020-10-21","18:00:00",""
"7240907","24.63","0.03","19.1","0.03","14.9","0.02","90","","90","","90","","7009","17","296.15","","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C68 H76 O24 Ti7 -","- C68 H76 O24 Ti7 -","- C272 H304 O96 Ti28 -","4","0.5","","Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian","Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction","Green Chemistry","2020","22","16","5325","5332","10.1039/D0GC01497D","","","0.71073","MoKα","","0.1629","0.0852","","","0.169","0.2079","","","","","","1.122","","","","has coordinates,has disorder","257601","2020-10-21","18:00:00",""
"7240908","9.3908","0.0003","10.6494","0.0004","10.7328","0.0003","99.224","0.003","111.029","0.003","91.986","0.003","983.95","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl4 N4 Zn -","- C16 H18 Cl4 N4 Zn -","- C32 H36 Cl8 N8 Zn2 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.049","0.0375","","","0.0984","0.1062","","","","","","1.046","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240909","8.3872","0.0005","14.4806","0.0007","13.0923","0.0009","90","","102.917","0.002","90","","1549.84","0.16","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H15 Cl2 N3 O2 Pd -","- C13 H15 Cl2 N3 O2 Pd -","- C52 H60 Cl8 N12 O8 Pd4 -","4","0.5","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.0398","0.0284","","","0.0577","0.0626","","","","","","1.114","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240910","43.5467","0.0012","24.859","0.0007","4.3222","0.0001","90","","90","","90","","4678.9","0.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H9 Cl3 N2 Pb -","- C8 H9 Cl3 N2 Pb -","- C128 H144 Cl48 N32 Pb16 -","16","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.026","0.0204","","","0.0304","0.0318","","","","","","0.875","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240911","5.3119","0.0003","14.3087","0.0006","15.0594","0.0009","90","","90.017","0.005","90","","1144.61","0.11","248.56","0.1","248.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0529","0.0376","","","0.0655","0.0703","","","","","","1.045","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240912","4.303","0.0012","14.824","0.005","25.84","0.008","90","","90","","90","","1648.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Hg I3 N2 O -","- C12 H9 Hg I3 N2 O -","- C48 H36 Hg4 I12 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0666","0.042","","","0.0778","0.0872","","","","","","1.042","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240913","14.2615","0.0006","8.9996","0.0003","29.6078","0.0013","90","","90","","90","","3800.1","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H28 I2 N4 O6 Zn -","- C38 H28 I2 N4 O6 Zn -","- C152 H112 I8 N16 O24 Zn4 -","4","0.5","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.71073","MoKα","","0.0382","0.0315","","","0.0726","0.0764","","","","","","1.024","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240914","9.3872","0.0005","11.4744","0.0004","13.2529","0.0006","107.591","0.004","110.075","0.005","94.437","0.004","1251.66","0.12","291.88","0.1","291.88","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag I2 N5 O5 -","- C24 H18 Ag I2 N5 O5 -","- C48 H36 Ag2 I4 N10 O10 -","2","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0336","0.0295","","","0.0638","0.0677","","","","","","1.033","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240915","9.7184","0.0002","27.7576","0.0006","9.8707","0.0002","90","","91.04","0.002","90","","2662.28","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br2 I2 N4 O2 Zn -","- C24 H18 Br2 I2 N4 O2 Zn -","- C96 H72 Br8 I8 N16 O8 Zn4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","1.5418","CuKα","","0.0521","0.05","","","0.1287","0.1304","","","","","","1.071","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240916","9.1551","0.0002","11.365","0.0002","18.1448","0.0004","90","","94.124","0.001","90","","1883.04","0.07","124","2","124.58","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-benzyl-N-(3-oxo-1,3-diphenylprop-1-en-1-yl)acetamide","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0497","0.0385","","","0.089","0.0961","","","","","","1.07","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240917","14.3957","0.0007","9.8622","0.0005","14.7627","0.0007","90","","100.8","0.002","90","","2058.78","0.18","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0478","0.0439","","","0.1192","0.1234","","","","","","1.044","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240918","10.6923","0.0001","11.1552","0.0002","15.2475","0.0002","90","","97.358","0.001","90","","1803.67","0.04","170","2","170.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-benzoyl-3-phenylisoquinolin-2(1H)-yl)ethan-1-one","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0454","0.0371","","","0.0872","0.0933","","","","","","1.039","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240919","12.9186","0.0012","11.6675","0.001","13.3986","0.0012","90","","109.007","0.004","90","","1909.4","0.3","185","2","185.32","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.1023","0.0778","","","0.2161","0.2502","","","","","","1.074","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240920","14.5135","0.0006","11.7884","0.0004","18.8103","0.0007","90","","108.09","0.002","90","","3059.2","0.2","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","2","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.097","0.0731","","","0.1901","0.2147","","","","","","1.031","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240921","6.45","0.005","6.733","0.007","10.676","0.007","84.312","0.014","78.116","0.014","68.519","0.014","422","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 N6 Na O5 -","- C2 H8 N6 Na O5 -","- C4 H16 N12 Na2 O10 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.1132","0.0752","","","0.1961","0.2183","","","","","","0.979","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240922","3.752","0.002","7.27","0.004","12.06","0.007","106.15","0.009","90.023","0.01","98.389","0.008","312.3","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 N6 Na O3 -","- C2 H4 N6 Na O3 -","- C4 H8 N12 Na2 O6 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.0727","0.0517","","","0.1178","0.1301","","","","","","1.034","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240923","10.7235","0.001","10.3296","0.0009","19.0512","0.0016","90","","102.018","0.003","90","","2064","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Fe N6 O4 -","- C20 H23 Fe N6 O4 -","- C80 H92 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0531","0.0373","","","0.093","0.1049","","","","","","1.084","","","","has coordinates","254492","2020-10-21","18:00:00",""
"7240924","11.572","0.012","14.317","0.014","15.366","0.016","90","","112","0.03","90","","2360","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Fe N6 O4 -","- C22 H27 Fe N6 O4 -","- C88 H108 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0382","0.0324","","","0.097","0.1077","","","","","","1.108","","","","has coordinates,has disorder","254492","2020-10-21","18:00:00",""
"7240925","8.908","0.002","14.714","0.004","15.163","0.006","90","","97.85","0.03","90","","1968.8","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43.48 N4 O18.74 S2 U2 -","- C24 H42 N4 O18.74 S2 U2 -","- C48 H84 N8 O37.48 S4 U4 -","2","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0353","0.0285","","","0.0678","0.0711","","","","","","1.044","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240926","5.6982","0.0004","6.3203","0.0005","11.4318","0.0008","90.47","0.006","93.651","0.005","99.991","0.006","404.56","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","1","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0452","0.0349","","","0.0884","0.0925","","","","","","1.032","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240927","8.3086","0.0004","27.7798","0.0016","15.6569","0.0007","90","","104.734","0.003","90","","3495","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 N4 S2 -","- C14 H18 Cl2 N4 S2 -","- C112 H144 Cl16 N32 S16 -","8","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.1188","0.067","","","0.1438","0.1703","","","","","","1.039","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240928","9.294","0.0002","13.8446","0.0004","16.1184","0.0004","90","","93.793","0.002","90","","2069.44","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C64 H104 N16 O16 S8 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0847","0.0894","","","","","","1.062","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240929","12.442","0.006","7.5206","0.0015","29.72","0.01","90","","96.79","0.03","90","","2761.4","1.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl N4 O8 S2 U -","- C20 H27 Cl N4 O8 S2 U -","- C80 H108 Cl4 N16 O32 S8 U4 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0485","0.0464","","","0.1172","0.1185","","","","","","1.175","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240930","5.7358","0.0002","7.1947","0.0002","13.6224","0.0004","102.176","0.002","92.789","0.002","108.166","0.003","518.15","0.03","299.57","0.1","299.57","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O7 -","- C10 H10 O7 -","- C20 H20 O14 -","2","1","","Yang, Jinyue; Wang, Na; Tian, Beiqian; Ji, Xiongtao; Hou, Baohong; Wang, Ting; Huang, Xin; Su, Junquan; Yang, Zhanao; Hao, Hongxun","Multicomponent supramolecular assembly of p-hydroxybenzoic acid and malonic acid: a deep insight into the formation of selective cocrystal","CrystEngComm","2020","","","","","10.1039/D0CE00833H","","x-ray","0.71073","MoKα","","0.0797","0.0476","","","0.1101","0.1338","","","","","","1.021","","","","has coordinates","254494","2020-10-21","18:00:00",""
"7240931","17.212","0.003","17.212","0.003","17.168","0.0018","90","","90","","90","","5086.1","1.4","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","wuf-30","","","- C48 H30 O16 Zn4 -","- C48 H29.5 O16 Zn4 -","- C96 H59 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","x-ray","1.54178","CuKα","","0.1844","0.1781","","","0.4773","0.4859","","","","","","1.925","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240932","17.1805","0.0003","17.1805","0.0003","17.1173","0.0006","90","","90","","90","","5052.5","0.2","292","","292","","","","","","","","","4","P -4 21 m","P -4 2ab","113","WUF-31","","","- C48 H36 O16 Zn4 -","- C47.5 H35.5 O16 Zn4 -","- C95 H71 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","","1.54178","CuKα","","0.0835","0.0741","","","0.2323","0.2433","","","","","","1.166","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240933","8.1544","0.0002","16.2063","0.0003","17.1591","0.0004","90","","98.034","0.002","90","","2245.36","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N4 O6 -","- C24 H22 Co N4 O6 -","- C96 H88 Co4 N16 O24 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0595","0.0439","","","0.1069","0.1162","","","","","","1.036","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240934","8.2964","0.0005","17.7264","0.0011","16.8112","0.001","90","","98.546","0.002","90","","2444.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H24 N4 O7 Zn -","- C96 H96 N16 O28 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.1293","0.1147","","","0.1962","0.2009","","","","","","1.393","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240935","8.3011","0.0006","17.7049","0.0014","16.8818","0.0014","90","","99.892","0.002","90","","2444.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Co N4 O7 -","- C24 H24 Co N4 O7 -","- C96 H96 Co4 N16 O28 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.122","0.0938","","","0.1802","0.1896","","","","","","1.229","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240936","8.1281","0.0005","16.1955","0.0012","17.1781","0.0013","90","","96.562","0.002","90","","2246.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0605","0.0499","","","0.1134","0.1183","","","","","","1.123","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240937","8.97809","0.00014","8.97809","0.00014","6.4585","0.0003","90","","90","","90","","520.59","0.03","293","","293","","","","101","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0597","0.0556","","0.0885","0.0885","0.0885","","","","","","1.1324","","","","has coordinates","258985","2020-11-06","13:19:11",""
"7240938","8.7712","0.0008","8.7712","0.0008","6.2436","0.0009","90","","90","","90","","480.34","0.09","293","","293","","","","1960000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0945","0.089","","0.2338","0.2159","0.2239","","","","","","0.9959","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240939","8.9435","0.0005","8.9435","0.0005","6.4253","0.0007","90","","90","","90","","513.94","0.07","293","","293","","","","375000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0403","0.0394","","0.0976","0.0968","0.0867","","","","","","0.9719","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240940","8.7949","0.0006","8.7949","0.0006","6.273","0.0008","90","","90","","90","","485.22","0.08","293","","293","","","","1650000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1056","0.1014","","0.2524","0.2364","0.2382","","","","","","1.0329","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240941","8.7425","0.0007","8.7425","0.0007","6.2161","0.0008","90","","90","","90","","475.1","0.08","293","","293","","","","2280000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1009","0.095","","0.2556","0.2345","0.2414","","","","","","0.986","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240942","8.8591","0.0006","8.8591","0.0006","6.3339","0.0008","90","","90","","90","","497.11","0.08","293","","293","","","","1060000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1277","0.1252","","0.3119","0.3035","0.2508","","","","","","1.0903","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240943","8.8963","0.0004","8.8963","0.0004","6.3753","0.0006","90","","90","","90","","504.57","0.06","293","","293","","","","740000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1136","0.1106","","0.2741","0.2657","0.2321","","","","","","0.9962","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240944","8.722","0.0011","8.722","0.0011","6.1933","0.0011","90","","90","","90","","471.14","0.12","293","","293","","","","2710000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0937","0.0871","","0.2254","0.208","0.2165","","","","","","1.0377","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240945","8.6076","0.0014","8.6076","0.0014","6.0602","0.0017","90","","90","","90","","449","0.16","293","","293","","","","4620000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0974","0.0861","","0.2746","0.2412","0.2746","","","","","","1.1104","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240946","8.6538","0.001","8.6538","0.001","6.122","0.0012","90","","90","","90","","458.47","0.12","293","","293","","","","3730000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1185","0.1095","","0.2961","0.2683","0.2895","","","","","","1.2444","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240947","10.3266","0.0008","10.3266","0.0008","6.4805","0.001","90","","90","","90","","691.07","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0919","0.0564","","0.3066","0.1675","0.1815","","","","","","0.8304","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240948","10.3078","0.0008","10.3078","0.0008","6.4712","0.001","90","","90","","90","","687.57","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0724","0.05","","0.2647","0.2053","0.1305","","","","","","0.9742","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240949","10.35151","0.00012","10.35151","0.00012","6.4977","0.0002","90","","90","","90","","696.25","0.02","293","","293","","","","101","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0578","0.0501","","0.1428","0.1243","0.1428","","","","","","0.9642","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240950","10.1452","0.0013","10.1452","0.0013","6.3581","0.0011","90","","90","","90","","654.41","0.16","293","","293","","","","1230000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0614","0.046","","0.1972","0.1856","0.1295","","","","","","1.0129","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240951","10.0908","0.0014","10.0908","0.0014","6.3306","0.0017","90","","90","","90","","644.6","0.2","293","","293","","","","1610000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0756","0.0573","","0.231","0.2185","0.1481","","","","","","0.9901","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240952","10.056","0.002","10.056","0.002","6.32","0.003","90","","90","","90","","639.1","0.4","293","","293","","","","1920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0847","0.0517","","0.2131","0.1301","0.1517","","","","","","0.9801","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240953","10.1964","0.0007","10.1964","0.0007","6.3876","0.0009","90","","90","","90","","664.1","0.11","293","","293","","","","920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.046","0.0317","","0.0971","0.0836","0.0971","","","","","","1.0234","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240954","10.2482","0.0007","10.2482","0.0007","6.4309","0.0009","90","","90","","90","","675.41","0.11","293","","293","","","","580000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.078","0.0574","","0.243","0.1735","0.202","","","","","","0.9624","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240955","10.1647","0.0003","37.679","0.0009","10.9281","0.0003","90","","91.586","0.002","90","","4183.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 F9 N2 O6 Yb -","- C43 H28 F9 N2 O6 Yb -","- C172 H112 F36 N8 O24 Yb4 -","4","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","1.54184","CuKα","","0.0676","0.06","","","0.1247","0.129","","","","","","1.146","","","","has coordinates","258067","2020-10-21","18:00:00",""
"7240956","21.3482","0.0003","10.96337","0.00012","18.2233","0.0002","90","","90","","90","","4265.13","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Yb -","- C44 H26 F9 N4 O6 Yb -","- C176 H104 F36 N16 O24 Yb4 -","4","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","1.54184","CuKα","","0.0332","0.0329","","","0.0925","0.093","","","","","","1.051","","","","has coordinates","258067","2020-10-21","18:00:00",""
"7240957","21.078","0.0003","18.3155","0.0002","21.2034","0.0002","90","","90","","90","","8185.66","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H20 Er F9 N4 O6 S3 -","- C38 H20 Er F9 N4 O6 S3 -","- C304 H160 Er8 F72 N32 O48 S24 -","8","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","0.71073","MoKα","","0.0593","0.0404","","","0.1026","0.1191","","","","","","1.034","","","","has coordinates,has disorder","258067","2020-10-21","18:00:00",""
"7240958","28.454","0.002","4.9978","0.0005","9.7968","0.0012","90","","90.999","0.009","90","","1393","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","trans-(μ-D-leucinato)(μ-L-leucinato)copper(ii)","","- C12 H24 Cu N2 O4 -","- C12 H24 Cu N2 O4 -","- C48 H96 Cu4 N8 O16 -","4","1","","Vušak, Darko; Pejić, Jelena; Jurković, Mia; Szalontai, Gábor; Sabolovic, Jasmina","Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformations","CrystEngComm","2020","","","","","10.1039/D0CE00585A","","","0.7","synchrotron","","0.1216","0.0723","","","0.1641","0.1934","","","","","","1.002","","","","has coordinates","254612","2020-10-21","18:00:00",""
"7240959","24.0615","0.0008","14.0088","0.0008","10.0527","0.0005","90","","100.996","0.004","90","","3326.3","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cl Fe N6 O4 Se2 -","- C26 H36 Cl Fe N6 O4 Se2 -","- C104 H144 Cl4 Fe4 N24 O16 Se8 -","4","0.5","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.0767","0.0651","","","0.2095","0.2214","","","","","","1.156","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240960","9.866","0.009","10.754","0.009","13.6","0.012","96.95","0.02","108.18","0.02","109.27","0.02","1253.1","1.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl Fe N4 O6 -","- C24 H34 Cl Fe N4 O6 -","- C48 H68 Cl2 Fe2 N8 O12 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.1737","0.1045","","","0.2757","0.3419","","","","","","1.025","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240961","19.3334","0.001","25.6921","0.0012","15.8595","0.0013","90","","123.08","0.002","90","","6600.8","0.7","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C51.5 H67.5 Cu4 N6.5 O27.5 -","- C41 H41 Cu4 N3 O23 -","- C164 H164 Cu16 N12 O92 -","4","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.0524","0.0482","","","0.203","0.2133","","","","","","1.077","","","","has coordinates","254637","2020-10-21","18:00:00",""
"7240962","26.5456","0.0016","44.633","0.003","26.5717","0.0016","90","","90","","90","","31482","3","150","2","150","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C108 H147 Cl2 Cu10 N11 O56 -","- C64 H24 Cl0.75 Cu10 O44 -","- C512 H192 Cl6 Cu80 O352 -","8","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.1389","0.066","","","0.1571","0.1891","","","","","","1.096","","","","has coordinates,has disorder","254637","2020-10-21","18:00:00",""
"7240963","12.0991","0.0002","12.9247","0.0002","10.4969","0.0002","90","","100.474","0.0007","90","","1614.13","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 N2 O2 S -","- C15 H13 F3 N2 O2 S -","- C60 H52 F12 N8 O8 S4 -","4","1","","Nadiveedhi, Maheshwara Reddy; Cirandur, Suresh Reddy; Akondi, Srirama Murthy","Visible-light-promoted photocatalyst- and additive-free intermolecular trifluoromethyl-thio(seleno)cyanation of alkenes","Green Chemistry","2020","22","17","5589","5593","10.1039/D0GC01726D","","","0.71073","MoKα","","0.0924","0.0619","","","0.157","0.1791","","","","","","1.054","","","","has coordinates","257591","2020-10-21","18:00:00",""
"7240964","7.0148","0.0014","17.582","0.004","14.402","0.003","90","","90","","90","","1776.3","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C80 H72 N8 O12 S4 -","4","1","","Bhattacharjee, Suvam; Laru, Sudip; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda","Visible light-induced photocatalytic C‒H ethoxycarbonylmethylation of imidazoheterocycles with ethyl diazoacetate","RSC Advances","2020","10","47","27984","27988","10.1039/D0RA05795A","","","0.71073","MoKα","","0.0627","0.0416","","","0.1147","0.1402","","","","","","0.856","","","","has coordinates","258073","2020-10-21","18:00:00",""
"7240965","10.759","0.002","19.33","0.004","12.307","0.003","90","","100.26","0.03","90","","2518.6","1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C58 H74 Mg4 N6 O26 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.1944","0.1072","","","0.3159","0.3707","","","","","","1.064","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240966","22.642","0.003","9.7853","0.0012","6.8909","0.0008","90","","90","","90","","1526.7","0.3","296","2","296","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C13 H13 Ca N O5 S2 -","- C13 H13 Ca N O5 S2 -","- C52 H52 Ca4 N4 O20 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0412","0.0393","","","0.107","0.1092","","","","","","1.115","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240967","7.3261","0.0015","22.72","0.005","9.936","0.002","90","","90","","90","","1653.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 S2 Sr -","- C13 H13 N O5 S2 Sr -","- C52 H52 N4 O20 S8 Sr4 -","4","0.5","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0742","0.066","","","0.1625","0.1679","","","","","","1.243","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240968","7.1656","0.0003","10.9705","0.0004","17.5843","0.0006","90","","90","","90","","1382.31","0.09","120.01","0.1","120.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0464","0.0388","","","0.0943","0.1001","","","","","","1.04","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240969","19.7893","0.0009","3.7682","0.0001","19.7322","0.0008","90","","114.594","0.005","90","","1337.94","0.1","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0493","0.0418","","","0.1115","0.1196","","","","","","1.03","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240970","10.1657","0.0003","21.3974","0.0008","14.5383","0.0006","90","","100.455","0.004","90","","3109.9","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cd N5 O9 -","- C20 H15 Cd N5 O9 -","- C80 H60 Cd4 N20 O36 -","4","1","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.1233","0.0771","","","0.2336","0.2725","","","","","","1.025","","","","has coordinates,has disorder","254719","2020-10-21","18:00:00",""
"7240971","7.0491","0.0002","19.8236","0.0005","8.8113","0.0002","90","","107.547","0.003","90","","1173.99","0.06","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 Cd N5 O7 -","- C20 H25 Cd N5 O7 -","- C40 H50 Cd2 N10 O14 -","2","0.5","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.0277","0.0261","","","0.0694","0.0703","","","","","","1.091","","","","has coordinates","254719","2020-10-21","18:00:00",""
"7240972","6.8892","0.0002","13.9675","0.0003","24.3771","0.0006","90","","93.534","0.001","90","","2341.22","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0561","0.0401","","","0.1026","0.1112","","","","","","1.043","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240973","7.0834","0.0005","12.8271","0.0009","13.8555","0.0009","77.196","0.002","85.946","0.002","81.281","0.002","1212.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C52 H38 N10 O16 -","2","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0555","0.0445","","","0.1079","0.1144","","","","","","1.014","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240974","7.8923","0.0011","18.908","0.003","15.969","0.002","90","","95.838","0.005","90","","2370.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0419","0.0377","","","0.0984","0.1022","","","","","","1.019","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240975","8.4001","0.0004","27.6987","0.0014","7.49","0.0004","90","","99.621","0.002","90","","1718.2","0.15","283","2","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 -","- C23 H15 N3 -","- C92 H60 N12 -","4","1","","Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli.","Physical chemistry chemical physics : PCCP","2020","22","34","19195","19201","10.1039/d0cp02783a","","","0.71073","MoKα","","0.0851","0.05","","","0.124","0.158","","","","","","1.065","","","","has coordinates","258989","2020-11-06","13:20:14",""
"7240976","7.7136","0.0004","8.6961","0.0005","9.1169","0.0005","68.073","0.005","79.306","0.004","64.143","0.005","510.32","0.06","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O7 -","- C10 H12 O7 -","- C20 H24 O14 -","2","1","","Yan, Zhangyuan; Li, Jialin; Ye, Geting; Chen, Tao; Li, Meimei; Liang, Yanmin; Long, Yuhua","Fused multicyclic polyketides with a two-spiro-carbon skeleton from mangrove-derived endophytic fungus Epicoccum nigrum SCNU-F0002","RSC Advances","2020","10","48","28560","28566","10.1039/D0RA05532H","","x-ray","1.54184","CuKα","","0.0483","0.0463","","","0.1338","0.1371","","","","","","1.037","","","","has coordinates","258082","2020-10-21","18:00:00",""
"7240977","11.6926","0.0009","8.1121","0.0007","14.1796","0.001","90","","90","","90","","1344.96","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-amino-3-hydroxybenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0808","0.0495","","","0.1292","0.1562","","","","","","0.928","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240978","9.7014","0.0012","14.9141","0.0012","6.9582","0.0009","90","","109.984","0.014","90","","946.1","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-5-chloro-2-ethoxybenzoic acid","","- C9 H10 Cl N O3 -","- C9 H10 Cl N O3 -","- C36 H40 Cl4 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.1111","0.0634","","","0.1487","0.19","","","","","","0.958","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240979","6.5218","0.001","17.636","0.002","10.0639","0.0014","90","","107.754","0.014","90","","1102.4","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","4-amino-2,3,5,6-tetrafluorobenzoic acid acetone solvate","","- C10 H9 F4 N O3 -","- C10 H9 F4 N O3 -","- C40 H36 F16 N4 O12 -","4","0.5","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.091","0.0672","","","0.1822","0.203","","","","","","1.103","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7240980","7.278","0.0006","7.533","0.0007","16.2004","0.0011","94.713","0.006","91.34","0.006","106.926","0.007","845.8","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-amino-5-chloro-2-methoxybenzoic acid","","- C8 H8 Cl N O3 -","- C8 H8 Cl N O3 -","- C32 H32 Cl4 N4 O12 -","4","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0969","0.0559","","","0.1405","0.1794","","","","","","0.935","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240981","3.7229","0.0003","11.1634","0.0008","16.9454","0.0011","90","","95.218","0.007","90","","701.34","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3-chlorobenzoic acid","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0607","0.0427","","","0.0912","0.1027","","","","","","1.059","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240982","8.1846","0.0007","13.5952","0.001","7.2087","0.0006","90","","109.909","0.01","90","","754.18","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2-methoxybenzoic acid","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0909","0.0532","","","0.1132","0.1382","","","","","","1.03","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240983","14.7711","0.0008","3.7877","0.0002","24.3334","0.0012","90","","107.378","0.004","90","","1299.28","0.12","150","0.1","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2-fluorobenzoic acid","","- C7 H6 F N O2 -","- C7 H6 F N O2 -","- C56 H48 F8 N8 O16 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","0.71073","MoKα","","0.0409","0.0366","","","0.106","0.1098","","","","","","1.081","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240984","22.4397","0.0009","20.5326","0.0007","11.9083","0.0004","90","","105.194","0.003","90","","5294.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminobenzoic acid dioxane solvate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C216 H264 N24 O72 -","12","3","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.1292","0.0801","","","0.2062","0.2386","","","","","","1.04","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240985","4.1957","0.0002","14.9867","0.0006","11.5145","0.0005","90","","97.566","0.004","90","","717.72","0.05","100.12","0.1","100.12","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid","","- C7 H3 F4 N O2 -","- C7 H3 F4 N O2 -","- C28 H12 F16 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0332","0.0297","","","0.0844","0.0871","","","","","","1.092","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240986","7.0886","0.0002","18.8246","0.0005","12.8623","0.0004","90","","92.882","0.002","90","","1714.18","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid dioxane solvate","","- C15 H19 F4 N O6 -","- C15 H19 F4 N O6 -","- C60 H76 F16 N4 O24 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0384","0.0306","","","0.0765","0.0811","","","","","","1.021","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240987","10.7033","0.0004","8.728","0.0003","16.1405","0.0007","90","","95.802","0.004","90","","1500.1","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-3-methylbenzoic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0748","0.0506","","","0.1278","0.1437","","","","","","1.035","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240988","7.7494","0.00014","8.12614","0.00016","22.7285","0.0004","90","","90","","90","","1431.28","0.05","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-2-methylbenzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","1.54184","CuKα","","0.0284","0.0277","","","0.0732","0.0737","","","","","","1.058","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240989","5.0395","0.0002","8.2374","0.0003","20.4205","0.0007","88.805","0.002","83.313","0.002","84.487","0.002","838","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-aminobenzoic acid acetone solvate","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C34 H40 N4 O10 -","2","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0411","0.0381","","","0.1079","0.1114","","","","","","1.067","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240990","18.7617","0.0008","21.4672","0.0009","20.4528","0.0008","90","","90.527","0.004","90","","8237.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TBATPHAP","","- C76 H119.79 N20 O14 -","- C76 H119.788 N20 O14 -","- C304 H479.152 N80 O56 -","4","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2122","0.0896","","","0.1741","0.2239","","","","","","1.015","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240991","8.6426","0.0003","17.2337","0.0006","18.5797","0.0003","109.028","0.003","99.333","0.002","91.867","0.003","2570.64","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Ethyl acetate TPHAP","","- C42 H53 F12 N9 O10 P2 -","- C42 H53 F12 N9 O10 P2 -","- C84 H106 F24 N18 O20 P4 -","2","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","1.54184","CuKα","","0.1012","0.0663","","","0.1747","0.2018","","","","","","1.025","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240992","17.1313","0.0006","17.1313","0.0006","20.8643","0.0006","90","","90","","90","","6123.3","0.4","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","Methyl TPHAP","","- C25 H21 F12 N9 O0.5 P2 -","- C25 H21 F12 N9 O0.5 P2 -","- C200 H168 F96 N72 O4 P16 -","8","0.5","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.169","0.1137","","","0.3326","0.3747","","","","","","1.314","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240993","7.8313","0.0004","24.965","0.0013","26.4024","0.0013","75.376","0.004","84.342","0.004","88.14","0.004","4970.2","0.4","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","Methyl p-toluate TPHAP","","- C49 H39 Br2 N9 O11.9 -","- C49 H39 Br2 N9 O11.9035 -","- C196 H156 Br8 N36 O47.614 -","4","2","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2463","0.1177","","","0.2609","0.3372","","","","","","1.034","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240994","4.0787","0.0003","9.0943","0.0006","10.9148","0.0007","82.327","0.006","80.162","0.006","77.648","0.006","387.69","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","1","0.5","","Zhang, Yu; Yang, Qing Feng; Li, Xiaoping; Miao, Chengxia; Hou, Qin; Ai, Shiyun","One Cu(I)-I coordination polymer fluorescent chemosensor with amino-rich sites for nitro aromatic compounds (NACs) detection in water","CrystEngComm","2020","","","","","10.1039/D0CE00835D","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0492","0.0521","","","","","","1.044","","","","has coordinates","254821","2020-10-21","18:00:00",""
"7240995","15.3649","0.0005","10.2088","0.0004","23.5463","0.0008","90","","106.752","0.002","90","","3536.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl N5 O9 S -","- C34 H34 Cl N5 O9 S -","- C136 H136 Cl4 N20 O36 S4 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.0605","0.0421","","","0.1051","0.1154","","","","","","1.031","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240996","10.9083","0.0007","7.6817","0.0005","41.588","0.003","90","","96.132","0.004","90","","3464.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gefitinib-mefenamic acid cocrystal","","- C37 H41 Cl F N5 O6 -","- C37 H41 Cl F N5 O6 -","- C148 H164 Cl4 F4 N20 O24 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.1272","0.0908","","","0.1998","0.2177","","","","","","1.09","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240997","7.4156","0.0003","28.9261","0.0013","11.9542","0.0005","90","","98.256","0.004","90","","2537.65","0.19","122","30","122","30","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H9 F8 I4 N O -","- C23 H9 F8 I4 N O -","- C92 H36 F32 I16 N4 O4 -","4","0.5","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0213","0.0192","","","0.0404","0.0415","","","","","","1.0517","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240998","11.5999","0.0007","12.8903","0.0008","17.2206","0.001","69.005","0.005","75.36","0.005","84.308","0.005","2325.8","0.3","271","2","271","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C100 H56 F16 I8 N4 O4 -","2","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0664","0.0386","","","0.0751","0.0903","","","","","","1.026","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240999","24.648","0.001","15.7428","0.0005","19.4112","0.0005","90","","121.721","0.002","90","","6406.9","0.4","100","0.19","100","0.19","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C69 H39 F12 I6 N3 O3 -","- C69 H39 F12 I6 N3 O3 -","- C276 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0644","0.0496","","","0.1159","0.1309","","","","","","1.05","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241000","18.9947","0.0005","16.3335","0.0003","21.992","0.0005","90","","111.263","0.003","90","","6358.5","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H39 F12 I6 N3 O3 -","- C71 H39 F12 I6 N3 O3 -","- C284 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0449","0.0322","","","0.066","0.0735","","","","","","1.131","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241001","14.147","0.0005","16.6061","0.0004","18.9558","0.0005","90","","90","","90","","4453.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C200 H112 F32 I16 N8 O8 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0504","0.0378","","","0.0599","0.0655","","","","","","1.0358","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241002","17.8703","0.0005","34.1971","0.0007","17.377","0.0004","90","","114.181","0.003","90","","9687.5","0.5","292.49","0.1","292.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H60 F16 I8 N4 O4 -","- C104 H60 F16 I8 N4 O4 -","- C416 H240 F64 I32 N16 O16 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","1.54184","CuKα","","0.0964","0.0637","","","0.1593","0.1927","","","","","","1.029","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241003","10.768","0.002","10.433","0.002","14.8","0.003","90","","103.502","0.003","90","","1616.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C68 H60 Cl4 N8 O8 S4 -","4","1","","Wang, Kai-Kai; Xie, Yan-Xin; Li, Yan-Li; Chen, Rongxiang; Wang, Zhan-Yong","Dearomative [3 + 2] cycloaddition reaction of nitrobenzothiophenes with nonstabilized azomethine ylides","RSC Advances","2020","10","48","28720","28724","10.1039/D0RA05687A","","","0.71073","MoKα","","0.051","0.0393","","","0.1041","0.1106","","","","","","1.022","","","","has coordinates","258079","2020-10-21","18:00:00",""
"7241004","12.244","0.005","15.559","0.005","13.831","0.005","90","","113.152","0.005","90","","2422.7","1.5","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O Se2 -","- C22 H26 N4 Se2 -","- C88 H104 N16 Se8 -","4","1","","Maruthupandi, Mannarsamy; Prabusankar, Ganesan","Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone","RSC Advances","2020","10","48","28950","28957","10.1039/D0RA04577B","","","0.71073","MoKα","","0.123","0.0581","","","0.142","0.1898","","","","","","1.0311","","","","has coordinates","258080","2020-10-21","18:00:00",""
"7241005","17.2917","0.0005","9.421","0.0004","16.2331","0.0005","90","","93.499","0.003","90","","2639.53","0.16","120.01","0.1","120.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C88 H104 Br8 N16 O1.24 Se6.76 Zn4 -","4","0.5","","Maruthupandi, Mannarsamy; Prabusankar, Ganesan","Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone","RSC Advances","2020","10","48","28950","28957","10.1039/D0RA04577B","","","0.71073","MoKα","","0.0411","0.0328","","","0.0629","0.0647","","","","","","1.145","","","","has coordinates,has disorder","258080","2020-10-21","18:00:00",""
"7241006","10.6078","0.0005","10.7273","0.0004","31.015","0.0011","90","","90","","90","","3529.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 N2 O3 -","- C18 H16 Cl2 N2 O3 -","- C144 H128 Cl16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0755","0.0617","","","0.1646","0.1764","","","","","","1.05","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241007","20.3062","0.0006","10.4583","0.0003","11.1201","0.0004","90","","102.196","0.003","90","","2308.26","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 I2 N2 O4 -","- C22 H24 I2 N2 O4 -","- C88 H96 I8 N8 O16 -","4","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0557","0.048","","","0.1271","0.1363","","","","","","1.041","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241008","10.6612","0.0003","20.509","0.0005","14.3063","0.0003","90","","90.046","0.002","90","","3128.08","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F2 N2 O3 -","- C18 H16 F2 N2 O3 -","- C144 H128 F16 N16 O24 -","8","2","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.07","0.0518","","","0.1452","0.1642","","","","","","1.052","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241009","10.77295","0.00012","10.79851","0.00009","31.7818","0.0004","90","","90","","90","","3697.23","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0613","0.0576","","","0.1538","0.1575","","","","","","1.079","","","","has coordinates,has disorder","254849","2020-10-21","18:00:00",""
"7241010","9.344","0.0005","12.1505","0.0005","12.603","0.0005","82.8769","0.0014","69.9436","0.001","86.0352","0.0014","1333.18","0.1","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N O -","- C37 H27 N O -","- C74 H54 N2 O2 -","2","1","","Liang, Chunshuang","Organic polymorphs based on an AEE-active tetraphenylethene salicylaldehyde Schiff-base derivative: the effect of molecular conformation on luminescence properties","RSC Advances","2020","10","48","29043","29050","10.1039/D0RA00118J","","","0.71073","MoKα","","0.0525","0.0437","","","0.1167","0.1241","","","","","","1.067","","","","has coordinates","258081","2020-10-21","18:00:00",""
"7241011","7.1407","0.0006","10.651","0.0008","19.6362","0.0017","74.506","0.003","87.202","0.003","72.731","0.003","1373.5","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N O -","- C37 H27 N O -","- C74 H54 N2 O2 -","2","1","","Liang, Chunshuang","Organic polymorphs based on an AEE-active tetraphenylethene salicylaldehyde Schiff-base derivative: the effect of molecular conformation on luminescence properties","RSC Advances","2020","10","48","29043","29050","10.1039/D0RA00118J","","","0.71073","MoKα","","0.118","0.0515","","","0.1222","0.1601","","","","","","1.009","","","","has coordinates","258081","2020-10-21","18:00:00",""
"7241012","12.10003","0.00014","12.07847","0.00016","26.6169","0.0003","90","","94.3409","0.001","90","","3878.9","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O -","- C26 H17 N O -","- C208 H136 N8 O8 -","8","2","","Jia, Qianfa; Lan, Yunfei; Ye, Xin; Lin, Yinhe; Ren, Qiao","Direct access to multi-functionalized benzenes via [4 + 2] annulation of α-cyano-β-methylenones and α,β-unsaturated aldehydes","RSC Advances","2020","10","49","29171","29174","10.1039/D0RA05251E","","","1.54184","CuKα","","0.0643","0.0611","","","0.1669","0.1699","","","","","","1.058","","","","has coordinates","258122","2020-10-21","18:00:00",""
"7241013","10.491","0.0007","14.8834","0.001","15.4659","0.001","115.059","0.005","90.642","0.005","94.524","0.006","2178.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H136 Co2 N8 O12 S4 Si4 -","- C60 H136 Co2 N8 O12 S4 Si4 -","- C60 H136 Co2 N8 O12 S4 Si4 -","1","0.5","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.1025","0.0558","","","0.1428","0.2017","","","","","","1.048","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241014","16.32","0.004","9.3357","0.0017","28.884","0.008","90","","94.68","0.02","90","","4386.1","1.8","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H70 Co N4 O6 S2 Si2 -","- C34 H70 Co N4 O6 S2 Si2 -","- C136 H280 Co4 N16 O24 S8 Si8 -","4","0.5","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.0967","0.0781","","","0.2245","0.2378","","","","","","1.118","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241015","33.4655","0.0011","10.0373","0.0002","27.9753","0.0008","90","","107.496","0.003","90","","8962.3","0.5","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C34 H76 Co N2 O6 S2 Si2 -","- C34 H76 Co N2 O6 S2 Si2 -","- C272 H608 Co8 N16 O48 S16 Si16 -","8","1","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.0284","0.0258","","","0.0659","0.0685","","","","","","1.06","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241016","13.8359","0.0011","18.7145","0.0015","19.6641","0.0015","104.991","0.002","99.589","0.003","104.672","0.002","4608.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 N16 O17 P S -","- C84 H127 N16 O17 P S -","- C168 H254 N32 O34 P2 S2 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.2072","0.1055","","","0.2184","0.268","","","","","","1.014","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241017","10.3677","0.0003","11.6016","0.0003","23.4291","0.0006","90","","90","","90","","2818.1","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O4 -","- C27 H33 N7 O4 -","- C108 H132 N28 O16 -","4","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.104","0.0628","","","0.1756","0.2078","","","","","","1.021","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241018","9.4857","0.0004","17.0599","0.0007","18.6326","0.0008","64.282","0.002","80.544","0.002","87.541","0.002","2678.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H57 N13 O14 S2 -","- C52 H57 N13 O14 S2 -","- C104 H114 N26 O28 S4 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.0561","0.0502","","","0.1289","0.1355","","","","","","1.032","","","","has coordinates,has disorder","255197","2020-10-21","18:00:00",""
"7241019","9.951","0.0011","10.319","0.0012","12.614","0.0013","68.753","0.004","73.032","0.005","83.923","0.005","1154.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","1","0.5","","Guo, Runzhong; Dong, Hao; Li, Peiyuan; Sun, Yi; Wang, Haiying; Liu, Hui-Yan","A multifuctional Cd(II)-based metal−organic framework with amide groups exhibiting luminescent sensing towards multiple substances","CrystEngComm","2020","","","","","10.1039/D0CE01061H","","","0.71073","MoKα","","0.0649","0.0581","","","0.1811","0.1888","","","","","","1.221","","","","has coordinates","255228","2020-10-21","18:00:00",""
"7241020","6.6912","0.0009","20.226","0.003","10.1274","0.0013","90","","90","","90","","1370.6","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H8 N2 O S4 -","- C13 H8 N2 O S4 -","- C52 H32 N8 O4 S16 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0495","0.0363","","","0.0918","0.099","","","","","","1.043","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241021","9.6303","0.0005","12.2272","0.0006","17.1845","0.0008","90","","96.342","0.002","90","","2011.12","0.17","173","2","173","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","1","0.25","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.092","0.0782","","","0.1918","0.1999","","","","","","1.157","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241022","9.2529","0.0004","11.257","0.0005","17.247","0.0007","93.549","0.002","105.442","0.002","92.552","0.002","1724.8","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","1","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0315","0.0268","","","0.0658","0.0681","","","","","","1.044","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241023","26.2783","0.0008","7.3186","0.0002","25.1423","0.0007","90","","99.663","0.001","90","","4766.8","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Au N4 P S8 -","- C48 H36 Au N4 P S8 -","- C192 H144 Au4 N16 P4 S32 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0348","0.0251","","","0.057","0.0605","","","","","","1.027","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241024","17.0312","0.0009","10.1352","0.0009","26.7022","0.0015","90","","98.85","0.003","90","","4554.3","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 Au N3 S4 -","- C25 H16 Au N3 S4 -","- C200 H128 Au8 N24 S32 -","8","1","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0354","0.0293","","","0.067","0.0688","","","","","","1.088","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241025","17.2166","0.0007","24.801","0.0008","25.0137","0.0012","90","","90","","90","","10680.6","0.8","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H16 Au Co N7 S8 -","- C26 H16 Au Co N7 S8 -","- C208 H128 Au8 Co8 N56 S64 -","8","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.1599","0.0876","","","0.1982","0.2338","","","","","","1.035","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241026","20.1754","0.0012","7.5445","0.0004","37.558","0.002","90","","90","","90","","5716.8","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H32 Au2 Cd2 N10 S12 -","- C54 H32 Au2 Cd2 N10 S12 -","- C216 H128 Au8 Cd8 N40 S48 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0416","0.0278","","","0.0504","0.0539","","","","","","1.068","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241027","14.0705","0.0002","14.0407","0.0002","13.1353","0.0002","90","","92.207","0.001","90","","2593.08","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Br2 N2 O2 -","- C24 H46 Br2 N2 O2 -","- C96 H184 Br8 N8 O8 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0561","0.0449","","","0.1063","0.1157","","","","","","1","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241028","6.6197","0.0003","12.7852","0.0006","13.6584","0.0006","93.527","0.004","96.309","0.004","101.198","0.004","1123.02","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Br2 N2 O2 -","- C20 H38 Br2 N2 O2 -","- C40 H76 Br4 N4 O4 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0641","0.0404","","","0.0817","0.0944","","","","","","1","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241029","28.3447","0.0004","8.4739","0.0001","18.2377","0.0003","90","","128.822","0.001","90","","3412.85","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Br4 N8 O4 -","- C26 H34 Br4 N8 O4 -","- C104 H136 Br16 N32 O16 -","4","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0488","0.0347","","","0.0843","0.0913","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241030","7.7789","0.0002","12.379","0.0003","13.5879","0.0004","100.65","0.002","106.613","0.002","99.807","0.002","1197.13","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0456","0.0314","","","0.0696","0.0762","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241031","12.0913","0.0009","12.8187","0.0012","16.5005","0.0012","78.262","0.007","69.986","0.007","68.543","0.008","2227.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H70 Br4 N4 O8 -","- C30 H62 Br4 N4 O8 -","- C60 H124 Br8 N8 O16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1096","0.0712","","","0.1643","0.1879","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241032","29.7221","0.0003","14.609","0.0001","29.2449","0.0003","90","","92.031","0.001","90","","12690.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Br3 N3 O7 -","- C24 H45 Br3 N3 O7 -","- C384 H720 Br48 N48 O112 -","16","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0626","0.056","","","0.1806","0.1924","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241033","16.7042","0.0001","25.8169","0.0001","18.0462","0.0001","90","","105.02","","90","","7516.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H64 Br3 N3 O5 -","- C27 H59 Br3 N3 O5 -","- C216 H472 Br24 N24 O40 -","8","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1255","0.1152","","","0.2551","0.2613","","","","","","1.659","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241034","21.2861","0.0005","13.4278","0.0003","12.7119","0.0003","90","","115.582","0.002","90","","3277.2","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H56 Br3 N3 O4 -","- C27 H56 Br3 N3 O4 -","- C108 H224 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0275","0.024","","","0.0536","0.0551","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241035","12.9316","0.0001","13.8145","0.0001","21.706","0.0002","90","","90.973","0.001","90","","3877.08","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H68 Br3 N3 O4 -","- C33 H64 Br3 N3 O4 -","- C132 H256 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0691","0.0599","","","0.1531","0.1633","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241036","9.6181","0.0003","13.5685","0.0004","15.9089","0.0004","80.8233","0.0013","87.5873","0.0013","81.6607","0.0013","2027.54","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H38 O5 -","- C59 H38 O5 -","- C118 H76 O10 -","2","1","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.074","0.0517","","","0.1449","0.1545","","","","","","1.089","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241037","7.8456","0.0003","8.3213","0.0003","9.5951","0.0003","93.0871","0.001","113.677","0.001","114.38","0.0009","504.1","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C30 H20 O2 -","1","0.5","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.0398","0.0387","","","0.1018","0.1026","","","","","","1.038","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241038","8.6346","0.0001","11.4963","0.0001","11.874","0.0002","65.995","0.001","87.948","0.001","71.81","0.001","1017.27","0.03","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Au Cl2 P -","- C18 H30 Au Cl2 P -","- C36 H60 Au2 Cl4 P2 -","2","1","","Ingner, Fredric J. L.; Giustra, Zachary X.; Novosedlik, Sebastian; Orthaber, Andreas; Gates, Paul J.; Dyrager, Christine; Pilarski, Lukasz T.","Mechanochemical synthesis of (hetero)aryl Au(i) complexes","Green Chemistry","2020","22","17","5648","5655","10.1039/D0GC02263B","","x-ray","0.71073","MoKα","","0.0552","0.0538","","","0.1384","0.1395","","","","","","1.127","","","","has coordinates","257592","2020-10-21","18:00:00",""
"7241039","8.6986","0.001","18.586","0.002","12.1084","0.0013","90","","90.975","0.002","90","","1957.3","0.4","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Au Cl F N P -","- C17 H29 Au Cl F N P -","- C68 H116 Au4 Cl4 F4 N4 P4 -","4","1","","Ingner, Fredric J. L.; Giustra, Zachary X.; Novosedlik, Sebastian; Orthaber, Andreas; Gates, Paul J.; Dyrager, Christine; Pilarski, Lukasz T.","Mechanochemical synthesis of (hetero)aryl Au(i) complexes","Green Chemistry","2020","22","17","5648","5655","10.1039/D0GC02263B","","","0.71073","MoKα","","0.0441","0.0322","","","0.0719","0.0745","","","","","","1.067","","","","has coordinates","257592","2020-10-21","18:00:00",""
"7241040","6.0757","0.0004","16.4664","0.0011","11.9301","0.0008","90","","98.44","0.002","90","","1180.62","0.14","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.2296","0.13","","","0.3559","0.4323","","","","","","1.141","","","","has coordinates","258988","2020-11-06","13:20:07",""
"7241041","10.3715","0.0004","10.426","0.0003","12.2917","0.0004","92.1911","0.0017","108.336","0.0017","108.655","0.0017","1181.03","0.07","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","1","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","1.54178","CuKα","","0.0555","0.0452","","","0.1261","0.1349","","","","","","1.063","","","","has coordinates","258988","2020-11-06","13:20:07",""
"7241042","31.5547","0.0016","6.137","0.0002","17.2488","0.0009","90","","119.126","0.0016","90","","2917.9","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 O2 -","- C41 H32 O2 -","- C164 H128 O8 -","4","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.0913","0.0646","","","0.1629","0.1882","","","","","","1.031","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241043","6.0678","0.0006","16.401","0.002","11.9151","0.0011","90","","98.556","0.007","90","","1172.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","1","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.1203","0.0698","","","0.1546","0.1928","","","","","","1.028","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241044","31.3116","0.0019","6.1363","0.0003","17.3304","0.0011","90","","118.835","0.004","90","","2917","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 Cl O2 -","- C40 H29 Cl O2 -","- C160 H116 Cl4 O8 -","4","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","1.54178","CuKα","","0.0915","0.0655","","","0.1631","0.1791","","","","","","1.077","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241045","9.6293","0.0003","11.7366","0.0004","13.3435","0.0004","95.882","0.002","92.369","0.002","91.115","0.002","1498.37","0.08","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H58 Mn2 N6 -","- C24 H58 Mn2 N6 -","- C48 H116 Mn4 N12 -","2","1","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0525","0.0492","","","0.1264","0.1286","","","","","","1.063","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241046","12.7642","0.0005","21.0617","0.0009","17.1722","0.0008","90","","90.417","0.002","90","","4616.4","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Mn2 N2 O9 -","- C40 H76 Mn2 N2 O9 -","- C160 H304 Mn8 N8 O36 -","4","1","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.1058","0.0951","","","0.2545","0.2593","","","","","","1.091","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241047","10.3578","0.0003","18.3221","0.0005","11.8508","0.0003","90","","111.785","0.001","90","","2088.39","0.1","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70 Cl2 Mn2 N4 O4 -","- C34 H70 Cl2 Mn2 N4 O4 -","- C68 H140 Cl4 Mn4 N8 O8 -","2","0.5","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0304","0.0253","","","0.0605","0.0635","","","","","","1.08","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241048","10.1761","0.0004","9.1185","0.0004","21.7996","0.0009","90","","93.97","0.002","90","","2017.95","0.15","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H68 Mn2 N2 O6 -","- C34 H68 Mn2 N2 O6 -","- C68 H136 Mn4 N4 O12 -","2","0.5","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0576","0.0479","","","0.1392","0.1483","","","","","","1.052","","","","has coordinates,has disorder","258071","2020-10-21","18:00:00",""
"7241049","17.4287","0.00048","15.29046","0.00051","13.21952","0.0005","90","","90","","90","","3522.9","0.2","","","298","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","CAU-50","- C36 Fe3 O12 Sc2 -","- C36 Fe3 O12 Sc2 -","- C144 Fe12 O48 Sc8 -","4","0.5","","Benecke, Jannick; Svensson Grape, Erik; Engesser, Tobias; Inge, Andrew Ken; Reinsch, Helge","Observation of Three Different Linker Conformers in a Scandium Ferrocenedicarboxylate Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00986E","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","255279","2020-10-21","18:00:00",""
"7241050","13.338","0.003","23.519","0.005","19.056","0.004","90","","90","","90","","5978","2","113.15","","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H6 N3 O5 Zn -","- C12 H6 N3 O5 Zn -","- C96 H48 N24 O40 Zn8 -","8","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","0.71073","MoKα","","0.0831","0.0724","","","0.2159","0.229","","","","","","1.1","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241051","20.5369","0.0012","20.5369","0.0012","34.603","0.002","90","","90","","120","","12639","1.3","273","2","273.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C22 H11 N5 O7 Zn2 -","- C22 H11 N5 O7 Zn2 -","- C132 H66 N30 O42 Zn12 -","6","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","1.54178","CuKα","","0.1171","0.0616","","","0.1523","0.1832","","","","","","0.86","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241052","13.23734","0.00018","7.41493","0.0001","18.8284","0.0002","90","","92.6332","0.0012","90","","1846.13","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Fe2 N O8 S2 -","- C16 H7 Fe2 N O8 S2 -","- C64 H28 Fe8 N4 O32 S8 -","4","1","","Aguado, Sergio; Casarrubios, Luis; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Revisiting the photochemical synthesis of [FeFe]-hydrogenase mimics: reaction optimization, mechanistic study and electrochemical behaviour","RSC Advances","2020","10","50","29855","29867","10.1039/D0RA06002J","","","0.71073","MoKα","","0.0354","0.027","","","0.0573","0.061","","","","","","1.028","","","","has coordinates","258070","2020-10-21","18:00:00",""
"7241053","4.7905","0.0003","10.1855","0.0007","11.2559","0.0009","78.836","0.001","80.287","0.002","80.584","0.002","526.21","0.06","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Isoquinoline+Trifluoroacetate","1","","- C11 H8 F3 N O2 -","- C11 H8 F3 N O2 -","- C22 H16 F6 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1334","0.0721","","","0.1429","0.1688","","","","","","1.019","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241054","7.8573","0.0009","11.828","0.0015","16.5782","0.0019","90","","96.242","0.003","90","","1531.6","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isoquinoline+Benzenesulfonate","3","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1027","0.0824","","","0.1976","0.2104","","","","","","1.072","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241055","6.3247","0.0002","7.9047","0.0004","10.1134","0.0005","103.479","0.002","96.829","0.003","95.388","0.003","484.31","0.04","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Dibromoacetate","8","","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","1","0.5","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0521","0.0407","","","0.0904","0.0955","","","","","","1.031","","","","has coordinates,has disorder","258123","2020-10-21","18:00:00",""
"7241056","6.0822","0.0003","7.8975","0.0004","9.9912","0.0019","104.058","0.003","96.799","0.002","95.159","0.003","458.75","0.09","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Dichloroacetate","7","","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","1","0.5","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0519","0.0457","","","0.1186","0.1209","","","","","","1.013","","","","has coordinates,has disorder","258123","2020-10-21","18:00:00",""
"7241057","7.2478","0.0004","8.8083","0.0003","11.5321","0.0006","69.55","0.001","73.313","0.002","67.418","0.001","626.9","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Chloroacetate","9","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C30 H24 Cl2 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0699","0.0503","","","0.116","0.1265","","","","","","1.023","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241058","7.4888","0.0002","12.3779","0.0004","19.0995","0.0007","90","","97.448","0.002","90","","1755.5","0.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoquinoline+Benzenesulfonate","12","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C76 H60 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.087","0.0582","","","0.1415","0.1594","","","","","","1.025","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241059","6.8497","0.0004","9.3744","0.0008","12.0307","0.001","76.517","0.003","74.637","0.005","79.462","0.005","718.31","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Trichloroacetate","5","","- C15 H10 Cl3 N O2 -","- C15 H10 Cl3 N O2 -","- C30 H20 Cl6 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0754","0.0478","","","0.0975","0.1073","","","","","","1.036","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241060","9.5335","0.0003","18.6879","0.0005","7.1523","0.0002","90","","96.999","0.002","90","","1264.77","0.06","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine+Trifluoroacetate","4","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0613","0.0491","","","0.1179","0.1256","","","","","","1.04","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241061","10.1155","0.0006","11.3509","0.0004","11.1128","0.0005","90","","111.011","0.002","90","","1191.13","0.1","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","isoquinolinium trichloroacatate","","","- C11 H8 Cl3 N O2 -","- C11 H8 Cl3 N O2 -","- C44 H32 Cl12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0951","0.0548","","","0.1065","0.1205","","","","","","1.047","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241062","8.4155","0.0003","11.3195","0.0005","19.7432","0.0008","90","","92.939","0.002","90","","1878.25","0.13","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoquinoline+Dichloroacetate","13","","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","- C68 H52 Cl16 N4 O16 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0824","0.0501","","","0.1092","0.1239","","","","","","1.011","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241063","7.1261","0.0002","9.7581","0.0004","22.8711","0.0008","90","","90.978","0.002","90","","1590.16","0.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine+Benzenesulfonate","6","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C76 H60 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0651","0.0479","","","0.1116","0.1209","","","","","","1.036","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241064","6.691","0.0002","24.1354","0.0007","18.5026","0.0005","90","","92.611","0.002","90","","2984.88","0.15","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzoquinoline+Trichloroacetate","11","","- C15 H10 Cl3 N O2 -","- C15 H10 Cl3 N O2 -","- C120 H80 Cl24 N8 O16 -","8","2","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0816","0.0622","","","0.1612","0.1727","","","","","","1.076","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241065","10.0948","0.001","5.0687","0.0003","24.9448","0.0019","90","","90.411","0.003","90","","1276.33","0.18","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzoquinoline+Trifluoroacetate","10","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1101","0.0584","","","0.1364","0.1628","","","","","","1.022","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241066","4.3451","0.0002","19.0711","0.0005","23.2876","0.0006","90","","90","","90","","1929.75","0.11","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Benzoquinoline+Dibromoacetate","14","","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","- C68 H52 Br16 N4 O16 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0348","0.0277","","","0.0571","0.0598","","","","","","1.023","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241067","10.8902","0.0017","18.0847","0.0011","12.7594","0.0012","90","","110.79","0.015","90","","2349.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cu N3 O4 -","- C20 H13 Cu N3 O4 -","- C80 H52 Cu4 N12 O16 -","4","1","","Wei, Wenchang; Liu, Zheng; Wei, Runzhi; Han, Guo-Cheng; Liang, Chuxin","Synthesis of MOFs/GO composite for corrosion resistance application on carbon steel","RSC Advances","2020","10","50","29923","29934","10.1039/D0RA05690A","","","0.71073","MoKα","","0.1738","0.0776","","","0.192","0.2463","","","","","","0.944","","","","has coordinates","258072","2020-10-21","18:00:00",""
"7241068","4.8722","0.0002","16.6989","0.0006","19.354","0.0006","90","","90","","90","","1574.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Mn N2 O5 -","- C20 H12 Mn N2 O5 -","- C80 H48 Mn4 N8 O20 -","4","1","","Wei, Wenchang; Liu, Zheng; Wei, Runzhi; Han, Guo-Cheng; Liang, Chuxin","Synthesis of MOFs/GO composite for corrosion resistance application on carbon steel","RSC Advances","2020","10","50","29923","29934","10.1039/D0RA05690A","","","0.71073","MoKα","","0.0643","0.0435","","","0.0795","0.0883","","","","","","1.035","","","","has coordinates","258072","2020-10-21","18:00:00",""
"7241069","18.4741","0.0012","10.7522","0.0012","19.8687","0.0014","90","","110.119","0.008","90","","3705.8","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H66 Eu N8 O28 S2 -","- C56 H66 Eu N8 O28 S2 -","- C112 H132 Eu2 N16 O56 S4 -","2","0.5","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","x-ray","0.71073","MoKα","","0.1079","0.0606","","","0.1104","0.1283","","","","","","0.95","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241070","9.0648","0.0004","10.3588","0.0006","18.876","0.001","78.99","0.005","77.823","0.004","80.206","0.004","1685.06","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 N2 O21 S2 Sm -","- C26 H28 N2 O21 S2 Sm -","- C52 H56 N4 O42 S4 Sm2 -","2","1","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","","0.71073","MoKα","","0.0521","0.0401","","","0.0657","0.0694","","","","","","1.01","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241071","10.3025","0.0011","15.7894","0.0017","15.9352","0.0016","90","","92.997","0.004","90","","2588.6","0.5","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 F6 N3 -","- C34 H19 F6 N3 -","- C136 H76 F24 N12 -","4","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0618","0.0494","","","0.1324","0.1422","","","","","","1.036","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241072","10.437","0.004","11.159","0.004","26.443","0.008","90","","93.92","0.012","90","","3072.5","1.9","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 Cl2 F6 N3 O -","- C35 H21 Cl2 F6 N3 O -","- C140 H84 Cl8 F24 N12 O4 -","4","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0639","0.0541","","","0.1373","0.1463","","","","","","1.052","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241073","9.459","0.003","12.647","0.003","13.633","0.003","92.321","0.011","107.307","0.012","92.887","0.013","1552.4","0.7","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H21 F6 N3 -","- C34 H21 F6 N3 -","- C68 H42 F12 N6 -","2","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0678","0.0622","","","0.1738","0.1796","","","","","","1.064","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241074","9.488","0.003","9.778","0.003","16.834","0.006","105.688","0.017","97.397","0.017","94.639","0.012","1480.1","0.9","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 F6 N3 O2 -","- C36 H25 F6 N3 O2 -","- C72 H50 F12 N6 O4 -","2","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.051","0.0467","","","0.1205","0.1248","","","","","","1.028","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241075","9.7723","0.0006","12.896","0.0009","13.7128","0.001","104.309","0.006","109.946","0.006","96.773","0.005","1534.8","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H47 Mg3 N5 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","1","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0683","0.0602","","","0.1816","0.1868","","","","","","1.088","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241076","18.7842","0.0006","14.8469","0.0004","19.2101","0.0005","90","","104.519","0.003","90","","5186.4","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Mg3 N4 O16 S6 -","- C42 H40 Mg3 N4 O16 S6 -","- C168 H160 Mg12 N16 O64 S24 -","4","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0546","0.0495","","","0.1383","0.1415","","","","","","1.04","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241077","14.0679","0.0007","13.5283","0.0007","12.1868","0.0006","90","","98.839","0.005","90","","2291.8","0.2","102","4","102","4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd N7 O4 -","- C15 H11 Cd N7 O4 -","- C60 H44 Cd4 N28 O16 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.038","0.0313","","","0.0685","0.0717","","","","","","1.0255","","","","has coordinates","257977","2020-10-21","18:00:00",""
"7241078","14.1942","0.0003","13.8641","0.0003","11.4559","0.0003","90","","100.148","0.002","90","","2219.14","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd Cl N6 O -","- C15 H11 Cd Cl N6 O -","- C60 H44 Cd4 Cl4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.0298","0.025","","","0.0518","0.0536","","","","","","1.0067","","","","has coordinates,has disorder","257977","2020-10-21","18:00:00",""
"7241079","14.1595","0.0007","13.7222","0.0009","11.8323","0.0007","90","","100.171","0.005","90","","2262.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br Cd N6 O -","- C15 H11 Br Cd N6 O -","- C60 H44 Br4 Cd4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","1.54178","CuKα","","0.0392","0.0369","","","0.087","0.0887","","","","","","1.0424","","","","has coordinates,has disorder","257977","2020-10-21","18:00:00",""
"7241080","13.9866","0.0006","13.6934","0.0007","12.088","0.0007","90","","99.393","0.005","90","","2284.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd I N6 O -","- C15 H11 Cd I N6 O -","- C60 H44 Cd4 I4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.0766","0.0611","","","0.1621","0.1732","","","","","","0.9964","","","","has coordinates","257977","2020-10-21","18:00:00",""
"7241081","8.7108","0.0004","9.1324","0.0004","14.1005","0.0006","100.068","0.004","92.632","0.004","111.204","0.004","1022.35","0.09","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H6 N O10 Os3 -","- C17 H6 N O10 Os3 -","- C34 H12 N2 O20 Os6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","x-ray","0.71073","MoKα","","0.0294","0.0269","","","0.0623","0.0641","","","","","","1.017","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241082","17.575","0.004","8.329","0.002","30.267","0.006","90","","96.45","0.03","90","","4402.5","1.7","193","1","193","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H5 Cl N O11 Os3 -","- C17.5 H5 Cl N O11 Os3 -","- C140 H40 Cl8 N8 O88 Os24 -","8","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.0318","0.0261","","","0.0534","0.0551","","","","","","1.135","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241083","8.187","0.005","9.641","0.006","15.139","0.009","97.65","0.03","94.716","0.017","106.3","0.02","1127.7","1.2","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H10 N2 O8 Ru3 -","- C22 H10 N2 O8 Ru3 -","- C44 H20 N4 O16 Ru6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.0497","0.0323","","","0.0775","0.0854","","","","","","1.039","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241084","11.114","0.018","11.221","0.017","13.16","0.02","75.91","0.05","73.55","0.06","61.99","0.09","1378","4","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H15 N3 O8 Ru3 -","- C29 H15 N3 O8 Ru3 -","- C58 H30 N6 O16 Ru6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.101","0.0687","","","0.1619","0.1872","","","","","","1.052","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241085","8.1249","0.0002","15.291","0.0004","15.3121","0.0004","90","","91.697","0.002","90","","1901.51","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 N O9 Os3 -","- C16 H6 N O9 Os3 -","- C64 H24 N4 O36 Os12 -","4","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","x-ray","0.71073","MoKα","","0.0239","0.0211","","","0.0459","0.0471","","","","","","1.103","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241086","5.923","0.003","8.454","0.004","10.773","0.005","78.722","0.006","76.248","0.006","86.236","0.006","513.8","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C26 H26 N2 O2 -","2","1","","Bi, Hong-Yan; Li, Cheng-Jing; Wei, Cui; Liang, Cui; Mo, Dong-Liang","Copper-catalyzed tri- or tetrafunctionalization of alkenylboronic acids to prepare tetrahydrocarbazol-1-ones and indolo[2,3-a]carbazoles","Green Chemistry","2020","22","17","5815","5821","10.1039/D0GC01514H","","","0.71073","MoKα","","0.0549","0.0507","","","0.139","0.1435","","","","","","1.082","","","","has coordinates","257590","2020-10-21","18:00:00",""
"7241087","10.3801","0.0006","12.7791","0.0007","22.1745","0.0012","92.814","0.002","92.689","0.002","104.376","0.002","2840.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Ir2 N8 Na2 O23 S4 -","- C44 H36 Ir2 N8 Na2 O23 S4 -","- C88 H72 Ir4 N16 Na4 O46 S8 -","2","1","","Ainembabazi, Diana; Wang, Kai; Finn, Matthew; Ridenour, James; Voutchkova-Kostal, Adelina","Efficient transfer hydrogenation of carbonate salts from glycerol using water-soluble iridium N-heterocyclic carbene catalysts","Green Chemistry","2020","22","18","6093","6104","10.1039/D0GC01958E","","x-ray","0.71073","MoKα","","0.079","0.0554","","","0.1176","0.1275","","","","","","1.057","","","","has coordinates,has disorder","257621","2020-10-21","18:00:00",""
"7241088","11.2359","0.0002","14.902","0.0002","12.3361","0.0003","90","","111.221","0.001","90","","1925.46","0.06","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Br N2 O S -","- C7 H11 Br N2 O S -","- C56 H88 Br8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0737","0.0762","","","","","","1.083","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241089","11.1116","0.0002","14.6502","0.0003","12.1138","0.0004","90","","111.27","0.002","90","","1837.64","0.08","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C56 H88 Cl8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0311","0.0287","","","0.0731","0.0747","","","","","","1.046","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241090","15.1584","0.0006","6.9422","0.0003","8.7807","0.0004","90","","90","","90","","924.02","0.07","203","2","203","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H10 Br N3 O S -","- C6 H10 Br N3 O S -","- C24 H40 Br4 N12 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0344","0.0287","","","0.0585","0.0606","","","","","","1.067","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241091","5.8057","0.0003","19.4234","0.0011","8.3009","0.0005","90","","102.153","0.005","90","","915.08","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Br N4 O S -","- C5 H9 Br N4 O S -","- C20 H36 Br4 N16 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.0846","0.0883","","","","","","1.146","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241092","17.196","0.0008","8.4197","0.0005","6.6408","0.0003","90","","95.281","0.004","90","","957.41","0.08","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C28 H44 Cl4 N8 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0319","0.0287","","","0.0757","0.0765","","","","","","1.018","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241093","4.7921","0.0005","11.1245","0.0012","11.2988","0.0013","65.883","0.008","86.445","0.009","78.351","0.008","538.29","0.11","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0553","0.0351","","","0.0852","0.091","","","","","","0.894","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241094","5.2947","0.0006","8.124","0.0007","20.88","0.003","90","","90.109","0.009","90","","898.13","0.18","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0574","0.0398","","","0.0938","0.1021","","","","","","0.906","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241095","27.986","0.003","4.615","0.0003","24.046","0.002","90","","132.364","0.005","90","","2294.7","0.4","295","1","295","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C88 H72 Cl8 N16 O40 -","4","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0677","0.0329","","","0.0579","0.0627","","","","","","0.741","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241096","8.4521","0.0005","5.1303","0.0002","23.1482","0.0014","90","","99.316","0.005","90","","990.51","0.09","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N4 O6 -","- C20 H14 Cl2 N4 O6 -","- C40 H28 Cl4 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0526","0.0364","","","0.0987","0.1037","","","","","","1.043","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241097","4.7183","0.0006","10.9094","0.0012","11.9445","0.0016","74.12","0.009","81.304","0.011","81.681","0.01","581.11","0.13","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0763","0.0342","","","0.0598","0.0677","","","","","","0.841","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241098","9.6305","0.0015","4.8508","0.0009","19.676","0.003","90","","101.762","0.008","90","","899.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0775","0.0528","","","0.127","0.1419","","","","","","1.038","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241099","14.4343","0.0012","12.339","0.0012","16.3675","0.0011","90","","90","","90","","2915.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C112 H128 N32 O40 -","8","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.056","0.0401","","","0.1027","0.114","","","","","","1.046","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241100","8.297","0.0004","8.4259","0.0004","8.6973","0.0004","73.191","0.003","62.99","0.003","63.742","0.003","482.84","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C16 H22 N10 O6 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.1433","0.0773","","","0.1602","0.1931","","","","","","1.015","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241101","16.8076","0.0015","6.312","0.0006","13.8556","0.0013","90","","90","","90","","1469.9","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H18 N4 O8 -","- C12 H18 N4 O8 -","- C48 H72 N16 O32 -","4","0.5","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0632","0.0403","","","0.0916","0.1057","","","","","","1.03","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241102","3.8177","0.0001","18.7165","0.0007","10.7428","0.0004","90","","109.012","0.002","90","","725.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O6 -","- C4 H11 N O6 -","- C16 H44 N4 O24 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","1.54178","CuKα","","0.0302","0.0284","","","0.0735","0.0748","","","","","","1.084","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241103","3.726","0.0003","10.5594","0.0009","10.9879","0.0009","84.17","0.006","87.921","0.005","85.492","0.006","428.57","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0418","0.0365","","","0.0985","0.1035","","","","","","1.039","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241104","6.7934","0.0007","9.2159","0.0014","27.264","0.005","90","","93.007","0.012","90","","1704.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mebendazole perchlorate","","- C16 H14 Cl N3 O7 -","- C16 H14 Cl N3 O7 -","- C64 H56 Cl4 N12 O28 -","4","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.2439","0.0915","","","0.2043","0.2845","","","","","","1.026","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241105","9.1092","0.0011","9.9717","0.0014","9.9908","0.0014","92.075","0.012","102.401","0.011","90.209","0.01","885.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Mebendazole methylbisulfate","Mebendazole methylsulfate","","- C17 H17 N3 O7 S -","- C17 H17 N3 O7 S -","- C34 H34 N6 O14 S2 -","2","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.1639","0.0649","","","0.1512","0.1882","","","","","","1.049","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241106","9.6941","0.0003","18.5267","0.0005","11.897","0.0003","90","","100.254","0.001","90","","2102.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br N O2 -","- C26 H16 Br N O2 -","- C104 H64 Br4 N4 O8 -","4","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0525","0.0346","","","0.0818","0.0907","","","","","","1.034","","","","has coordinates","255614","2020-10-21","18:00:00",""
"7241107","9.9622","0.0007","10.257","0.0007","18.2695","0.0011","90.165","0.002","93.058","0.002","93.993","0.002","1859.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N2 O2 -","- C44 H30 N2 O2 -","- C88 H60 N4 O4 -","2","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0956","0.063","","","0.1722","0.1938","","","","","","1.054","","","","has coordinates,has disorder","255614","2020-10-21","18:00:00",""
"7241108","9.8228","0.0004","15.994","0.0008","18.5143","0.0011","90","","104.008","0.002","90","","2822.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl4 N4 O4 -","- C24 H28 Cl4 N4 O4 -","- C96 H112 Cl16 N16 O16 -","4","1","","Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric","Counterintuitive torsional barriers controlled by hydrogen bonding.","Physical chemistry chemical physics : PCCP","2020","22","36","20602","20611","10.1039/d0cp03285a","","","0.71073","MoKα","","0.0624","0.0529","","","0.1511","0.1624","","","","","","1","","","","has coordinates","258986","2020-11-06","13:19:29",""
"7241109","9.6496","0.0005","12.0424","0.0008","19.8345","0.0013","81.278","0.002","82.463","0.002","70.074","0.002","2134","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H52 O12 -","- C48 H52 O12 -","- C96 H104 O24 -","2","1","","Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric","Counterintuitive torsional barriers controlled by hydrogen bonding.","Physical chemistry chemical physics : PCCP","2020","22","36","20602","20611","10.1039/d0cp03285a","","","0.71073","MoKα","","0.0631","0.0457","","","0.1208","0.1336","","","","","","1.007","","","","has coordinates","258986","2020-11-06","13:19:39",""
"7241110","9.2669","0.0004","9.8502","0.0005","14.0987","0.0007","95.459","0.002","102.736","0.002","96.328","0.002","1238.13","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N5 O11 Zn2 -","- C23 H21 N5 O11 Zn2 -","- C46 H42 N10 O22 Zn4 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0291","0.0243","","","0.0629","0.0651","","","","","","1.088","","","","has coordinates,has disorder","255639","2020-10-21","18:00:00",""
"7241111","9.7083","0.0003","12.3721","0.0008","18.0053","0.0005","91.074","0.004","95.987","0.003","99.217","0.004","2121.7","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N8 O23 Zn4 -","- C32 H34 N8 O23 Zn4 -","- C64 H68 N16 O46 Zn8 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0575","0.0381","","","0.0903","0.0971","","","","","","1.091","","","","has coordinates","255640","2020-10-21","18:00:00",""
"7241112","9.9614","0.0012","17.775","0.002","19.243","0.002","90","","102.947","0.002","90","","3320.6","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 Cu2 N7 O7 -","- C35 H19 Cu2 N7 O7 -","- C140 H76 Cu8 N28 O28 -","4","0.5","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0952","0.0819","","","0.2515","0.2632","","","","","","1.089","","","","has coordinates,has disorder","255641","2020-10-21","18:00:00",""
"7241113","9.2751","0.0019","9.8616","0.0017","14.1","0.003","95.512","0.007","102.83","0.006","96.382","0.006","1240","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cu2 N5 O11 -","- C23 H21 Cu2 N5 O11 -","- C46 H42 Cu4 N10 O22 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.036","0.0284","","","0.0694","0.0725","","","","","","1.026","","","","has coordinates,has disorder","255642","2020-10-21","18:00:00",""
"7241114","21.961","0.005","11.928","0.003","8.903","0.002","90","","90","","90","","2332.1","0.9","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H10 Cs4 N6 O4 S6 -","- C6 H10 Cs4 N6 O4 S6 -","- C24 H40 Cs16 N24 O16 S24 -","4","0.5","","Zhao, Jianmin; Liu, Hongkun; Zhang, Xiaodong; Zhang, Bingbing; Wang, Ying","Facile synthesis of a cesium trithiocyanurate with high ionic conductivity and large birefringence properties","CrystEngComm","2020","","","","","10.1039/D0CE01116A","","","0.71073","MoKα","","0.0617","0.0356","","","0.0671","0.0757","","","","","","1.033","","","","has coordinates","255643","2020-10-21","18:00:00",""
"7241115","32.824","0.006","6.1669","0.0011","6.2114","0.0011","90","","93.205","0.002","90","","1255.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","0.25","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0371","0.0328","","","0.0899","0.1051","","","","","","1.204","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241116","8.8201","0.0014","8.8198","0.0014","29.038","0.005","93.198","0.002","95.495","0.002","90.123","0.002","2245","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","C18H36N4I10Pb3","","- C18 H36 I10 N4 Pb3 -","- C25 I10 N2 Pb3 -","- C50 I20 N4 Pb6 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.083","0.0607","","","0.1573","0.1734","","","","","","1.107","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241117","8.8092","0.0005","8.8168","0.0004","22.8196","0.0012","97.072","0.004","93.983","0.004","90.199","0.004","1754.51","0.16","296","0.1","296","0.1","","","","","","","","5","P -1","-P 1","2","","C17H30N3I7Pb2","","- C17 H30 I7 N3 Pb2 -","- C7 I7 N2 Pb2 -","- C14 I14 N4 Pb4 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","x-ray","0.71073","MoKα","","0.0747","0.0546","","","0.1443","0.1592","","","","","","1.052","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241118","8.7497","0.0008","8.751","0.0008","16.683","0.0015","99.7643","0.001","95.2258","0.001","90.3394","0.001","1253.4","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","C16H24I4N2Pb","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0396","0.0348","","","0.0978","0.1064","","","","","","1.091","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241119","8.735","0.0016","8.7359","0.0016","16.673","0.003","99.694","0.005","95.22","0.006","90.393","0.005","1248.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","C16H24N2I4Pb","","- C16 H24 I4 N2 Pb -","- C19 I4 N2 Pb -","- C38 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0682","0.0525","","","0.1418","0.1482","","","","","","1.175","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241120","10.8713","0.0004","14.5655","0.0006","8.7376","0.0004","90","","102.36","0.001","90","","1351.5","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C56 H32 O24 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.0257","0.0175","","","0.0373","0.0393","","","","","","1.078","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241121","10.4923","0.0011","15.3276","0.0017","12.1504","0.0013","90","","97.178","0.003","90","","1938.7","0.4","300","2","299.85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O7 U -","- C19 H17 N O7 U -","- C76 H68 N4 O28 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.031","0.0242","","","0.0555","0.0601","","","","","","1.117","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241122","9.6125","0.0001","11.4482","0.0001","12.0079","0.0001","88.333","0.001","66.767","0.001","85.721","0.001","1210.88","0.02","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.5418","CuKα","","0.0417","0.037","","","0.0968","0.1026","","","","","","1.032","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241123","9.4489","0.0004","10.9319","0.0004","12.4569","0.0007","91.048","0.005","64.18","0.004","85.038","0.004","1151.68","0.1","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.0617","0.0568","","","0.1523","0.1586","","","","","","1.006","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241124","9.511","0.0002","11.4116","0.0003","11.7909","0.0003","87.5702","0.0019","83.0661","0.0019","67.522","0.002","1173.85","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N2 O6 -","- C28 H20 Co N2 O6 -","- C56 H40 Co2 N4 O12 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.54184","CuKα","","0.0376","0.0349","","","0.0878","0.0894","","","","","","1.045","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241125","9.6125","0.0001","11.4482","0.0001","12.0634","0.0002","88.252","0.001","66.161","0.001","85.721","0.001","1210.88","0.03","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.1516","0.1436","","","0.4317","0.4456","","","","","","2.114","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241126","12.4871","0.001","14.3971","0.0012","16.4209","0.001","90","","114.354","0.005","90","","2689.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N4 O10 -","- C20 H24 Cd N4 O10 -","- C80 H96 Cd4 N16 O40 -","4","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0479","0.0421","","","0.1283","0.136","","","","","","1.075","","","","has coordinates,has disorder","255677","2020-10-21","18:00:00",""
"7241127","32.2321","0.0019","32.2321","0.0019","14.2264","0.0011","90","","90","","120","","12799.8","1.5","291","2","291","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H12 N4 O4 Zn -","- C20 H12 N4 O4 Zn -","- C360 H216 N72 O72 Zn18 -","18","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0599","0.0383","","","0.0923","0.0945","","","","","","1.091","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241128","16.2489","0.0013","16.2489","0.0013","45.5303","0.0017","90","","90","","120","","10410.7","1.2","291","2","291","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H43 Cd4 Cl2 N13 O13 -","- C63 H43 Cd4 Cl2 N13 O13 -","- C378 H258 Cd24 Cl12 N78 O78 -","6","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.032","0.0317","","","0.1034","0.1037","","","","","","1.032","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241129","11.37","0.0004","10.2878","0.0004","14.5801","0.0006","90","","97.519","0.004","90","","1690.8","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C84 H72 N8 O4 S4 -","4","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.0462","0.0382","","","0.0847","0.0901","","","","","","1.048","","","","has coordinates","258874","2020-11-06","12:32:13",""
"7241130","4.9241","0.0018","14.209","0.004","15.299","0.0016","90.853","0.015","96.934","0.019","99.1","0.03","1048.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.75 H22 N3 O1.75 S -","- C22.75 H22 N3 O1.75 S -","- C45.5 H44 N6 O3.5 S2 -","2","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.2222","0.107","","","0.2312","0.3136","","","","","","0.89","","","","has coordinates","258874","2020-11-06","12:32:14",""
"7241131","5.6915","0.0002","12.7636","0.0006","26.8264","0.0012","90","","90","","90","","1948.78","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 S -","- C25 H20 N2 S -","- C100 H80 N8 S4 -","4","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.0804","0.052","","","0.1068","0.1254","","","","","","1.042","","","","has coordinates","258874","2020-11-06","12:32:14",""
"7241132","14.1749","0.0009","16.1144","0.0008","14.9624","0.0011","90","","91.976","0.006","90","","3415.7","0.4","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C40 H36 N2 O6 -","- C40 H36 N2 O6 -","- C160 H144 N8 O24 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.","Ruthenium-catalyzed, site-selective C‒H activation: access to C5-substituted azaflavanone","RSC Advances","2020","10","52","31570","31574","10.1039/D0RA06580C","","","0.71073","MoKα","","0.1631","0.0821","","","0.213","0.2654","","","","","","1.049","","","","has coordinates","258040","2020-10-21","18:00:00",""
"7241133","10.5619","0.0005","7.106","0.0003","25.1299","0.0012","90","","101.338","0.001","90","","1849.26","0.15","100.06","","100.06","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 F3 Fe N4 O3 S -","- C12 H18 Cl2 F3 Fe N4 O3 S -","- C48 H72 Cl8 F12 Fe4 N16 O12 S4 -","4","1","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0221","0.0215","","","0.0555","0.0558","","","","","","1.0685","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241134","27.529","0.0009","10.302","0.0003","7.0168","0.0002","90","","90","","90","","1989.99","0.1","105","2","105","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C48 H68 Cl8 F12 Fe4 N20 O20 S4 -","4","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0381","0.0379","","","0.0937","0.0938","","","","","","1.213","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241135","10.1639","0.0003","8.8011","0.0003","12.5028","0.0004","90","","109.928","0.002","90","","1051.45","0.06","99.97","","99.97","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C28 H42 Cl4 F6 Fe2 N10 O8 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0628","0.0502","","","0.0947","0.0994","","","","","","1.117","","","","has coordinates,has disorder","258042","2020-10-21","18:00:00",""
"7241136","6.8687","0.0002","8.6082","0.0002","13.7369","0.0004","80.288","0.002","81.571","0.002","88.256","0.002","791.92","0.04","102.49","","102.49","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H19.161 Cl3 Fe N4 O1.907 -","- C11 H19.16 Cl3 Fe N4 O1.91 -","- C22 H38.32 Cl6 Fe2 N8 O3.82 -","2","1","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0611","0.0411","","","0.0819","0.089","","","","","","1.0563","","","","has coordinates,has disorder","258042","2020-10-21","18:00:00",""
"7241137","6.9632","0.0003","10.2625","0.0005","14.6539","0.0007","90","","97.751","0.002","90","","1037.6","0.08","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C26 H34 Cl4 F12 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0337","0.03","","","0.0761","0.0786","","","","","","1.0543","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241138","6.9779","0.0004","10.3829","0.0006","13.9933","0.0008","90","","97.673","0.002","90","","1004.75","0.1","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C24 H34 Cl6 F6 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0267","0.0261","","","0.0608","0.0613","","","","","","1.0497","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241139","16.587","0.009","10.184","0.005","17.383","0.009","90","","108.815","0.018","90","","2779","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 B N2 O3 -","- C34 H27 B N2 O3 -","- C136 H108 B4 N8 O12 -","4","1","","Lara-Cerón, Jesús A.; Jiménez Pérez, Víctor M.; Xochicale-Santana, Leonardo; Ochoa, María E.; Chávez-Reyes, Arturo; Muñoz-Flores, Blanca M.","Boron Schiff bases derived from α-amino acids as nucleoli/cytoplasm cell-staining fluorescent probes in vitro","RSC Advances","2020","10","53","31748","31757","10.1039/D0RA05948J","","","0.71073","MoKα","","0.1033","0.0587","","","0.1194","0.1374","","","","","","1.074","","","","has coordinates","258008","2020-10-21","18:00:00",""
"7241140","3.8428","0.0003","36.328","0.003","11.0693","0.0008","90","","91.93","0.004","90","","1544.4","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H12 O3 S -","- C21 H12 O3 S -","- C84 H48 O12 S4 -","4","1","","Boufroura, Hamza; Plais, Romain; Poyer, Salomé; Gaucher, Anne; Marrot, Jérome; Clavier, Gilles; Legrand, François-Xavier; Huin, Cécile; Guégan, Philippe; Prim, Damien; Salpin, Jean-Yves","Helically shaped cation receptor: design, synthesis, characterisation and first application to ion transport","RSC Advances","2020","10","52","31670","31679","10.1039/D0RA05519K","","","0.71073","MoKα","","0.0818","0.067","","","0.1602","0.1709","","","","","","1.021","","","","has coordinates","258041","2020-10-21","18:00:00",""
"7241141","7.7624","0.0012","13.253","0.002","10.4256","0.0016","90","","104.1","0.002","90","","1040.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C24 H8 N32 O24 -","4","1","","Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou","A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan","RSC Advances","2020","10","53","31800","31807","10.1039/D0RA06186G","","","0.71073","MoKα","","0.0371","0.0319","","","0.0837","0.0883","","","","","","1.027","","","","has coordinates","258004","2020-10-21","18:00:00",""
"7241142","6.188","0.008","9.187","0.011","10.3","0.013","71.902","0.018","84.505","0.018","82.972","0.019","551.4","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C12 H4 N16 O12 -","2","1","","Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou","A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan","RSC Advances","2020","10","53","31800","31807","10.1039/D0RA06186G","","","0.71073","MoKα","","0.0668","0.063","","","0.201","0.2053","","","","","","1.024","","","","has coordinates","258004","2020-10-21","18:00:00",""
"7241143","14.7203","0.0009","5.3408","0.0003","16.4985","0.0009","90","","106.533","0.006","90","","1243.46","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Hu, Jingyan; Ji, Xiaoming; Hao, Shuai; Zhao, Mingqin; Lai, Miao; Ren, Tianbao; Xi, Gaolei; Wang, Erbin; Wang, Juanjuan; Wu, Zhiyong","Regioselective C‒H sulfenylation of N-sulfonyl protected 7-azaindoles promoted by TBAI: a rapid synthesis of 3-thio-7-azaindoles","RSC Advances","2020","10","53","31819","31823","10.1039/D0RA06635D","","x-ray","1.54184","CuKα","","0.064","0.0454","","","0.1081","0.1234","","","","","","1.038","","","","has coordinates","258007","2020-10-21","18:00:00",""
"7241144","14.588","0.0005","10.6964","0.0003","21.111","0.0009","90","","90","","90","","3294.1","0.2","296.31","0.1","296.31","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C18 H29 N3 O15.5 P5 Zn4 -","- C18 H26 N3 O15.5 P5 Zn4 -","- C72 H104 N12 O62 P20 Zn16 -","4","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0962","0.0894","","","0.2687","0.2789","","","","","","1.057","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241145","5.06676","0.00018","18.5492","0.0006","7.3779","0.0003","90","","109.713","0.004","90","","652.77","0.04","294.05","0.1","294.05","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C4 H13 F2 Fe2 N2 O8 P2 -","- C4 H13 F2 Fe2 N2 O8 P2 -","- C8 H26 F4 Fe4 N4 O16 P4 -","2","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0474","0.0441","","","0.1178","0.1204","","","","","","1.102","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241146","8.5574","0.0002","9.8938","0.0002","14.8351","0.0004","91.403","0.001","93.658","0.001","97.92","0.001","1240.8","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H52 F4 N4 O12 -","- C54 H52 F4 N4 O12 -","- C54 H52 F4 N4 O12 -","1","1","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.036","0.0327","","","0.089","0.0973","","","","","","1.09","","","","has coordinates","257620","2020-10-21","18:00:00",""
"7241147","8.3081","0.0003","11.7497","0.0004","26.4644","0.0008","90","","90","","90","","2583.39","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl F2 N O4 -","- C24 H36 Cl F2 N O4 -","- C96 H144 Cl4 F8 N4 O16 -","4","1","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.0463","0.0373","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","257620","2020-10-21","18:00:00",""
"7241148","6.3536","0.0002","11.4414","0.0004","23.5584","0.0009","90","","92.688","0.003","90","","1710.67","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0828","0.0742","","","0.1977","0.2074","","","","","","1.037","","","","has coordinates","258983","2020-11-06","13:18:32",""
"7241149","6.27903","0.0001","10.62604","0.00017","25.7596","0.0004","90","","91.8497","0.0015","90","","1717.82","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0541","0.0506","","","0.1336","0.1382","","","","","","1.057","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241150","12.4558","0.0002","12.11252","0.00015","12.7411","0.0002","90","","113.325","0.002","90","","1765.16","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0856","0.0805","","","0.2187","0.2267","","","","","","1.057","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241151","8.73519","0.00009","9.35255","0.00009","21.1327","0.0002","90","","101.428","0.001","90","","1692.23","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0429","0.0411","","","0.1064","0.1088","","","","","","1.064","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241152","17.861","0.004","11.063","0.002","22.252","0.005","90","","108.15","0.03","90","","4178.1","1.7","113.15","","113.15","","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B Cl F4 Fe N Ni O P2 S2 -","- C40 H35 B Cl F4 Fe N Ni O P2 S2 -","- C160 H140 B4 Cl4 F16 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","","0.71073","MoKα","","0.0866","0.0693","","","0.1538","0.1648","","","","","","1.127","","","","has coordinates","258005","2020-10-21","18:00:00",""
"7241153","10.113","0.002","12.365","0.003","18.383","0.004","75.55","0.03","87.96","0.03","77.76","0.03","2175.1","0.9","113","2","113.15","","","","","","","","","11","P -1","-P 1","2","","","","- C43 H42 B Cl2 F4 Fe N Ni O3 P2 S2 -","- C43 H42 B Cl2 F4 Fe N Ni O3 P2 S2 -","- C86 H84 B2 Cl4 F8 Fe2 N2 Ni2 O6 P4 S4 -","2","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","","0.71073","MoKα","","0.0756","0.0567","","","0.1441","0.1575","","","","","","1.06","","","","has coordinates,has disorder","258005","2020-10-21","18:00:00",""
"7241154","17.8793","0.0011","11.0429","0.0005","22.4895","0.001","90","","108.615","0.006","90","","4208","0.4","293","2","293","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B Cl2 F4 Fe N Ni O P2 S2 -","- C42 H40 B Cl2 F4 Fe N Ni O P2 S2 -","- C168 H160 B4 Cl8 F16 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","x-ray","0.71073","MoKα","","0.0924","0.0712","","","0.1847","0.1987","","","","","","1.061","","","","has coordinates,has disorder","258005","2020-10-21","18:00:00",""
"7241155","7.0657","0.0006","8.1092","0.0006","15.0924","0.0012","83.519","0.001","85.919","0.001","67.302","0.001","792.32","0.11","150","2","150","","","","","","","","","7","P -1","-P 1","2","","tetrakis(m2-Acetato')-bis((4-cyanopyridine-N)-copper(ii)) 1,4-diiodo tetrafluorobenzene","","- C13 H10 Cu F2 I N2 O4 -","- C13 H10 Cu F2 I N2 O4 -","- C26 H20 Cu2 F4 I2 N4 O8 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0358","0.0259","","","0.0566","0.0602","","","","","","1.026","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241156","7.4","0.0005","15.2947","0.0009","30.1955","0.0017","90","","97.02","0.002","90","","3391.9","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene","","- C22 H20 Cu2 F8 I4 O10 -","- C22 H20 Cu2 F8 I4 O10 -","- C88 H80 Cu8 F32 I16 O40 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.1369","0.0889","","","0.1867","0.2115","","","","","","1.077","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241157","15.1477","0.0005","4.3981","0.0002","11.08","0.0004","90","","97.422","0.001","90","","731.98","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-diiodo-tetrafluorobenzene acetic acid solvate","","- C10 H8 F4 I2 O4 -","- C10 H8 F4 I2 O4 -","- C20 H16 F8 I4 O8 -","2","0.5","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0264","0.0221","","","0.0357","0.0367","","","","","","1.152","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241158","8.7053","0.0003","14.5425","0.0005","15.3896","0.0005","90.191","0.001","98.112","0.001","97.898","0.001","1909.97","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene methanol solvate","","- C24 H28 Cu2 F8 I4 O12 -","- C24 H28 Cu2 F8 I4 O12 -","- C48 H56 Cu4 F16 I8 O24 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0716","0.049","","","0.0911","0.0985","","","","","","1.039","","","","has coordinates,has disorder","255789","2020-10-21","18:00:00",""
"7241159","9.186","0.007","11.456","0.008","12.719","0.01","105.944","0.015","91.465","0.013","92.25","0.013","1285.1","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","1","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0626","0.0495","","","0.1516","0.1734","","","","","","1.131","","","","has coordinates,has disorder","255790","2020-10-21","18:00:00",""
"7241160","15.2249","0.0012","15.4358","0.0013","24.04","0.002","90","","90","","90","","5649.6","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H56 N16 O8 Zn4 -","- C50 H56 N16 O8 Zn4 -","- C200 H224 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0677","0.0465","","","0.1278","0.144","","","","","","1.228","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241161","15.2598","0.0012","16.0078","0.0013","24.0526","0.0019","90","","90","","90","","5875.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H64 N16 O8 Zn4 -","- C54 H64 N16 O8 Zn4 -","- C216 H256 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.092","0.055","","","0.1433","0.1743","","","","","","1.096","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241162","11.8105","0.0002","11.8159","0.0002","14.7854","0.0003","81.763","0.001","69.718","0.001","73.452","0.001","1852.96","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O13 Zn3 -","- C36 H34 N2 O13 Zn3 -","- C72 H68 N4 O26 Zn6 -","2","1","","Lin, Yuhan; Yu, Liang; Wang, Hao; Li, Jing","Enhanced Fluorescence by Increasing Dimensionality: A Novel Three-Dimensional Luminescent Metal-Organic Framework with Rigidified Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01092H","","","1.54178","CuKα","","0.0372","0.0347","","","0.1038","0.1065","","","","","","1.052","","","","has coordinates,has disorder","255791","2020-10-21","18:00:00",""
"7241163","13.7591","0.0006","13.7591","0.0006","24.7686","0.0015","90","","90","","90","","4689","0.4","120","2","120","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C28 H16 Ca2 O10.25 -","- C29 H16 Ca2 O9.44 -","- C116 H64 Ca8 O37.76 -","4","0.25","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","1.54178","CuKα","","0.1404","0.1211","","","0.3851","0.4089","","","","","","1.059","","","","has coordinates,has disorder","258130","2020-10-21","18:00:00",""
"7241164","15.6159","0.0006","21.5936","0.0008","28.5465","0.001","90","","102.488","0.001","90","","9398.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H32 N0 O16 Sr3 -","- C58 H32 O16 Sr3 -","- C232 H128 O64 Sr12 -","4","1","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.1144","0.0647","","","0.1632","0.1792","","","","","","1.03","","","","has coordinates,has disorder","258130","2020-10-21","18:00:00",""
"7241165","30.7615","0.0016","11.9378","0.0006","25.851","0.002","90","","122.448","0.001","90","","8011","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H34 Ba3 O17 -","- C58 H34 Ba3 O17 -","- C232 H136 Ba12 O68 -","4","0.5","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.0646","0.0397","","","0.0897","0.097","","","","","","1.048","","","","has coordinates","258130","2020-10-21","18:00:00",""
"7241166","12.4203","0.0006","22.333","0.0008","28.082","0.0012","90","","90","","90","","7789.5","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C58 H32 Ca4 O16 -","- C58 H32 Ca4 O16 -","- C232 H128 Ca16 O64 -","4","1","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.1054","0.0572","","","0.1402","0.1622","","","","","","1.003","","","","has coordinates","258130","2020-10-21","18:00:00",""
"7241167","9.3026","0.0008","17.5625","0.0014","11.3369","0.0009","90","","94.35","0.001","90","","1846.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N2 O17 Y2 -","- C28 H36 N2 O17 Y2 -","- C56 H72 N4 O34 Y4 -","2","0.5","","Liu, Hongyan; Liu, Yang; Meng, Yu; Shi, Xiaolei; Sun, Junshan; Zhao, Limin; Chen, Diming; Hao, Hongguo; Li, Dacheng; Dou, Jianmin; Han, Jun","Di-functional luminescent sensors based on Y3+ doped Eu3+ and Tb3+ coordination polymers: fast response and visible detection of Cr3+, Fe3+ ions in aqueous solutions and acetone","RSC Advances","2020","10","53","32232","32240","10.1039/D0RA06407F","","","0.71073","MoKα","","0.167","0.0938","","","0.2072","0.2286","","","","","","1.059","","","","has coordinates,has disorder","258003","2020-10-21","18:00:00",""
"7241168","8.7427","0.0006","11.4201","0.0007","12.4832","0.0009","82.935","0.006","73.455","0.007","75.613","0.006","1155.45","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 Br N O P S -","- C27 H19 Br N O P S -","- C54 H38 Br2 N2 O2 P2 S2 -","2","1","","Liu, Yang; Yao, Shijie; Wang, Chaoli; Zhang, Yahui; Hao, Wenyan","Copper(ii)-catalyzed tandem cyclization for the synthesis of benzo[d][1,3]thiazin-2-yl phosphonates involving C‒P and C‒S bond formation","RSC Advances","2020","10","53","32211","32215","10.1039/D0RA06671K","","x-ray","0.71073","MoKα","","0.0705","0.0465","","","0.1157","0.1287","","","","","","1.056","","","","has coordinates,has disorder","258006","2020-10-21","18:00:00",""
"7241169","13.3784","0.001","13.4372","0.001","22.8411","0.0017","79.854","0.004","86.664","0.004","82.954","0.003","4008.6","0.5","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H61 Cl6 Cu3 N6 O14 -","- C79 H61 Cl6 Cu3 N6 O14 -","- C158 H122 Cl12 Cu6 N12 O28 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1261","0.0922","","","0.2438","0.2673","","","","","","1.028","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241170","13.3854","0.0007","13.4317","0.0007","23.086","0.0012","79.506","0.003","86.899","0.003","84.385","0.002","4058.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H60 Br6 Cu3 N6 O14 -","- C79 H60 Br6 Cu3 N6 O14.1 -","- C158 H120 Br12 Cu6 N12 O28.2 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1711","0.0734","","","0.1959","0.2426","","","","","","1.058","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241171","11.3089","0.0017","15.195","0.002","26.307","0.004","90","","97.4256","0.0018","90","","4482.7","1.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C168 H312 N24 O24 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.0759","0.064","","","0.1736","0.1832","","","","","","1.054","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241172","15.7262","0.0007","15.2346","0.0007","11.2115","0.0005","90","","92.194","0.002","90","","2684.1","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.1255","0.0748","","","0.1963","0.2318","","","","","","1.026","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241173","15.254","0.005","14.838","0.005","11.247","0.003","90","","91.957","0.009","90","","2544.1","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2011","0.1075","","","0.2188","0.2732","","","","","","1.074","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241174","16.888","0.015","15.377","0.014","11.247","0.01","90","","103.204","0.01","90","","2843","4","360","2","360.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2911","0.1524","","","0.3827","0.4591","","","","","","1.281","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241175","14.6731","0.0011","15.3415","0.001","11.2315","0.0008","90","","108.98","0.003","90","","2390.8","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C84 H156 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.0804","0.0612","","","0.1815","0.2031","","","","","","1.033","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241176","11.4106","0.0003","12.2137","0.0003","20.5158","0.0006","87.203","0.002","76.153","0.002","70.627","0.002","2617.46","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 N8 O4 Zn2 -","- C55 H32 N8 O14 Zn2 -","- C110 H64 N16 O28 Zn4 -","2","1","","Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang","Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole","RSC Advances","2020","10","54","32490","32496","10.1039/D0RA05168C","","x-ray","1.54178","CuKα","","0.0841","0.0673","","","0.1809","0.1992","","","","","","1.04","","","","has coordinates","258131","2020-10-21","18:00:00",""
"7241177","8.8401","0.0002","15.7704","0.0003","16.9216","0.0005","90","","104.928","0.003","90","","2279.45","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O3 -","- C28 H18 N4 O3 -","- C112 H72 N16 O12 -","4","1","","Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang","Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole","RSC Advances","2020","10","54","32490","32496","10.1039/D0RA05168C","","x-ray","1.54184","CuKα","","0.0537","0.0431","","","0.1188","0.1309","","","","","","1.024","","","","has coordinates,has disorder","258131","2020-10-21","18:00:00",""
"7241178","9.934","0.002","8.36","0.002","23.571","0.006","90","","92.977","0.008","90","","1954.9","0.8","300","2","299.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","0.71073","MoKα","","0.1339","0.0609","","","0.1165","0.1396","","","","","","1.038","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241179","7.2706","0.0014","9.5902","0.0019","11.881","0.002","96.11","0.03","92.79","0.03","98.34","0.03","813.3","0.3","296.15","","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O2.5 -","- C18.5 H17 N4 O2.5 -","- C37 H34 N8 O5 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1332","0.0667","","","0.1582","0.2086","","","","","","1.025","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241180","7.101","0.0003","9.4938","0.0004","12.0005","0.0005","95.619","0.002","92.881","0.002","99.035","0.002","793.37","0.06","120.04","","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O3 -","- C18.5 H17 N4 O3 -","- C37 H34 N8 O6 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1395","0.0863","","","0.2049","0.2485","","","","","","1.089","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241181","28.153","0.005","7.245","0.0005","21.869","0.003","90","","120.14","0.01","90","","3857.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 N O8 Tb -","- C19 H11 N O8 Tb -","- C152 H88 N8 O64 Tb8 -","8","1","","Li, Zhang; Zhan, ZhiYing; Hu, Ming","A luminescent terbium coordination polymer as a multifunctional water-stable sensor for detection of Pb2+ ions, PO43- ions, Cr2O72- ions, and some amino acids","CrystEngComm","2020","","","","","10.1039/D0CE01101K","","","1.54184","CuKα","","0.0649","0.053","","","0.1464","0.1707","","","","","","1.081","","","","has coordinates","255888","2020-10-21","18:00:00",""
"7241182","7.8466","0.0002","9.8257","0.0003","20.3107","0.0007","90","","90","","90","","1565.92","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-methylhydantoin","1-methylimidazolidine-2,4-dione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C48 H72 N24 O24 -","12","3","","Nogueira, Bernardo Albuquerque; Milani, Alberto; Ogruc Ildiz, Gulce; Paixão, José; Castiglioni, Chiara; Fausto, Rui","Polymorphism in 1-Methylhydantoin: Investigation by Periodic DFT Calculations and Characterization of the Third Polymorph","CrystEngComm","2020","","","","","10.1039/D0CE01016B","","","0.71073","MoKα","","0.0598","0.0371","","","0.0829","0.0928","","","","","","1.045","","","","has coordinates","255909","2020-10-21","18:00:00",""
"7241183","11.8019","0.0001","5.804","","22.3747","0.0002","90","","90","","90","","1532.63","0.019","297","0.3","297","0.3","","","","","","","","5","P n a 21","P 2c -2n","33","","C18H15NO3S","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0287","0.0282","","","0.0724","0.0729","","","","","","1.067","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241184","26.8338","0.0004","5.8195","0.0001","11.9509","0.0002","90","","104.299","0.001","90","","1808.43","0.05","296.7","0.4","296.7","0.4","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0285","0.0283","","","0.082","0.0824","","","","","","1.082","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241185","8.1097","0.0012","14.367","0.0019","16.622","0.002","90","","98.194","0.002","90","","1916.9","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl F N O8 -","- C19 H15 Cl F N O8 -","- C76 H60 Cl4 F4 N4 O32 -","4","1","","Chen, Li; Huang, Rong; Li, Kun; Yun, Xing-Han; Yang, Chang-Long; Yan, Sheng-Jiao","An environmentally benign cascade reaction of chromone-3-carboxaldehydes with ethyl 2-(pyridine-2-yl)acetate derivatives for highly site-selective synthesis of quinolizines and quinolizinium salts in water","Green Chemistry","2020","22","20","6943","6953","10.1039/D0GC02460K","","","0.71073","MoKα","","0.0628","0.0431","","","0.1061","0.1193","","","","","","1.034","","","","has coordinates","258879","2020-11-06","12:33:30",""
"7241186","8.3108","0.0003","11.6756","0.0003","25.7039","0.0008","81.273","0.006","88.301","0.006","83.153","0.006","2447.51","0.14","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H33 N4 O10 P -","- C20 H33 N4 O10 P -","- C80 H132 N16 O40 P4 -","4","2","","Ma, Su; Kurihara, Seiji; Tomimori, Yasuhiro; Kim, Sunnam; Kwon, Eunsang; Muramatsu, Atsushi; Kanie, Kiyoshi","Self-assembly of photoresponsive azo-containing phospholipids with a polar group as the tail","RSC Advances","2020","10","54","32984","32991","10.1039/D0RA06803A","","x-ray","1.54187","CuKα","","0.1871","0.106","","","0.2386","0.2852","","","","","","0.914","","","","has coordinates","258129","2020-10-21","18:00:00",""
"7241187","12.8756","0.0006","17.0258","0.0007","14.8329","0.0008","90","","101.033","0.005","90","","3191.5","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O16 Zn3 -","- C29 H26 N2 O16 Zn3 -","- C116 H104 N8 O64 Zn12 -","4","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0456","0.0343","","","0.0796","0.0837","","","","","","1.04","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241188","10.2531","0.0002","12.2578","0.0003","15.779","0.0004","101.524","0.002","92.146","0.002","102.223","0.002","1892.49","0.08","105","3","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 I0.52 O14 Zn3 -","- C23 H12 I0.5231 O14 Zn3 -","- C46 H24 I1.0462 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0503","0.0408","","","0.1174","0.1217","","","","","","1.078","","","","has coordinates","256210","2020-10-21","18:00:00",""
"7241189","10.12","0.0005","12.3807","0.0006","15.6793","0.0008","79.3","0.001","87.854","0.002","75.715","0.001","1870.59","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H12 O14 Zn3 -","- C23 H12 O14 Zn3 -","- C46 H24 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0628","0.0443","","","0.1028","0.1084","","","","","","1.043","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241190","17.6198","0.0004","11.9264","0.0003","14.1457","0.0004","90","","90","","90","","2972.59","0.13","293","2","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C23 H18 O17 Zn3 -","- C23 H18 O17 Zn3 -","- C46 H36 O34 Zn6 -","2","0.5","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0528","0.0381","","","0.087","0.0928","","","","","","1.001","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241191","6.1202","0.0005","6.1202","0.0005","3.6957","0.0003","90","","90","","120","","119.883","0.017","173","2","173","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi F3 H2 O -","- Bi F3 H2.0004 O -","- Bi2 F6 H4.0008 O2 -","2","0.166667","","Liu, Xian; Yang, Can; Wu, Qi; Sun, Juan; Liang, Fei","From BiF3 to BiF3·H2O: Diverse Bi(Ⅲ) Coordination for Structural Transformation and Birefringence Regulation","CrystEngComm","2020","","","","","10.1039/D0CE01213K","","","0.71073","MoKα","","0.0419","0.0371","","","0.0878","0.0921","","","","","","1.298","","","","has coordinates","256237","2020-10-21","18:00:00",""
"7241192","14.865","0.002","15.836","0.003","19.119","0.003","84.748","0.004","89.922","0.004","87.094","0.004","4476","1.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H50 Cd4 N10 O22 -","- C82 H50 Cd4 N8 O22 -","- C164 H100 Cd8 N16 O44 -","2","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.1267","0.0675","","","0.1607","0.187","","","","","","1.031","","","","has coordinates","256238","2020-10-21","18:00:00",""
"7241193","11.6552","0.0004","14.9367","0.0007","19.7696","0.0008","90","","102.314","0.001","90","","3362.5","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cd2 N4 O11 -","- C35 H22 Cd2 N4 O11 -","- C140 H88 Cd8 N16 O44 -","4","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.0536","0.043","","","0.0834","0.0865","","","","","","1.147","","","","has coordinates,has disorder","256238","2020-10-21","18:00:00",""
"7241194","9.8032","0.0004","18.8923","0.0008","22.6814","0.0007","90","","90","","90","","4200.7","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O8 Zn -","- C22 H20 N2 O8 Zn -","- C176 H160 N16 O64 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.1015","0.0768","","","0.2002","0.224","","","","","","1.039","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241195","12.2574","0.0006","13.4329","0.0006","18.4947","0.0008","90","","94.667","0.002","90","","3035.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 O12 Zn2 -","- C10 H15.5 O12 Zn2 -","- C80 H124 O96 Zn16 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0484","0.0348","","","0.0775","0.0837","","","","","","1.06","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241196","8.1309","0.0009","11.1211","0.0011","12.0204","0.0011","82.746","0.008","82.652","0.008","83.543","0.008","1064.25","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N3 O9 Zn -","- C20 H25 N3 O9 Zn -","- C40 H50 N6 O18 Zn2 -","2","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0556","0.0468","","","0.1098","0.1167","","","","","","1.046","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241197","8.6953","0.0014","10.2001","0.0011","16.7973","0.0018","90","","104.53","0.012","90","","1442.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O8 Zn2 -","- C15 H12 N O8 Zn2 -","- C60 H48 N4 O32 Zn8 -","4","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0445","0.0314","","","0.0655","0.0682","","","","","","0.906","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241198","25.1315","0.0006","11.8428","0.0003","15.9866","0.0003","90","","90","","90","","4758.05","0.19","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 N2 O4 Zn -","- C20 H20 N2 O4 Zn -","- C160 H160 N16 O32 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0697","0.0617","","","0.1989","0.2106","","","","","","1.059","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241199","15.252","0.004","11.926","0.002","10.272","0.004","90","","108.83","0.03","90","","1768.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C72 H56 Br8 N8 O16 -","4","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0499","0.0429","","","0.1098","0.1158","","","","","","1.031","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241200","10.026","0.002","10.281","0.002","10.526","0.002","110.26","0.02","92.56","0.02","113.13","0.02","915.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 I2 N2 O4 -","- C18 H14 I2 N2 O4 -","- C36 H28 I4 N4 O8 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0205","0.0193","","","0.0531","0.0541","","","","","","1.067","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241201","7.792","0.004","9.705","0.003","9.938","0.005","94.41","0.04","106.41","0.05","110.28","0.03","663.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C30 H26 Br2 N4 O4 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0295","0.0259","","","0.0544","0.0556","","","","","","1.047","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241202","12.9799","0.0006","12.19","0.0007","15.9375","0.0008","90","","102.703","0.005","90","","2460","0.2","100","","100","","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","[Tbu]ASC","","- C43 H68 N10 O8 S2 -","- C43 H68 N10 O8 S2 -","- C86 H136 N20 O16 S4 -","2","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","1.54178","CuKα","","0.1108","0.0993","","","0.2545","0.2599","","","","","","0.858","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241203","15.917","0.003","12.1964","0.0019","12.962","0.002","90","","102.303","0.002","90","","2458.5","0.7","240","2","240","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","cyclo(Tle-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).DMF","","- C42 H66 N10 O8 S2 -","- C42 H66 N10 O8 S2 -","- C84 H132 N20 O16 S4 -","2","0.5","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.1005","0.0962","","","0.2606","0.2644","","","","","","1.153","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241204","12.9682","0.0009","12.9682","0.0009","30.798","0.003","90","","90","","90","","5179.4","0.7","200","2","200","2","","","","","","","synthesis","5","P 41","P 4w","76","","cyclo(Chg-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).H2O.2DMA","","- C46 H74 N10 O9 S2 -","- C46 H74 N10 O9 S2 -","- C184 H296 N40 O36 S8 -","4","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.0907","0.0799","","","0.2149","0.2243","","","","","","1.034","","","","has coordinates","257992","2020-10-21","18:00:00",""
"7241205","27.1581","0.0011","27.1581","0.0011","10.8428","0.0005","90","","90","","90","","7997.2","0.6","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H14 O5 Pb2 -","- C22 H14 O5 Pb2 -","- C352 H224 O80 Pb32 -","16","1","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0621","0.0696","","","","","","1.142","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241206","30.3539","0.0011","10.9884","0.0004","30.8061","0.0011","90","","113.913","0.0013","90","","9393.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 O10 Pb4 -","- C52 H36 O10 Pb4 -","- C416 H288 O80 Pb32 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","1.54178","CuKα","","0.0309","0.0271","","","0.0624","0.0644","","","","","","1.077","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241207","11.0324","0.0008","50.385","0.004","16.6466","0.0014","90","","96.0445","0.0016","90","","9201.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C416 H288 O80 Pb32 -","16","4","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0627","0.0387","","","0.0818","0.0929","","","","","","1.034","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241208","35.3686","0.0018","10.869","0.0005","27.3181","0.0013","90","","127.839","0.0016","90","","8293.5","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C176 H112 O41.42 Pb16 -","- C176 H114.488 O41.244 Pb16 -","- C352 H228.976 O82.488 Pb32 -","2","0.25","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0275","0.0235","","","0.0528","0.0541","","","","","","1.123","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241209","21.255","0.003","21.255","0.003","10.872","0.0008","90","","90","","90","","4911.7","1","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C208 H144 O40 Pb16 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0623","0.0335","","","0.068","0.0746","","","","","","0.956","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241210","13.6803","0.0013","13.8392","0.0013","14.6811","0.0015","101.399","0.002","99.384","0.002","116.889","0.002","2326.6","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cd1.5 N5 O9 -","- C42 H40 Cd1.5 N5 O9 -","- C84 H80 Cd3 N10 O18 -","2","1","","Wang, Xiuli; Liu, Yu; Lin, Hongyan; Xu, Na; Liu, Guocheng; Wang, Xiang; Chang, Zhi-Han; Li, Jianrong","A novel cadmium metal-organic framework-based multiresponsive fluorescent sensor demonstrating the outstanding sensitivities and selectivities for detecting NB, Fe3+ ions and Cr2O72− anions","CrystEngComm","2020","","","","","10.1039/D0CE01139H","","x-ray","0.71073","MoKα","","0.0638","0.0402","","","0.0905","0.1002","","","","","","1.047","","","","has coordinates","256336","2020-10-21","18:00:00",""
"7241211","9.8569","0.0008","18.7251","0.0016","16.023","0.0014","90","","98.831","0.003","90","","2922.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0384","0.0289","","","0.066","0.0705","","","","","","1.053","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241212","10.0292","0.0004","11.1247","0.0005","15.8806","0.0007","92.7397","0.0015","90.0977","0.0014","104.7","0.0013","1711.7","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 Ni O9 -","- C30 H26 N4 Ni O9 -","- C60 H52 N8 Ni2 O18 -","2","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0754","0.0629","","","0.1713","0.1803","","","","","","1.076","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241213","21.5344","0.0003","10.2575","0.0001","18.2419","0.0002","90","","95.4191","0.0006","90","","4011.43","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N2 O5 Zn -","- C21 H19 N2 O5 Zn -","- C168 H152 N16 O40 Zn8 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0429","0.0353","","","0.0885","0.0927","","","","","","1.057","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241214","14.5085","0.0005","16.3024","0.0005","15.659","0.0005","90","","113.583","0.002","90","","3394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N4 Ni O9 -","- C33 H38 N4 Ni O9 -","- C132 H152 N16 Ni4 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.1395","0.0694","","","0.1721","0.2023","","","","","","1.012","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241215","31.829","0.003","9.6745","0.001","25.802","0.003","90","","110.736","0.006","90","","7430.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 N6 Ni O11.5 -","- C39 H42 N6 Ni O11.5 -","- C312 H336 N48 Ni8 O92 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0775","0.0524","","","0.1265","0.1394","","","","","","1.032","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241216","17.14","0.003","18.38","0.003","12.352","0.002","90","","103.53","0.003","90","","3783.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4d","","- C37 H39 N O5 S -","- C37 H39 N O5 S -","- C148 H156 N4 O20 S4 -","4","1","","Wang, Junwei; Pan, Xiang; Rong, Quanjin; Zhao, Lei; Zhao, Lin; Dai, Weichen; Zhao, Kun; Hu, Lihong","One-pot synthesis of indoles and quinolinones from ortho-tosylaminophenyl-substituted para-quinone methides","RSC Advances","2020","10","55","33455","33460","10.1039/D0RA05497F","","","0.71073","MoKα","","0.0678","0.048","","","0.1392","0.1553","","","","","","1.047","","","","has coordinates","257991","2020-10-21","18:00:00",""
"7241217","9.4365","0.0005","9.6809","0.0007","20.5558","0.0011","89.393","0.003","88.231","0.003","74.156","0.003","1805.64","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N S2 -","- C21 H14 Br N S2 -","- C84 H56 Br4 N4 S8 -","4","2","","Qi, Liang; Liu, Shiwen; Xiao, Linxia","Regio- and stereoselective thiocyanatothiolation of alkynes and alkenes by using NH4SCN and N-thiosuccinimides","RSC Advances","2020","10","55","33450","33454","10.1039/D0RA06913B","","","0.71073","MoKα","","0.0927","0.0537","","","0.1525","0.1764","","","","","","0.984","","","","has coordinates","257990","2020-10-21","18:00:00",""
"7241218","24.293","0.008","24.293","0.008","9.537","0.005","90","","90","","120","","4874","3","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C132 H123 Mn18 N18 O73 -","- C132 H108 Mn18 N18 O66 -","- C132 H108 Mn18 N18 O66 -","1","0.166667","","Li, Ning-Fang; Han, Ye-Min; Li, Jia-Nian; Cao, Jia-Peng; Du, Ze-Yu; Xu, Yan","Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect","RSC Advances","2020","10","56","33628","33634","10.1039/D0RA05926A","","","0.71073","MoKα","","0.0459","0.0365","","","0.1071","0.1114","","","","","","1.081","","","","has coordinates,has disorder","258020","2020-10-21","18:00:00",""
"7241219","15.513","0.002","10.486","0.002","22.374","0.004","90","","107.311","0.003","90","","3474.7","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 Mn6 N8 O27 -","- C62 H58 Mn6 N8 O27 -","- C124 H116 Mn12 N16 O54 -","2","0.25","","Li, Ning-Fang; Han, Ye-Min; Li, Jia-Nian; Cao, Jia-Peng; Du, Ze-Yu; Xu, Yan","Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect","RSC Advances","2020","10","56","33628","33634","10.1039/D0RA05926A","","","0.71073","MoKα","","0.0308","0.0268","","","0.067","0.0692","","","","","","1.037","","","","has coordinates,has disorder","258020","2020-10-21","18:00:00",""
"7241220","7.7192","0.0003","18.9505","0.0007","19.3675","0.0012","90","","98.008","0.005","90","","2805.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H14 Cd N0 O8 -","- C10.5 H14 Cd O8 -","- C84 H112 Cd8 O64 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.066","0.0541","","","0.1446","0.1546","","","","","","1.068","","","","has coordinates,has disorder","256372","2020-10-21","18:00:00",""
"7241221","9.7846","0.0006","15.8653","0.001","16.2608","0.0014","65.276","0.007","83.245","0.006","73.817","0.005","2202","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Br4 N4 Ni2 O13 -","- C41 H34 Br4 N4 Ni2 O13 -","- C82 H68 Br8 N8 Ni4 O26 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1229","0.065","","","0.1547","0.1908","","","","","","1.003","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241222","8.3958","0.0008","12.1818","0.0011","15.1802","0.0014","102.597","0.008","95.828","0.008","94.332","0.008","1499.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 Ni O12 -","- C31 H30 N2 Ni O12 -","- C62 H60 N4 Ni2 O24 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1395","0.0721","","","0.1714","0.2108","","","","","","0.876","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241223","14.8925","0.0019","11.1228","0.0013","18.0572","0.0018","90","","91.812","0.01","90","","2989.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H15 Cd0 Co0.5 N O6 -","- C15.5 H15 Co0.5 N O6 -","- C124 H120 Co4 N8 O48 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.063","0.0464","","","0.109","0.1188","","","","","","1.034","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241224","9.61101","0.00018","10.7261","0.0002","15.5952","0.0003","90","","90","","90","","1607.69","0.05","296.63","0.16","296.63","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.0748","0.0726","","","0.1591","0.164","","","","","","1.115","","","","has coordinates","258882","2020-11-06","12:34:04",""
"7241225","8.4921","0.0002","13.5753","0.0004","15.0981","0.0005","90","","90","","90","","1740.55","0.09","295.88","0.16","295.88","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.069","0.0666","","","0.1623","0.1667","","","","","","1.116","","","","has coordinates","258882","2020-11-06","12:34:05",""
"7241226","8.352","0.0009","5.7066","0.0006","22.623","0.002","90","","91.45","0.003","90","","1077.9","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C44 H48 O20 -","- C44 H48 O20 -","- C44 H48 O20 -","1","0.5","","Wang, Pei-Long; Shen, Hui-Zhi; Cheng, Hui-Hui; Gao, Hui; Li, Pin-Hua","Electrochemical esterification reaction of alkynes with diols via cleavage of carbon‒carbon triple bonds without catalyst and oxidant","Green Chemistry","2020","22","20","6783","6791","10.1039/D0GC02193H","","","0.71073","MoKα","","0.0594","0.045","","","0.135","0.1507","","","","","","0.961","","","","has coordinates","258876","2020-11-06","12:32:51",""
"7241227","8.7517","0.0001","11.7055","0.0001","19.7505","0.0002","90","","101.925","0.001","90","","1979.64","0.04","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","111","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C88 H84 N4 O16 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.0399","0.0355","","","0.0997","0.1028","","","","","","1.067","","","","has coordinates","258878","2020-11-06","12:33:20",""
"7241228","13.9122","0.001","12.1203","0.0009","14.5292","0.0011","90","","103.724","0.008","90","","2380","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N O5 S -","- C23 H25 Cl2 N O5 S -","- C92 H100 Cl8 N4 O20 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.0739","0.0436","","","0.1083","0.1263","","","","","","1.035","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241229","10.7314","0.0018","10.99","0.002","12.275","0.003","71.712","0.017","69.196","0.017","68.46","0.016","1230.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl2 N O4 S -","- C24 H25 Cl2 N O4 S -","- C48 H50 Cl4 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1394","0.0668","","","0.1672","0.2251","","","","","","1.017","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241230","9.5153","0.001","17.8775","0.0017","24.2427","0.0018","90","","90","","90","","4123.9","0.7","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C176 H168 N8 O48 S8 -","8","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.095","0.0491","","","0.1199","0.1584","","","","","","1.025","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241231","12.239","0.005","19.008","0.007","20.975","0.008","90","","100.52","0.006","90","","4798","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C192 H228 N12 O24 S12 -","12","3","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","","0.71073","MoKα","","0.231","0.1242","","","0.3124","0.3852","","","","","","1.103","","","","has coordinates,has disorder","258878","2020-11-06","12:33:21",""
"7241232","12.0121","0.0017","9.9422","0.0014","15.9636","0.0019","90","","99.105","0.013","90","","1882.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1209","0.0608","","","0.1178","0.1489","","","","","","0.926","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241233","11.9374","0.0002","18.7941","0.0002","16.6525","0.0002","90","","95.525","0.001","90","","3718.68","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.0626","0.0567","","","0.1762","0.1827","","","","","","1.099","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241234","9.0842","0.0012","11.168","0.0014","11.3556","0.0013","108.185","0.011","106.055","0.011","109.685","0.012","932","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O4 S -","- C19 H23 N O4 S -","- C38 H46 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1322","0.0743","","","0.2022","0.2594","","","","","","1.036","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241235","9.489","0.002","10.341","0.002","12.078","0.003","75.859","0.003","82.328","0.003","69.425","0.003","1074.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","qq","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C40 H46 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","","0.71073","MoKα","","0.0843","0.0513","","","0.1276","0.1449","","","","","","1.032","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241236","4.9632","0.0001","9.9037","0.0003","33.603","0.0009","90","","90","","90","","1651.72","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.058","0.0466","","","0.1096","0.119","","","","","","1.061","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241237","28.8618","0.0014","7.5904","0.0004","14.3121","0.0007","90","","104.306","0.0007","90","","3038.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N5 O5 S2 -","- C11 H13 N5 O5 S2 -","- C88 H104 N40 O40 S16 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L.","Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods.","Physical chemistry chemical physics : PCCP","2020","22","36","20867","20879","10.1039/d0cp02700f","","","0.71073","MoKα","","0.0339","0.0288","","","0.0786","0.0824","","","","","","1.043","","","","has coordinates","258987","2020-11-06","13:19:54",""
"7241238","7.7293","0.0017","10.047","0.002","10.55","0.003","114.942","0.003","91.849","0.002","95.634","0.003","736.8","0.3","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","1","0.5","","Tong, Wenchao; Bian, Mei; Feng, Yongan; Zhang, Tonglai; Hu, Shuangqi; Yang, Li","A Highly Stable Octa-coordinated Energetic Complex","CrystEngComm","2020","","","","","10.1039/D0CE01008A","","","0.71073","MoKα","","0.0325","0.0285","","","0.0673","0.0692","","","","","","0.9992","","","","has coordinates","256415","2020-10-21","18:00:00",""
"7241239","9.5893","0.0002","14.2652","0.0005","15.8257","0.0005","104.318","0.003","104.565","0.003","103.319","0.003","1928.87","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O3 -","- C21 H24 N4 O3 -","- C84 H96 N16 O12 -","4","2","","Said, Awad I.; Palkó, Márta; Haukka, Matti; Fülöp, Ferenc","Retro Diels Alder protocol for regioselective synthesis of novel [1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-ones","RSC Advances","2020","10","56","33937","33943","10.1039/D0RA04345A","","","0.71073","MoKα","","0.0714","0.0492","","","0.1219","0.1363","","","","","","1.03","","","","has coordinates","258021","2020-10-21","18:00:00",""
"7241240","15.9134","0.0001","8.3868","0.0001","16.4808","0.0001","90","","113.86","0.001","90","","2011.59","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C96 H84 N20 O8 -","4","1","","Said, Awad I.; Palkó, Márta; Haukka, Matti; Fülöp, Ferenc","Retro Diels Alder protocol for regioselective synthesis of novel [1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-ones","RSC Advances","2020","10","56","33937","33943","10.1039/D0RA04345A","","","1.54184","CuKα","","0.039","0.0373","","","0.0978","0.0996","","","","","","1.031","","","","has coordinates","258021","2020-10-21","18:00:00",""
"7241241","14.764","0.003","14.966","0.003","16.677","0.004","67.348","0.007","79.935","0.007","78.053","0.009","3308.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H77 N O8 S4 -","- C75 H77 N O8 S4 -","- C150 H154 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1783","0.0837","","","0.1458","0.1832","","","","","","0.932","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241242","10.5051","0.0014","13.538","0.002","22.658","0.003","77.015","0.007","88.249","0.008","88.725","0.009","3138.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H72 O8 S4 -","- C72 H72 O8 S4 -","- C144 H144 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.2843","0.0859","","","0.1079","0.1552","","","","","","0.891","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241243","14.8427","0.0007","14.9332","0.0007","17.2153","0.0008","68.192","0.001","81.105","0.001","74.912","0.001","3413.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H78 O9 S4 -","- C74 H78 O9 S4 -","- C148 H156 O18 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1597","0.0729","","","0.1867","0.2339","","","","","","1.034","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241244","14.832","0.0013","14.9045","0.0014","17.2172","0.0014","68.262","0.004","81.191","0.004","74.94","0.004","3407.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H75 N O8 S4 -","- C74 H75 N O8 S4 -","- C148 H150 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1936","0.0784","","","0.2043","0.2788","","","","","","0.985","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241245","7.2703","0.0013","9.7597","0.0017","11.424","0.002","104.565","0.015","103.831","0.015","99.589","0.014","739.3","0.2","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","<i>catena</i>-[aqua(<i>μ</i>~3~-thiophene-2-acetato-κ^4^O:O,O?:O?)\ (thiophene-2-acetato-κ^2^O,O?)lead(II)]","","- C12 H12 O5 Pb S2 -","- C12 H12 O5 Pb S2 -","- C24 H24 O10 Pb2 S4 -","2","1","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.0307","0.0281","","","0.0727","0.075","","","","","","1.081","","","","has coordinates","256445","2020-10-21","18:00:00",""
"7241246","16.8469","0.0018","10.3757","0.0007","7.8131","0.0009","90","","101.473","0.009","90","","1338.4","0.2","120","","120","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-[bis(<i>μ</i>~2~-thiophene-3-acetato-κ^3^O:O,O?)lead(II)]","","- C12 H10 O4 Pb S2 -","- C12 H10 O4 Pb S2 -","- C48 H40 O16 Pb4 S8 -","4","0.5","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.04","0.0397","","","0.1062","0.1065","","","","","","1.123","","","","has coordinates,has disorder","256445","2020-10-21","18:00:00",""
"7241247","18.5851","0.0015","10.793","0.0009","8.4692","0.0007","90","","109.727","0.0015","90","","1599.1","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H8 Mn N2 O6 -","- C32 H64 Mn8 N16 O48 -","8","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0465","0.0369","","","0.0982","0.1342","","","","","","1.085","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241248","11.2775","0.0016","10.9894","0.0016","8.5532","0.0012","90","","92.916","0.002","90","","1058.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cd N3 O5 -","- C7 H11 Cd N3 O5 -","- C28 H44 Cd4 N12 O20 -","4","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0244","0.0204","","","0.0424","0.0433","","","","","","1.122","","","","has coordinates,has disorder","256446","2020-10-21","18:00:00",""
"7241249","5.4281","0.0008","12.4749","0.0018","9.1341","0.0014","90","","98.476","0.003","90","","611.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cu N4 O8 -","- C8 H10 Cu N4 O8 -","- C16 H20 Cu2 N8 O16 -","2","0.5","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0406","0.0315","","","0.0871","0.1098","","","","","","1.021","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241250","9.13","0.0018","10.29","0.002","17.5","0.004","90.56","0.03","91.12","0.03","108.32","0.03","1560.2","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","0.71073","Synchrotron","","0.1136","0.0664","","","0.1598","0.1841","","","","","","1.024","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241251","10.98","0.0003","12.1273","0.0003","15.692","0.0004","73.885","0.002","80.363","0.002","84.052","0.002","1975.47","0.09","100","0.1","100","0.02","","","","","","","","6","P 1","P 1","1","","","","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.1024","0.088","","","0.2359","0.2544","","","","","","1.03","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241252","9.2097","0.0002","11.1836","0.0001","17.0964","0.0001","85.672","0.001","82.69","0.001","83.417","0.001","1731.75","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54178","CuKα","","0.0723","0.0685","","","0.1871","0.1913","","","","","","1.08","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241253","15.27","0.0002","15.7368","0.0001","17.1187","0.0002","88.158","0.001","75.094","0.001","86.414","0.001","3966.88","0.08","100","0.1","100","0.02","","","","","","","","5","P 1","P 1","1","","","","- C19 H16 Co0.5 N2 O3 -","- C19 H16 Co0.5 N2 O3 -","- C152 H128 Co4 N16 O24 -","8","8","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.0713","0.0659","","","0.1796","0.185","","","","","","1.047","","","","has coordinates","256485","2020-10-21","18:00:00",""
"7241254","13.543","0.0002","16.3848","0.0003","16.6552","0.0003","90","","102.594","0.0019","90","","3606.85","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0431","0.0354","","","0.067","0.0696","","","","","","1.13","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241255","11.5148","0.0003","18.1689","0.0005","29.3477","0.0012","90","","91.157","0.003","90","","6138.6","0.3","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 I6 S10 -","- C16 H8 I6 S10 -","- C128 H64 I48 S80 -","8","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.1726","0.0979","","","0.1593","0.1835","","","","","","1.099","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241256","10.2097","0.0006","10.9057","0.0006","17.3954","0.0012","90.663","0.005","102.294","0.006","93.878","0.005","1887.5","0.2","150.01","0.1","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 I6 S12 -","- C24 H14 I6 S12 -","- C48 H28 I12 S24 -","2","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0828","0.062","","","0.0948","0.1011","","","","","","1.177","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241257","13.6688","0.0003","16.1393","0.0004","17.049","0.0004","90","","105.18","0.002","90","","3629.86","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0641","0.0492","","","0.111","0.1181","","","","","","1.108","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241258","11.8075","0.0002","14.6651","0.0003","16.9675","0.0003","92.604","0.002","106.484","0.002","107.727","0.002","2655.43","0.1","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 I3 S10 -","- C16 H10 I3 S10 -","- C64 H40 I12 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0523","0.0399","","","0.0826","0.0887","","","","","","1.078","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241259","9.0576","0.001","28.632","0.002","10.5799","0.001","90","","100.212","0.01","90","","2700.3","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H10 I4 S10 -","- C16 H10 I4 S10 -","- C64 H40 I16 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0858","0.0718","","","0.1521","0.1608","","","","","","1.107","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241260","8.7799","0.0012","8.7799","0.0012","8.193","0.002","90","","90","","120","","546.96","0.17","273","2","273.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0573","0.0413","","","0.0946","0.1002","","","","","","1.2","","","","has coordinates","256513","2020-10-21","18:00:00",""
"7241261","8.9303","0.0006","14.691","0.0009","7.979","0.0005","90","","95.994","0.004","90","","1041.08","0.12","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H0.25 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","2","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0969","0.0717","","","0.1793","0.194","","","","","","1.037","","","","has coordinates","256514","2020-10-21","18:00:00",""
"7241262","9.8149","0.0004","9.9853","0.0004","15.1587","0.0006","84.234","0.003","78.977","0.004","80.518","0.003","1434.64","0.1","150","0.1","150","0.1","","","","","","","slow evaporation from a methanol solution","3","P -1","-P 1","2","","2-Cyano-3-(6?-(dimethylamino)-1?,2?-dihydroacenaphthylen-5?-yl)propenenitrile","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.098","0.0575","","","0.1157","0.1393","","","","","","1.011","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241263","44.3599","0.0014","22.7723","0.0006","7.0406","0.0004","90","","90","","90","","7112.3","0.5","150.01","0.1","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0464","0.0411","","","0.0822","0.0843","","","","","","1.079","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241264","44.405","0.002","22.8205","0.0011","7.0822","0.0007","90","","90","","90","","7176.7","0.9","200","0.1","200","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0535","0.0463","","","0.091","0.0944","","","","","","1.092","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241265","8.6923","0.0003","12.6464","0.0005","12.8192","0.0005","81.716","0.003","77.638","0.003","78.624","0.003","1341.8","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8?-(dimethylamino)-4?,5?-diphenylnaphthalen-1?-yl)propenenitrile","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.092","0.0727","","","0.1296","0.1377","","","","","","1.153","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241266","44.6586","0.0017","22.6565","0.0007","6.8837","0.0004","90","","90","","90","","6965","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0389","0.0357","","","0.0751","0.0764","","","","","","1.097","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241267","48.482","0.0018","22.8029","0.0009","6.746","0.0003","90","","90","","90","","7457.9","0.5","260","2","260","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-propenoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0965","0.06","","","0.0921","0.107","","","","","","1.054","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241268","48.2476","0.0011","22.8006","0.0006","6.6691","0.0002","90","","90","","90","","7336.5","0.3","150","2","150","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-prop-enoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0412","0.0351","","","0.0753","0.078","","","","","","1.048","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241269","20.777","0.0007","9.3348","0.0002","18.1408","0.0006","90","","114.584","0.004","90","","3199.46","0.19","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyano-3-(4?-,8?-bis(dimethylamino)naphthalen-1?-yl)propenenitrile","","- C18 H18 N4 -","- C18 H18 N4 -","- C144 H144 N32 -","8","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0843","0.0637","","","0.1268","0.1364","","","","","","1.081","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241270","8.6964","0.0008","9.2214","0.0007","10.4886","0.0008","102.971","0.007","101.832","0.007","113.041","0.008","712.9","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0656","0.0472","","","0.1024","0.1135","","","","","","1.044","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241271","9.319","0.0005","11.543","0.0007","19.5648","0.0012","90","","90.064","0.003","90","","2104.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 Cocrystal of Olanzapine and Resorcinol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C92 H104 N16 O8 S4 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0474","0.0375","","","0.1201","0.129","","","","","","1.008","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241272","25.972","0.005","9.1477","0.0016","19.595","0.004","90","","107.679","0.008","90","","4435.6","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1 Cocrystal of Olanzapine and Catechol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C184 H208 N32 O16 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1764","0.0873","","","0.215","0.2331","","","","","","1.153","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241273","9.0547","0.0018","10.719","0.002","14.236","0.003","80.86","0.005","82.955","0.006","84.355","0.006","1349.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C29 H32 N4 O2 S -","- C29 H32 N4 O2 S -","- C58 H64 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1595","0.0786","","","0.1527","0.1871","","","","","","1.059","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241274","9.3159","0.0003","10.3802","0.0004","15.0112","0.0005","96.2211","0.0014","90.7786","0.0013","98.187","0.0013","1427.72","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and pXylene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0504","0.0404","","","0.0931","0.0982","","","","","","1.037","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241275","9.1116","0.0005","10.7195","0.0007","15.8385","0.0009","88.452","0.002","87.7422","0.0017","82.8273","0.0019","1533.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:2 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C35 H38 N4 O2 S -","- C35 H38 N4 O2 S -","- C70 H76 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0409","0.0362","","","0.0928","0.0963","","","","","","1.051","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241276","28.1714","0.0017","12.6444","0.0007","14.0673","0.0008","90","","104.397","0.0019","90","","4853.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1:1:2 Cocrystal of Olanzapine, Hydroquinone, pXylene and Water","","- C24 H32 N4 O3 S -","- C24 H32 N4 O3 S -","- C192 H256 N32 O24 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0361","0.0329","","","0.0837","0.0864","","","","","","1.028","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241277","9.2694","0.0012","10.3353","0.0013","14.9174","0.0019","89.159","0.004","86.632","0.004","82.387","0.004","1414","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Ethylbenzene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0957","0.0559","","","0.1115","0.127","","","","","","1.031","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241278","13.24395","0.00006","15.4088","0.00009","18.44394","0.00011","90","","90.3886","0.0005","90","","3763.83","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H80 N6 O6 -","- C94 H80 N6 O6 -","- C188 H160 N12 O12 -","2","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0384","0.0367","","","0.0996","0.1012","","","","","","1.05","","","","has coordinates","259628","2020-12-06","14:55:12",""
"7241279","13.94016","0.00011","20.05398","0.00018","23.6535","0.0002","90","","90","","90","","6612.47","0.1","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H51 N6 O6 -","- C66 H51 N6 O6 -","- C264 H204 N24 O24 -","4","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0488","0.0443","","","0.1174","0.1209","","","","","","1.042","","","","has coordinates,has disorder","259628","2020-12-06","14:55:12",""
"7241280","15.6247","0.0001","16.1764","0.0001","27.9001","0.0002","90","","97.4931","0.0007","90","","6991.57","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H72 N6 O6 -","- C87 H72 N6 O6 -","- C348 H288 N24 O24 -","4","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0521","0.0443","","","0.1195","0.125","","","","","","1.027","","","","has coordinates,has disorder","259628","2020-12-06","14:55:12",""
"7241281","15.6867","0.0016","14.8573","0.0015","18.9889","0.0019","90","","93.799","0.004","90","","4415.9","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H28 Mn2 N4 O12 -","- C41 H28 Mn2 N4 O12 -","- C164 H112 Mn8 N16 O48 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.0577","0.0403","","","0.0994","0.1067","","","","","","1.035","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241282","13.2419","0.0007","15.4637","0.0007","18.8598","0.0009","90","","107.908","0.002","90","","3674.8","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Mn2 N2 O14 -","- C29 H28 Mn2 N2 O14 -","- C116 H112 Mn8 N8 O56 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.1422","0.0685","","","0.1391","0.1636","","","","","","1.005","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241283","9.6149","0.0001","13.0783","0.0001","23.3712","0.0003","90","","90","","90","","2938.85","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.5 H6 N12 O13 -","- C6.5 H6 N12 O13 -","- C52 H48 N96 O104 -","8","1","","Zharkov, Mikhail; Kuchurov, Ilya; Zlotin, Sergei Grigorievich","Micronization of CL-20 using supercritical and liquefied gases","CrystEngComm","2020","","","","","10.1039/D0CE01167C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0733","0.0762","","","","","","1.102","","","","has coordinates","256611","2020-10-21","18:00:00",""
"7241284","6.02107","0.00003","12.63736","0.00006","23.03193","0.0001","90","","90","","90","","1752.51","0.014","170","0.12","170","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","1","","Zhao, Ru; Zeng, Bing-Lin; Jia, Wen-Qiang; Zhao, Hong-Yi; Shen, Long-Ying; Wang, Xiao-Jian; Pan, Xian-Dao","LiCl-promoted amination of β-methoxy amides (γ-lactones)","RSC Advances","2020","10","57","34938","34942","10.1039/D0RA07170F","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0773","0.0774","","","","","","1.092","","","","has coordinates","258063","2020-10-21","18:00:00",""
"7241285","9.655","0.0008","7.8337","0.0004","21.8957","0.0016","90","","100.355","0.007","90","","1629.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid 2,2'-bipyridine (2:1) co-crystal","","","- C19 H14 F3 N2 O2 -","- C19 H14 F3 N2 O2 -","- C76 H56 F12 N8 O8 -","4","1","","Hatcher, Lauren E.; Burgess, Ayrton J.; Payne, Pollyanna; Wilson, Chick C.","From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows","CrystEngComm","2020","","","","","10.1039/D0CE00898B","","","0.71073","MoKα","","0.1393","0.0585","","","0.0854","0.1106","","","","","","1.009","","","","has coordinates,has disorder","256638","2020-10-21","18:00:00",""
"7241286","22.951","0.005","10.686","0.002","16.444","0.003","90","","118.415","0.004","90","","3547.1","1.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 N6 Ni O10 -","- C38 H34 N6 Ni O10 -","- C152 H136 N24 Ni4 O40 -","4","0.5","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.0714","0.0513","","","0.1154","0.1256","","","","","","1.075","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241287","10.947","0.0003","12.8845","0.0004","13.5188","0.0004","90","","109.207","0.001","90","","1800.64","0.09","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Co N2 O4 -","- C15 H8 Co N2 O4 -","- C60 H32 Co4 N8 O16 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.0747","0.0651","","","0.1603","0.1645","","","","","","1.039","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241288","11.1911","0.0004","13.766","0.0004","13.1938","0.0004","90","","108.267","0.001","90","","1930.16","0.11","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cd N2 O4 -","- C15 H8 Cd N2 O4 -","- C60 H32 Cd4 N8 O16 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.053","0.0333","","","0.071","0.078","","","","","","1.052","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241289","21.655","0.0006","10.8019","0.0003","15.3693","0.0004","90","","108.469","0.001","90","","3409.95","0.16","170","","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 O10 Zn2 -","- C34 H28 N4 O10 Zn2 -","- C136 H112 N16 O40 Zn8 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.1023","0.0458","","","0.0954","0.1169","","","","","","1.106","","","","has coordinates,has disorder","258062","2020-10-21","18:00:00",""
"7241290","10.233","0.003","6.631","0.002","10.447","0.003","90","","95.3","0.005","90","","705.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 Cd2 Cs2 S6 -","- As2 Cd2 Cs2 S6 -","- As4 Cd4 Cs4 S12 -","2","0.5","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0386","0.0311","","","0.0886","0.0916","","","","","","1.09","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241291","6.957","0.005","14.917","0.011","7.415","0.006","90","","96.926","0.013","90","","763.9","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cs Hg Se3 -","- As Cs Hg Se3 -","- As4 Cs4 Hg4 Se12 -","4","1","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0463","0.0357","","","0.0846","0.0879","","","","","","1.025","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241292","10.09","0.002","6.651","0.0016","10.428","0.003","90","","94.686","0.004","90","","697.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 Cs2 Hg2 S6 -","- As2 Cs2 Hg2 S6 -","- As4 Cs4 Hg4 S12 -","2","0.5","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0719","0.0666","","","0.171","0.1725","","","","","","1.18","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241293","10.428","0.006","6.869","0.005","10.794","0.007","90","","93.676","0.01","90","","771.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cd Cs Se3 -","- As Cd Cs Se3 -","- As4 Cd4 Cs4 Se12 -","4","1","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0854","0.0758","","","0.1663","0.1695","","","","","","1.085","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241294","17.9377","0.0011","21.9449","0.0014","25.6202","0.0016","90","","106.696","0.002","90","","9660","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H72 Cd N24 O20 -","- C96 H72 Cd N24 O20 -","- C384 H288 Cd4 N96 O80 -","4","0.5","","Liu, Mei; Shi, Lulu; Fang, Cao; Zhu, Xiaofei; Li, Hui","A cucurbit[6]uril-based supramolecular assembly test strip for immediate detection of nitrofuran antibiotics in water","CrystEngComm","2020","","","","","10.1039/D0CE01294G","","","0.71073","MoKα","","0.0388","0.0354","","","0.0855","0.0915","","","","","","1.112","","","","has coordinates","256694","2020-10-21","18:00:00",""
"7241295","9.1121","0.0018","9.4374","0.0019","10.647","0.002","95.85","0.03","104.17","0.03","111.98","0.03","803.9","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C36 H32 O12 -","2","1","","Hu, Deqing; Yang, Lu; Wan, Jie-Ping","Biaryl and atropisomeric biaryl aldehyde synthesis by one-step, metal-free benzannulation of aryl enals and propiolates","Green Chemistry","2020","22","20","6773","6777","10.1039/D0GC02806A","","","0.71073","MoKα","","0.0573","0.0412","","","0.1138","0.1337","","","","","","1.132","","","","has coordinates","258877","2020-11-06","12:33:04",""
"7241296","7.5809","0.0002","19.0996","0.0002","11.1263","0.0003","90","","104.022","0.002","90","","1563","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 F3 N3 O -","- C20 H11 F3 N3 O -","- C80 H44 F12 N12 O4 -","4","1","","Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna","UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics.","Physical chemistry chemical physics : PCCP","2020","22","41","23637","23644","10.1039/d0cp03896b","","","1.54184","CuKα","","0.0367","0.0352","","","0.102","0.1036","","","","","","1.066","","","","has coordinates","258984","2020-11-06","13:18:42",""
"7241297","10.2758","0.0006","14.8286","0.0008","18.2612","0.001","90","","99.346","0.003","90","","2745.6","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H63 N8 O15 P S -","- C50 H63 N8 O15 P S -","- C100 H126 N16 O30 P2 S2 -","2","1","","Radzikowska, Ewa; Kaczmarek, Renata; Korczyński, Dariusz; Krakowiak, Agnieszka; Mikołajczyk, Barbara; Baraniak, Janina; Guga, Piotr; Wheeler, Kraig A.; Pawlak, Tomasz; Nawrot, Barbara","P-stereocontrolled synthesis of oligo(nucleoside N3′\ρightarrow O5′ phosphoramidothioate)s ‒ opportunities and limitations","RSC Advances","2020","10","58","35185","35197","10.1039/D0RA04987E","","x-ray","1.54178","CuKα","","0.1227","0.1196","","","0.3665","0.3702","","","","","","1.802","","","","has coordinates,has disorder","256707","2020-10-21","18:00:00",""
"7241298","12.53","0.006","12.767","0.006","15.21","0.007","90","","90","","90","","2433","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Au Cl N2 -","- C25 H32 Au Cl N2 -","- C100 H128 Au4 Cl4 N8 -","4","1","","Zhan, Licheng; Zhang, Gengtao; Wang, Jiwei; Zhang, Jun","Syntheses of tetrahydroquinoline-based chiral carbene precursors and the related chiral NHC‒Au(i) complex","RSC Advances","2020","10","58","35253","35256","10.1039/D0RA07271K","","","0.71073","MoKα","","0.0386","0.033","","","0.0715","0.073","","","","","","0.974","","","","has coordinates","256708","2020-10-21","18:00:00",""
"7241299","21.9383","0.0002","21.9383","0.0002","46.0355","0.0005","90","","90","","120","","19188","0.3","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag F6 O12 P S9 -","- C60 H66 Ag F5.99995 O12 P S9 -","- C720 H792 Ag12 F71.9994 O144 P12 S108 -","12","0.333333","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0374","0.0306","","","0.0739","0.0805","","","","","","1.053","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241300","29.7592","0.0003","26.2631","0.0003","20.0331","0.0002","90","","90","","90","","15657.2","0.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C65 H71 Ag Cl9 F3 O15 S9 -","- C65 H69 Ag Cl9 F3 O15 S9 -","- C520 H552 Ag8 Cl72 F24 O120 S72 -","8","1","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0911","0.0678","","","0.1878","0.2117","","","","","","1.05","","","","has coordinates,has disorder","256752","2020-10-21","18:00:00",""
"7241301","29.0458","0.0015","26.4503","0.0014","19.6654","0.0011","90","","98.978","0.003","90","","14923.2","1.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C265 H273 Ag8 Cl3 F24 O65 P0 S36 -","- C265 H273 Ag8 Cl3 F24 O65 S36 -","- C530 H546 Ag16 Cl6 F48 O130 S72 -","2","0.5","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.1494","0.0743","","","0.1657","0.2129","","","","","","1.007","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241302","10.2987","0.0006","16.1185","0.0009","17.2403","0.001","90","","97.391","0.002","90","","2838.1","0.3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Co4 N4 O26 -","- C62 H50 Co4 N4 O26 -","- C124 H100 Co8 N8 O52 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1136","0.0709","","","0.1178","0.1351","","","","","","1.174","","","","has coordinates","256753","2020-10-21","18:00:00",""
"7241303","10.372","0.0003","16.8173","0.0004","16.8664","0.0004","90","","98.482","0.001","90","","2909.81","0.13","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C65 H48 Co2 N9 O14 -","- C65 H48 Co2 N9 O14 -","- C130 H96 Co4 N18 O28 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.0823","0.0731","","","0.158","0.1613","","","","","","1.31","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241304","33.557","0.0011","15.838","0.0005","20.0331","0.0006","90","","90","","90","","10647.1","0.6","298.15","","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C106 H73 Co6 N12 O22 -","- C106 H73 Co6 N12 O22 -","- C424 H292 Co24 N48 O88 -","4","1","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1131","0.0544","","","0.1178","0.14","","","","","","1.005","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241305","12.0453","0.0014","20.437","0.002","13.1306","0.0016","90","","96.88","0.002","90","","3209.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi4 I16 N4 O8 S2 -","- C24 H36 Bi4 I16 N4 O8 S2 -","- C48 H72 Bi8 I32 N8 O16 S4 -","2","0.5","","Ben Ali, Saida; Feki, Amal; Ferretti, Valeria; Nasri, Moncef; Belhouchet, Mohamed","Crystal structure, spectroscopic measurement, optical properties, thermal studies and biological activities of a new hybrid material containing iodide anions of bismuth(iii)","RSC Advances","2020","10","58","35174","35184","10.1039/D0RA05646D","","","0.71073","MoKα","","0.0559","0.0507","","","0.1241","0.1278","","","","","","1.1","","","","has coordinates","256760","2020-10-21","18:00:00",""
"7241306","28.311","0.0019","32.998","0.003","13.625","0.0011","90","","110.683","0.002","90","","11908.2","1.7","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Dy3 N30 O49 -","- C54 H30.9992 Co2.9996 Dy3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Dy12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0757","0.0441","","","0.1089","0.1203","","","","","","1.019","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241307","28.15","0.003","33.16","0.004","13.68","0.0014","90","","109.96","0.004","90","","12003","2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Eu3 N30 O49 -","- C54 H31 Co3 Eu3 N24 O31 -","- C216 H124 Co12 Eu12 N96 O124 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0721","0.051","","","0.1386","0.1535","","","","","","0.978","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241308","28.145","0.005","33.446","0.006","13.581","0.002","90","","110.479","0.002","90","","11976","4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Gd3 N30 O49 -","- C54 H31.0004 Co3.0002 Gd3 N24 O31.0002 -","- C216 H124.002 Co12.0008 Gd12 N96 O124.001 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0824","0.0524","","","0.1549","0.1763","","","","","","1.006","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241309","28.33","0.012","33.266","0.015","13.65","0.006","90","","111.329","0.006","90","","11983","9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Ho3 N30 O49 -","- C54 H30.9992 Co2.9996 Ho3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Ho12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.078","0.0469","","","0.1215","0.1331","","","","","","1.043","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241310","27.9621","0.0019","32.846","0.003","13.478","0.0011","90","","110.883","0.002","90","","11565.6","1.6","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 N30 O49 Tb3 -","- C54 H29.0004 Co2.9999 N24 O29.9999 Tb3 -","- C216 H116.002 Co11.9996 N96 O120 Tb12 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0727","0.0499","","","0.1278","0.1333","","","","","","1.123","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241311","20.7375","0.0011","13.4812","0.0007","25.4131","0.0013","90","","90","","90","","7104.6","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H29 N4 O7 Re2 -","- C37 H22 N4 O7 Re2 -","- C296 H176 N32 O56 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","0.71073","MoKα","","0.0308","0.021","","","0.0439","0.0472","","","","","","1.033","","","","has coordinates,has disorder","256784","2020-10-21","18:00:00",""
"7241312","14.1536","0.0002","14.5187","0.0003","15.7597","0.0003","90","","90","","90","","3238.49","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N2 O8 Re2 -","- C14 H6 N2 O8 Re2 -","- C112 H48 N16 O64 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","1.54184","CuKα","","0.0353","0.0332","","","0.0844","0.086","","","","","","1.135","","","","has coordinates","256784","2020-10-21","18:00:00",""
"7241313","7.4811","0.0003","7.2879","0.0003","19.9293","0.0012","90","","98.283","0.005","90","","1075.24","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N5 -","- C11 H8 Br N5 -","- C44 H32 Br4 N20 -","4","1","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.1007","0.0538","","","0.087","0.1082","","","","","","1.049","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241314","15.3058","0.0005","12.5506","0.0003","15.1113","0.0004","90","","99.054","0.003","90","","2866.67","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br2 Cl4 N10 Zn2 -","- C22 H16 Br2 Cl4 N10 Zn2 -","- C88 H64 Br8 Cl16 N40 Zn8 -","4","0.5","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.0278","0.0186","","","0.0434","0.0441","","","","","","0.925","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241315","11.6196","0.0004","12.0604","0.0005","12.2162","0.0004","63.651","0.002","75.955","0.002","61.239","0.002","1343.91","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 N8 O6 V2 -","- C24 H20 Cu2 N8 O6 V2 -","- C48 H40 Cu4 N16 O12 V4 -","2","1","","Tian, Hong-Rui; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Zhuo; Lu, Ying; Liu, Shu-Xia","A highly stable polyoxovanadate-based Cu(i)‒MOF for the carboxylative cyclization of CO2 with propargylic alcohols at room temperature","Green Chemistry","2020","22","21","7513","7520","10.1039/D0GC02812F","","","0.71073","MoKα","","0.0458","0.0292","","","0.0606","0.0681","","","","","","1.072","","","","has coordinates","258881","2020-11-06","12:33:57",""
"7241316","21.071","0.003","21.271","0.003","36.786","0.005","80.137","0.004","82.278","0.004","78.032","0.004","15807","4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C280 H294 Ag32 Au12 P4 S26 -","- C280 H294 Ag32 Au12 P4 S26 -","- C560 H588 Ag64 Au24 P8 S52 -","2","1","","He, Lizhong; He, Xinhai; wang, junbo; qu, yinhu; Su, Xiaolei; zheng, jioajiao; zhao, xiaoliang","The positional isomerism in the bimetal nanocluster","CrystEngComm","2020","","","","","10.1039/D0CE01334J","","","0.71073","MoKα","","0.1697","0.0963","","","0.2516","0.3022","","","","","","1.033","","","","has coordinates","256816","2020-10-21","18:00:00",""
"7241317","18.4309","0.0002","13.5312","0.0001","18.5524","0.0002","90","","97.887","0.001","90","","4583.06","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N3 Na Ni4 O18 P3 -","- C35 H55 N3 Na Ni4 O18 P3 -","- C140 H220 N12 Na4 Ni16 O72 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0333","0.0285","","","0.0738","0.0766","","","","","","1.044","","","","has coordinates","256817","2020-10-21","18:00:00",""
"7241318","15.476","0.001","24.1101","0.0017","18.3598","0.0013","90","","113.266","0.002","90","","6293.5","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N3 Na Ni4 O19 P3 -","- C48 H56 N3 Na Ni4 O19 P3 -","- C192 H224 N12 Na4 Ni16 O76 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0893","0.0729","","","0.1952","0.2033","","","","","","1.047","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241319","14.5663","0.001","18.8563","0.0013","20.5672","0.0014","96.8765","0.0016","90.3808","0.0017","104.564","0.002","5424.3","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C138 H174 Br12 N12 Na4 Ni16 O72 P12 -","2","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0912","0.0641","","","0.1678","0.1823","","","","","","1.004","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241320","8.2197","0.0002","10.4608","0.0002","14.4752","0.0003","77.0948","0.0008","79.6924","0.0008","81.5655","0.0009","1186.21","0.04","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O3 -","- C31 H22 N2 O3 -","- C62 H44 N4 O6 -","2","1","","Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii) promoted formation of dihydroquinazolinones: double X‒H activation by gold","RSC Advances","2020","10","59","35681","35691","10.1039/D0RA06537D","","","0.71073","MoKα","","0.1111","0.0634","","","0.1459","0.1669","","","","","","1.021","","","","has coordinates","256823","2020-10-21","18:00:00",""
"7241321","9.1182","0.0006","13.8291","0.001","23.4126","0.0016","103.581","0.001","91.205","0.002","98.758","0.002","2831.3","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H53 N4 O9 -","- C70 H53 N4 O9 -","- C140 H106 N8 O18 -","2","1","","Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii) promoted formation of dihydroquinazolinones: double X‒H activation by gold","RSC Advances","2020","10","59","35681","35691","10.1039/D0RA06537D","","","0.71073","MoKα","","0.1601","0.0774","","","0.1557","0.2035","","","","","","1.037","","","","has coordinates","256823","2020-10-21","18:00:00",""
"7241322","15.666","0.0016","7.1513","0.0007","17.0738","0.0017","90","","111.938","0.005","90","","1774.3","0.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TPCB","rctt-tetrakis-(5-pyrimidyl)-cyclobutane","","- C20 H16 N8 -","- C20 H16 N8 -","- C80 H64 N32 -","4","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0677","0.0577","","","0.1333","0.14","","","","","","1.119","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241323","8.9258","0.0005","9.1762","0.0006","14.6465","0.0008","82.686","0.002","74.068","0.002","72.653","0.002","1099.72","0.11","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","rctt-1,2,3,4-tetrakis-(5-pyrimdyl)cyclobutane tetrachloro-1,4-diiodobenzne","","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","1","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0283","0.0225","","","0.048","0.0499","","","","","","1.048","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241324","8.8412","0.0019","9.012","0.002","12.227","0.003","70.384","0.003","71.053","0.003","77.807","0.004","862.2","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 Br5 N O4 -","- C13 H6 Br5 N O4 -","- C26 H12 Br10 N2 O8 -","2","1","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0491","0.0407","","","0.1123","0.1179","","","","","","1.095","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241325","8.914","0.002","10.446","0.003","10.466","0.003","65.089","0.007","86.05","0.008","75.658","0.008","855.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0834","0.0694","","","0.2164","0.2302","","","","","","1.09","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241326","9.0292","0.001","9.4163","0.0011","12.2764","0.0014","108.671","0.002","108.502","0.002","93.051","0.002","923.69","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0348","0.0305","","","0.0762","0.0785","","","","","","1.059","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241327","9.4075","0.0004","18.8184","0.0005","21.0347","0.0009","90","","90","","90","","3723.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H42 Br16 N8 O21 -","- C52 H42 Br16 N8 O21 -","- C104 H84 Br32 N16 O42 -","2","0.25","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71069","MoKα","","0.0619","0.0368","","","0.0769","0.0868","","","","","","1.073","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241328","12.374","0.003","12.165","0.003","17.437","0.005","90","","91.265","0.004","90","","2624.1","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C16 H96 Ag8 Mo20 N16 O100 P8 -","4","0.5","","Niu, Jingyang; Hua, Jiai; Yuan, Xin; Ma, Xiang; Ma, Pengtao; Wang, Jingping","A silver-substituted phosphomolybdate prevents the growth of bacteria without affecting the balance of reactive oxygen species","CrystEngComm","2020","","","","","10.1039/D0CE01283A","","","0.71073","MoKα","","0.0203","0.0189","","","0.0461","0.0468","","","","","","1.075","","","","has coordinates","256844","2020-10-21","18:00:00",""
"7241329","14.07","0.003","14.72","0.003","15.43","0.003","66.56","0.03","67.55","0.03","76.46","0.03","2697","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","1","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0493","0.0434","","","0.116","0.1203","","","","","","1.071","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241330","16.713","0.003","17.962","0.004","16.109","0.003","90","","108.93","0.03","90","","4574.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 O11 S3 -","- C50 H54 O11 S3 -","- C200 H216 O44 S12 -","4","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0701","0.0462","","","0.1098","0.1227","","","","","","1.027","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241331","33.388","0.005","33.388","0.005","22.267","0.004","90","","90","","120","","21497","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C94 H84 N2 O18 Zn -","- C94 H84 N2 O18 Zn -","- C846 H756 N18 O162 Zn9 -","9","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0888","0.0707","","","0.2102","0.2269","","","","","","1.042","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241332","26.971","0.005","23.006","0.005","35.506","0.007","90","","90","","90","","22031","8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C102 H120 N6 O27 S4 Zn3 -","- C102 H120 N6 O27 S4 Zn3 -","- C816 H960 N48 O216 S32 Zn24 -","8","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79312","synchrotron","","0.0943","0.0625","","","0.1719","0.1947","","","","","","1.036","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241333","10.3969","0.0006","18.2975","0.0009","19.3503","0.0008","96.169","0.004","96.545","0.004","105.325","0.005","3490.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Dy2 N6 O32 P8 -","- C50 H56 Dy2 N6 O28 P8 -","- C100 H112 Dy4 N12 O56 P16 -","2","1","","Wang, Guo-Ming; Wei, Wu-Ji; Zhang, Qian; Li, Qi; Chen, Yao-Yao; Gao, Pei; Li, Wei; Hu, Ji-Xiang","Triple responsive room temperature luminescence, photochromism and photomagnetism in a Dy(III)-based linear chain complex","CrystEngComm","2020","","","","","10.1039/D0CE01268H","","","0.71073","MoKα","","0.0576","0.0381","","","0.0876","0.0952","","","","","","0.999","","","","has coordinates","256877","2020-10-21","18:00:00",""
"7241334","10.3539","0.0005","10.9951","0.0006","11.059","0.0007","90","","90","","90","","1258.98","0.12","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H11 B F4 N2 O -","- C13 H11 B F4 N2 O -","- C52 H44 B4 F16 N8 O4 -","4","1","","Gao, Wenjing; Wan, Yameng; Zhang, Zhiguo; Wu, Hao; Liu, Tongxin; Zhang, Guisheng","The Hofmann reaction involving annulation of o-(pyridin-2-yl)aryl amides selectively and rapidly leads to potential photocatalytically active 6H-pyrido[1,2-c]quinazolin-6-one derivatives","Green Chemistry","2020","22","22","7955","7961","10.1039/D0GC02777D","","x-ray","0.71073","MoKα","","0.0505","0.0443","","","0.1253","0.1345","","","","","","0.87","","","","has coordinates","259605","2020-12-06","14:25:50",""
"7241335","8.4812","0.0018","24.898","0.005","7.7969","0.0016","90","","95.961","0.004","90","","1637.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N18 O4 -","- C6 H16 N18 O4 -","- C24 H64 N72 O16 -","4","1","","Cong, Zhang; Xiang, Chen; Yongpeng, Hu; Yang, Bai; Zhaoqi, Guo; Daidi, Fan; Haixia, Ma","A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent","RSC Advances","2020","10","60","36287","36294","10.1039/D0RA06766K","","","0.71073","MoKα","","0.1191","0.0552","","","0.0855","0.1047","","","","","","1.03","","","","has coordinates","256918","2020-10-21","18:00:00",""
"7241336","7.472","0.0016","7.8861","0.0016","8.2265","0.0018","80.222","0.004","64.653","0.003","84.717","0.004","431.61","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H18 N20 O4 -","- C6 H18 N20 O4 -","- C6 H18 N20 O4 -","1","0.5","","Cong, Zhang; Xiang, Chen; Yongpeng, Hu; Yang, Bai; Zhaoqi, Guo; Daidi, Fan; Haixia, Ma","A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent","RSC Advances","2020","10","60","36287","36294","10.1039/D0RA06766K","","","0.71073","MoKα","","0.11","0.0713","","","0.1601","0.1844","","","","","","1.036","","","","has coordinates","256918","2020-10-21","18:00:00",""
"7241337","13.0663","0.0001","12.9391","0.0001","46.62","0.0005","90","","98.001","0.001","90","","7805.14","0.12","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C84H98N8Zn","","- C84 H98 N8 Zn -","- C84 H98 N8 Zn -","- C336 H392 N32 Zn4 -","4","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","x-ray","1.54184","CuKα","","0.0585","0.0553","","","0.1332","0.1361","","","","","","1.004","","","","has coordinates","256919","2020-10-21","18:00:00",""
"7241338","12.0275","0.0007","12.8465","0.0006","14.5982","0.0008","104.022","0.004","93.333","0.005","108.901","0.004","2047.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H53 N4 O2 -","- C44 H53 N4 O2 -","- C88 H106 N8 O4 -","2","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","","0.71073","MoKα","","0.1384","0.0744","","","0.1677","0.2128","","","","","","1.042","","","","has coordinates,has disorder","256919","2020-10-21","18:00:00",""
"7241339","11.8769","0.0003","13.4192","0.0004","17.2498","0.0004","85.646","0.002","89.156","0.002","73.944","0.003","2634.32","0.13","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","ZnCl2N4C63H54","","- C63 H54 Cl2 N4 Zn -","- C63 H54 Cl2 N4 Zn -","- C126 H108 Cl4 N8 Zn2 -","2","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","x-ray","1.54184","CuKα","","0.0642","0.0576","","","0.1512","0.156","","","","","","1.0445","","","","has coordinates","256919","2020-10-21","18:00:00",""
"7241340","7.7317","0.0013","11.617","0.002","20.846","0.004","90","","92.684","0.002","90","","1870.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Br6 N2 O Pb2 -","- C4 H16 Br6 N2 O Pb2 -","- C16 H64 Br24 N8 O4 Pb8 -","4","1","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0627","0.0413","","","0.0929","0.1015","","","","","","1.016","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241341","14.597","0.004","12.063","0.003","21.211","0.007","90","","91.264","0.003","90","","3734","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H40 Br10 N4 Pb3 -","- C14 H40 Br10 N4 Pb3 -","- C56 H160 Br40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0822","0.0518","","","0.1211","0.1349","","","","","","1.041","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241342","8.194","0.015","19.75","0.04","14.33","0.03","90","","92.072","0.017","90","","2318","8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br6 N2 O Pb2 -","- C9 H21 Br6 N2 O Pb2 -","- C36 H84 Br24 N8 O4 Pb8 -","4","2","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0778","0.0361","","","0.0535","0.0621","","","","","","0.952","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241343","24.6238","0.0017","11.6554","0.0008","14.3516","0.001","90","","124.349","0.003","90","","3400.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H40 Cl10 N4 Pb3 -","- C14 H40 Cl10 N4 Pb3 -","- C56 H160 Cl40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0317","0.0242","","","0.0551","0.0575","","","","","","1.06","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241344","35.4","0.7","5.28","0.11","22.6","0.5","90","","118.2","0.5","90","","3723","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Claritin","Loratadine","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Das, Partha P.; Mugnaioli, Enrico; Andrusenko, Iryna; Galanis, Athanassios S.; van de Streek, Jacco; Nicolopoulos, Stavros; Gemmi, Mauro; Wagner, Trixie","Structural Analysis of Metastable Pharmaceutical Loratadine Form II, by 3D Electron Diffraction and DFT+D Energy Minimisation","CrystEngComm","2020","","","","","10.1039/D0CE01216E","","electron","0.0335","electron","","0.5758","0.5807","","","0.8072","0.8195","","","","","","3.488","","","","has coordinates","256970","2020-10-21","18:00:00",""
"7241345","8.1303","0.0009","8.5936","0.0011","9.2306","0.0012","88.833","0.011","68.333","0.011","89.254","0.01","599.23","0.14","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","lithiumdimethylamide","","- C20 H44 Li2 N2 O4 -","- C20 H44 Li2 N2 O4 -","- C20 H44 Li2 N2 O4 -","1","0.5","","Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng","Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides","Green Chemistry","2020","22","20","7023","7030","10.1039/D0GC02347G","","x-ray","0.71073","MoKα","","0.0926","0.0589","","","0.1658","0.1789","","","","","","0.92","","","","has coordinates,has disorder","258875","2020-11-06","12:32:29",""
"7241346","13.1208","0.0003","7.6644","0.0001","15.2725","0.0004","90","","111.229","0.003","90","","1431.63","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng","Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides","Green Chemistry","2020","22","20","7023","7030","10.1039/D0GC02347G","","x-ray","1.54184","CuKα","","0.0406","0.0376","","","0.0948","0.0972","","","","","","1.02","","","","has coordinates","258875","2020-11-06","12:32:36",""
"7241347","13.7013","0.0006","6.4058","0.0004","17.3373","0.001","90","","96.021","0.005","90","","1513.26","0.15","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N6 O8 P -","- C28 H33 N6 O8 P -","- C56 H66 N12 O16 P2 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the solubility and bioavailability of anti-hepatitis B drug PEC via PEC‒fumaric acid cocrystal","RSC Advances","2020","10","59","36125","36134","10.1039/D0RA06608G","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.0985","0.1093","","","","","","1.024","","","","has coordinates","256974","2020-10-21","18:00:00",""
"7241348","16.8773","0.0005","10.5015","0.0003","19.9631","0.0007","90","","90","","90","","3538.2","0.19","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd2 N13 O2 -","- C13 H7 Cd2 N13 O2 -","- C104 H56 Cd16 N104 O16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0439","0.0364","","","0.11","0.1148","","","","","","1.052","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241349","13.8461","0.0003","13.8461","0.0003","23.381","0.001","90","","90","","90","","4482.5","0.2","273","2","273.15","","","","","","","","","5","I -4","I -4","82","","","","- C13 H12 N13 O3.5 Zn2 -","- C13 H5 N13 O1.5 Zn2 -","- C104 H40 N104 O12 Zn16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0836","0.0829","","","0.2219","0.224","","","","","","1.038","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241350","12.2664","0.0001","25.5555","0.0002","14.0136","0.0001","90","","95.385","0.001","90","","4373.51","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cl3 N3 O2 Ru S -","- C38 H46 Cl3 N3 O2 Ru S -","- C152 H184 Cl12 N12 O8 Ru4 S4 -","4","1","","Kia, Reza","Non-covalent Sulfoxide…(Nitrosyl Group) Interactions Involving Coordinated Nitrosyl in a Ru(II) Nitrosyl Complex with α-Diimine Ligand: Structural and Computational Studies","CrystEngComm","2020","","","","","10.1039/D0CE01063D","","","1.54184","CuKα","","0.0641","0.0617","","","0.1424","0.1433","","","","","","1.288","","","","has coordinates","257196","2020-10-21","18:00:00",""
"7241351","36.5063","0.0013","36.5063","0.0013","28.7488","0.0011","90","","90","","120","","33181","2","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H270 Co24 N18 O84 S30 -","- C270 H270 Co24 N18 O84 S30 -","- C810 H810 Co72 N54 O252 S90 -","3","0.166667","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.1528","0.1198","","","0.3145","0.3424","","","","","","1.292","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241352","49.4477","0.0009","49.4477","0.0009","39.5019","0.001","90","","90","","120","","83645","3","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C164 H176 Co8 N3 O20 S16 -","- C164 H176 Co8 N3 O20 S16 -","- C2952 H3168 Co144 N54 O360 S288 -","18","0.5","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.0794","0.0628","","","0.1579","0.172","","","","","","0.989","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241353","12.4741","0.0011","23.658","0.002","16.9381","0.0015","90","","99.71","0.002","90","","4927","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Er N2 O6 -","- C57 H45 Er N2 O6 -","- C228 H180 Er4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0939","0.0536","","","0.0968","0.1047","","","","","","1.008","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241354","10.4163","0.0011","21.9688","0.0019","16.7477","0.0015","90","","94.344","0.002","90","","3821.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Er N3 O9 -","- C42 H34 Er N3 O9 -","- C168 H136 Er4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.1019","0.0609","","","0.1282","0.1422","","","","","","1.06","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241355","10.2307","0.0001","21.9678","0.0002","16.5575","0.0002","90","","93.802","0.001","90","","3713.04","0.07","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Dy N3 O9 -","- C42 H34 Dy N3 O9 -","- C168 H136 Dy4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","x-ray","1.54184","CuKα","","0.048","0.0433","","","0.1056","0.1085","","","","","","1.056","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241356","12.332","0.0003","23.147","0.0005","16.8143","0.0004","90","","100.087","0.002","90","","4725.43","0.19","180","0.1","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Dy N2 O6 -","- C57 H45 Dy N2 O6 -","- C228 H180 Dy4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0491","0.034","","","0.0861","0.0966","","","","","","1.091","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241357","10.7133","0.0007","18.9023","0.0011","21.6443","0.0013","90","","90","","90","","4383.1","0.5","150.15","","150.15","","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C18 H30 Cs N10 Nd O7 Re6 S8 -","- C18 H30 Cs N10 Nd O7.16 Re6 S8 -","- C72 H120 Cs4 N40 Nd4 O28.64 Re24 S32 -","4","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.0186","0.0172","","","0.0374","0.0377","","","","","","1.175","","","","has coordinates","258211","2020-10-21","18:00:00",""
"7241358","10.8248","0.0017","10.8248","0.0017","32.123","0.005","90","","90","","120","","3259.8","0.9","150","0.1","150","0.1","","","","","","","","8","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H30 Cs N10 O7 Re6 Se8 Tb -","- C18 H28 Cs N10 O6 Re6 Se8 Tb -","- C54 H84 Cs3 N30 O18 Re18 Se24 Tb3 -","3","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.052","0.0448","","","0.1082","0.1108","","","","","","1.107","","","","has coordinates,has disorder","258211","2020-10-21","18:00:00",""
"7241359","16.8431","0.0004","44.1352","0.0007","27.1376","0.0006","90","","107.142","0.002","90","","19277.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H101 Dy12 N20 O58 -","- C114 H101 Dy12 N20 O58 -","- C456 H404 Dy48 N80 O232 -","4","0.5","","Wang, Wei; Zhang, Jing; Zhao, Ji-Hai; He, Yuan-Chun; Li, Meng-Ting; Yu, Yang","Lanthanide(III) Dodecanuclear Structure with Acylyhydrazone Schiff-base Ligand: Slow Magnetic Relaxation and Magnetocaloric Effects","CrystEngComm","2020","","","","","10.1039/D0CE01339K","","x-ray","0.71073","MoKα","","0.0358","0.0298","","","0.1046","0.1091","","","","","","1.148","","","","has coordinates,has disorder","258212","2020-10-21","18:00:00",""
"7241361","10.1692","0.0003","22.6293","0.0006","20.9402","0.0006","90","","91.6312","0.0013","90","","4816.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 B F24 S8 -","- C42 H20 B F24 S8 -","- C168 H80 B4 F96 S32 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.047","0.0409","","","0.1103","0.1146","","","","","","1.077","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241362","8.1423","0.0006","13.7726","0.001","10.2776","0.0007","90","","92.209","0.003","90","","1151.68","0.14","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H10 B11 Br6 S4 -","- C7 H10 B11 Br6 S4 -","- C14 H20 B22 Br12 S8 -","2","0.5","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0689","0.0371","","","0.0735","0.0821","","","","","","1.007","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241363","13.8745","0.0009","14.2009","0.0008","26.1484","0.0015","93.003","0.002","99.251","0.002","106.843","0.002","4840.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H50 B2 Cl2 F48 Se8 -","- C85 H50 B2 Cl2 F48 Se8 -","- C170 H100 B4 Cl4 F96 Se16 -","2","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.1024","0.062","","","0.1623","0.1867","","","","","","1.08","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241364","10.4486","0.0003","14.0122","0.0004","15.7753","0.0004","89.036","0.001","83.401","0.001","81.206","0.001","2267.35","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 B F24 Se4 -","- C42 H24 B F24 Se4 -","- C84 H48 B2 F48 Se8 -","2","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0546","0.0322","","","0.0737","0.0827","","","","","","1.022","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241365","14.9617","0.0007","15.7799","0.0007","17.0816","0.0008","111.658","0.0014","101.268","0.0014","94.4328","0.0015","3626.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H44 B11 S8 -","- C23 H44 B11 S8 -","- C92 H176 B44 S32 -","4","2","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.0544","0.0506","","","0.1445","0.1476","","","","","","1.061","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241366","11.0183","0.0009","11.7862","0.0008","26.111","0.002","90","","92.046","0.003","90","","3388.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B11 Br6 Cl2 S8 -","- C12 H16 B11 Br6 Cl2 S8 -","- C48 H64 B44 Br24 Cl8 S32 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0813","0.0385","","","0.0687","0.0794","","","","","","1.018","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241367","8.8819","0.0005","21.3136","0.001","15.0603","0.0008","90","","92.345","0.002","90","","2848.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B11 Br6 Se4 -","- C11 H18 B11 Br6 Se4 -","- C44 H72 B44 Br24 Se16 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0524","0.0331","","","0.078","0.0851","","","","","","1.065","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241368","9.1263","0.0013","74.893","0.011","15.658","0.002","90","","104.505","0.01","90","","10361","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H146 B33 Cl2 Se12 -","- C70 H146 B33 Cl2 Se12 -","- C280 H584 B132 Cl8 Se48 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.0588","0.0512","","","0.1203","0.1241","","","","","","1.117","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241369","9.0536","0.0004","20.5662","0.0009","15.0317","0.0007","90","","96.2939","0.0017","90","","2782","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B11 Br6 S4 -","- C11 H18 B11 Br6 S4 -","- C44 H72 B44 Br24 S16 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0412","0.0241","","","0.0466","0.0508","","","","","","1.025","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241370","9.0883","0.0016","9.2043","0.0015","10.2496","0.0017","83.788","0.007","76.145","0.007","85.976","0.007","826.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H48 B11 S4 -","- C23 H48 B11 S4 -","- C23 H48 B11 S4 -","1","0.5","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0481","0.0377","","","0.109","0.1178","","","","","","1.028","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241371","14.5546","0.0002","4.9907","0.0005","17.1813","0.0003","90","","113.268","0.002","90","","1146.5","0.12","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N3 O S2 -","- C11 H9 N3 O S2 -","- C44 H36 N12 O4 S8 -","4","1","","Al-Wahaibi, Lamya H.; Chakraborty, Kushumita; Al-Shaalan, Nora H.; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A.; El-Emam, Ali A.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study","RSC Advances","2020","10","60","36806","36817","10.1039/D0RA07215J","","","1.54184","CuKα","","0.027","0.0249","","","0.0674","0.0687","","","","","","1.064","","","","has coordinates","258222","2020-10-21","18:00:00",""
"7241372","4.6908","0.0002","9.2376","0.0003","14.6613","0.0003","94.308","0.002","93.766","0.002","100.924","0.003","619.95","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C26 H22 N6 O2 S2 -","2","1","","Al-Wahaibi, Lamya H.; Chakraborty, Kushumita; Al-Shaalan, Nora H.; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A.; El-Emam, Ali A.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study","RSC Advances","2020","10","60","36806","36817","10.1039/D0RA07215J","","","1.54184","CuKα","","0.0383","0.0327","","","0.0859","0.0888","","","","","","1.024","","","","has coordinates,has disorder","258222","2020-10-21","18:00:00",""
"7241373","5.868","0.004","9.531","0.006","10.618","0.006","107.56","0.05","93.87","0.06","106.2","0.06","536.2","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1255","0.0447","","","0.0986","0.124","","","","","","0.986","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241374","11.429","0.004","7.888","0.003","7.254","0.003","90","","99.2","0.03","90","","645.5","0.4","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O2 S4 -","- C9 H8 N2 O2 S4 -","- C18 H16 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1078","0.0563","","","0.1445","0.1713","","","","","","1.034","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241375","12.6138","0.0004","5.52905","0.00016","16.8453","0.0005","90","","100.868","0.0015","90","","1153.76","0.06","274","","274","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O2 S4 -","- C26 H16 N2 O2 S4 -","- C52 H32 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1625","0.1024","","","0.2524","0.3367","","","","","","1.235","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241376","4.8107","0.0004","9.0732","0.0006","11.0382","0.0006","108.24","0.003","98.143","0.004","96.693","0.004","446.3","0.05","274","","274","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1228","0.0796","","","0.1775","0.2371","","","","","","0.972","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241377","25.445","0.006","8.045","0.004","7.101","0.002","90","","93.45","0.02","90","","1451","0.9","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1038","0.0447","","","0.117","0.1402","","","","","","1.014","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241378","14.3245","0.0009","4.9698","0.0003","19.9041","0.0012","90","","106.595","0.003","90","","1357.95","0.15","274","","274","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1507","0.074","","","0.1579","0.2123","","","","","","0.876","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241379","26.578","0.007","7.813","0.003","7.2475","0.0012","90","","93.773","0.017","90","","1501.7","0.7","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1071","0.0431","","","0.114","0.1402","","","","","","1.018","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241380","10.6059","0.0003","10.3846","0.0003","17.1139","0.0005","90","","96.948","0.001","90","","1871.05","0.09","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0235","0.0202","","","0.0411","0.0429","","","","","","1.097","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241381","10.6198","0.0008","10.3883","0.0008","17.0912","0.001","90","","97.256","0.007","90","","1870.4","0.2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0451","0.0312","","","0.0589","0.0632","","","","","","1.013","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241382","10.892","0.004","10.536","0.003","17.354","0.006","90","","98.397","0.012","90","","1970.2","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0431","0.0299","","","0.0577","0.0618","","","","","","1.021","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241383","8.4738","0.0005","9.6099","0.0006","12.106","0.0009","88.37","0.002","69.823","0.002","84.352","0.002","920.81","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl N3 S -","- C21 H16 Cl N3 S -","- C42 H32 Cl2 N6 S2 -","2","1","","Wang, Guanjie; Wei, Chenlong; Hong, Xianfang; Fu, Zhenqian; Huang, Wei","Sodium pyruvate as a peroxide scavenger in aerobic oxidation under carbene catalysis","Green Chemistry","2020","22","20","6819","6826","10.1039/D0GC02555K","","","0.71073","MoKα","","0.0515","0.0395","","","0.0908","0.0991","","","","","","1.024","","","","has coordinates","258880","2020-11-06","12:33:36",""
"7241384","16.6683","0.0012","7.2365","0.0004","14.3065","0.0012","90","","119.049","0.01","90","","1508.6","0.2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C40 H24 Ag4 Cl16 N12 O12 -","4","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0379","0.0268","","","0.069","0.0723","","","","","","1.026","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241385","8.2976","0.0005","13.7115","0.0009","14.1141","0.0009","73.313","0.006","80.742","0.005","81.585","0.005","1509.6","0.17","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Ag2 Cl8 N6 O6 -","- C20 H12 Ag2 Cl8 N6 O6 -","- C40 H24 Ag4 Cl16 N12 O12 -","2","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0477","0.0337","","","0.0861","0.0901","","","","","","1.043","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241386","8.1687","0.0006","13.9793","0.001","14.6804","0.0008","90","","90","","90","","1676.39","0.19","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0434","0.0327","","","0.0678","0.0723","","","","","","1.021","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241387","19.2103","0.0003","19.2103","0.0003","16.6266","0.0005","90","","90","","90","","6135.8","0.2","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C160 H96 Ag16 Cl64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.035","0.0249","","","0.0614","0.0639","","","","","","1.052","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241388","8.3416","0.0004","20.5345","0.0012","9.6839","0.0006","90","","103.852","0.006","90","","1610.52","0.16","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0443","0.035","","","0.0888","0.0942","","","","","","1.054","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241389","19.3089","0.0008","19.3089","0.0008","17.5217","0.0012","90","","90","","90","","6532.7","0.6","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C160 H96 Ag16 Br64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0559","0.0306","","","0.0586","0.063","","","","","","1.055","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241390","13.1097","0.0007","8.0041","0.0005","14.2334","0.0008","90","","117.105","0.003","90","","1329.5","0.14","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Du, Yanqing; Liang, Fengying; Hu, Mixia; Bu, Ren; Wang, Meiling; Tsuda, Akihiko; Eerdun, Chaolu","Hydroxychalcone dyes that serve as color indicators for pH and fluoride ions","RSC Advances","2020","10","61","37463","37472","10.1039/D0RA06719A","","","1.54178","CuKα","","0.079","0.0605","","","0.1583","0.1716","","","","","","1.061","","","","has coordinates","258326","2020-10-21","18:00:00",""
"7241391","6.5678","0.0008","6.0983","0.0007","7.8715","0.0008","90","","90","","90","","315.27","0.06","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0281","0.0254","","","0.0661","0.0671","","","","","","1.105","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241392","6.5224","0.0011","6.0741","0.0008","7.8268","0.0012","90","","90","","90","","310.08","0.08","228","2","228","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0299","0.0284","","","0.0683","0.0692","","","","","","1.126","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241393","6.4914","0.0005","6.0556","0.0005","7.802","0.0005","90","","90","","90","","306.69","0.04","156","2","156","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0273","0.0259","","","0.0661","0.0672","","","","","","1.109","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241394","6.5045","0.0006","6.064","0.0006","7.8072","0.0009","90","","90","","90","","307.94","0.05","192","2","192","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0287","0.0266","","","0.0668","0.0684","","","","","","1.173","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241395","6.5399","0.0011","6.0841","0.0007","7.8385","0.0012","90","","90","","90","","311.89","0.08","264","2","264","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0277","0.0263","","","0.0644","0.0652","","","","","","1.122","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241396","25.0469","0.0004","10.1507","0.0002","16.1021","0.0003","90","","100.547","0.001","90","","4024.69","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu2 N10 O4 Zn -","- C40 H36 Cu2 N10 O4 Zn -","- C160 H144 Cu8 N40 O16 Zn4 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0643","0.0508","","","0.165","0.1767","","","","","","1.43","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241397","25.3683","0.0016","10.4046","0.0007","15.3557","0.0009","90","","94.108","0.004","90","","4042.7","0.4","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C148 H152 Cd4 Cl4 Cu8 N20 O36 S4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0561","0.0454","","","0.1196","0.1303","","","","","","1.136","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241398","18.017","0.003","12.935","0.002","19.308","0.003","90","","117.267","0.002","90","","3999.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cu2 N7 O4 S2 Zn -","- C40 H39 Cu2 N7 O4 S2 Zn -","- C160 H156 Cu8 N28 O16 S8 Zn4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0935","0.0434","","","0.0981","0.1192","","","","","","0.938","","","","has coordinates","258353","2020-10-21","18:00:00",""
"7241399","25.5879","0.0019","10.0363","0.0008","15.8719","0.0012","90","","99.931","0.003","90","","4015","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cd Cu2 N10 O4 -","- C39.9998 H36 Cd Cu2 N9.9998 O4 -","- C159.999 H144 Cd4 Cu8 N39.9992 O16 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0672","0.052","","","0.1611","0.1694","","","","","","1.485","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241400","6.4413","0.0005","11.5184","0.001","12.4869","0.0011","90","","102.852","0.0013","90","","903.24","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dibromo-N,N-dimethyl-N,N-diphenylfumaramide","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C36 H32 Br4 N4 O4 -","2","0.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.0402","0.0289","","","0.0669","0.0713","","","","","","1.048","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241401","18.21","0.02","7.066","0.008","19.77","0.02","90","","110.968","0.01","90","","2375","4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N, N-dimethyl-N, N-diphenylfumaramide","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C108 H108 N12 O12 -","6","1.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.221","0.0898","","","0.2022","0.2795","","","","","","0.959","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241402","9.3081","0.0002","9.3081","0.0002","6.67419","0.00018","90","","90","","120","","500.78","0.02","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Dy4 Mg O13 Si3 -","- Dy4 Mg O13 Si3 -","- Dy8 Mg2 O26 Si6 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Trusov, Lev A.; Vasiliev, Alexander V.; Kremer, Reinhard K.; Dinnebier, Robert E.; Jansen, Martin","Dysprosium magnesium silicate apatite featuring field and temperature stable slow magnetization relaxation","RSC Advances","2020","10","62","37588","37595","10.1039/D0RA07069F","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0294","0.0282","","0.0318","0.0317","","","","1.43","","","","","","","has coordinates","258418","2020-10-21","18:00:00",""
"7241403","21.8709","0.0008","6.3608","0.0003","25.3626","0.0009","90","","113.674","0.0019","90","","3231.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F12 Fe N6 P2 S6 -","- C18 H30 F12 Fe N6 P2 S6 -","- C72 H120 F48 Fe4 N24 P8 S24 -","4","1","","Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha","Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes","RSC Advances","2020","10","63","38294","38303","10.1039/D0RA07371G","","","0.71073","MoKα","","0.0769","0.0525","","","0.1374","0.1508","","","","","","1.082","","","","has coordinates,has disorder","258446","2020-10-21","18:00:00",""
"7241404","11.227","0.0005","11.927","0.0005","27.9572","0.0012","90","","90","","90","","3743.6","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","trans communic acid","trans communic acid","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha","Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes","RSC Advances","2020","10","63","38294","38303","10.1039/D0RA07371G","","","1.54178","CuKα","","0.0538","0.0488","","","0.1306","0.1374","","","","","","1.075","","","","has coordinates","258446","2020-10-21","18:00:00",""
"7241405","13.7287","0.0013","18.656","0.002","7.4592","0.0007","90","","105.962","0.006","90","","1836.8","0.3","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Liu, Xiling; Gu, Fangyuan; Zhou, Xinyi; Zhou, Wei; Zhang, Shuping; Cui, Lei; Guo, Ting","A naphthalimide-based turn-on fluorescence probe for peroxynitrite detection and imaging in living cells","RSC Advances","2020","10","63","38281","38286","10.1039/D0RA06564A","","","1.34139","GaKα","","0.1473","0.0616","","","0.1407","0.1823","","","","","","0.96","","","","has coordinates","258447","2020-10-21","18:00:00",""
"7241406","6.1241","0.0002","12.8424","0.0003","20.6476","0.0004","90","","90.852","0.002","90","","1623.72","0.07","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[La2(H2O)2(nmp)2(C6H2N2O4)3]","","- C28 H28 La2 N8 O16 -","- C28 H28 La2 N8 O16 -","- C56 H56 La4 N16 O32 -","2","0.5","","Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.","Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid","RSC Advances","2020","10","63","38252","38259","10.1039/D0RA08485A","","x-ray","0.71073","MoKα","","0.0322","0.0285","","","0.0685","0.07","","","","","","1.097","","","","has coordinates,has disorder","258448","2020-10-21","18:00:00",""
"7241407","6.0453","0.0002","12.686","0.0005","13.2051","0.0005","62.174","0.004","86.835","0.003","87.582","0.003","894.09","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","[Y2(H2O)4(C6H2N2O4)3]*NMP*5H2O","","- C23 H33 N7 O22 Y2 -","- C18 H18 N6 O18 Y2 -","- C18 H18 N6 O18 Y2 -","1","0.5","","Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.","Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid","RSC Advances","2020","10","63","38252","38259","10.1039/D0RA08485A","","x-ray","0.71073","MoKα","","0.0449","0.0378","","","0.0871","0.0896","","","","","","1.065","","","","has coordinates","258448","2020-10-21","18:00:00",""
"7241408","7.1634","0.0001","17.9692","0.0003","13.1115","0.0002","90","","101.212","0.002","90","","1655.51","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F N2 O8 -","- C19 H13 F N2 O8 -","- C76 H52 F4 N8 O32 -","4","1","","Lv, Wen-Ting; Liu, Xiao-Xu; Dai, Xia-Lin; Long, Xiangtian; Chen, Jia-Mei","A 5-fluorouracil-kaempferol drug-drug cocrystal: ternary phase diagram, characterization and property evaluation","CrystEngComm","2020","","","","","10.1039/D0CE01289K","","x-ray","1.54184","CuKα","","0.0467","0.0438","","","0.1172","0.1197","","","","","","1.069","","","","has coordinates","258456","2020-10-21","18:00:00",""
"7241409","12.863","0.004","7.173","0.002","16.464","0.005","90","","90","","90","","1519.1","0.8","296.15","","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0994","0.0472","","","0.1207","0.1486","","","","","","1.024","","","","has coordinates,has disorder","259604","2020-12-06","14:25:42",""
"7241410","20.029","0.003","20.029","0.003","9.929","0.003","90","","90","","90","","3983.1","1.5","296","2","296","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C176 H224 N16 O16 -","8","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1293","0.0577","","","0.1304","0.1664","","","","","","1.001","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241411","11.9503","0.0006","12.9375","0.0006","19.6351","0.001","90","","90","","90","","3035.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N7 S2 -","- C27 H47 N7 S2 -","- C108 H188 N28 S8 -","4","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0518","0.0407","","","0.0952","0.1016","","","","","","1.048","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241412","12.003","0.007","19.823","0.011","16.309","0.009","90","","111.59","","90","","3608","4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N7 O2 -","- C28 H49 N7 O2 -","- C112 H196 N28 O8 -","4","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1252","0.0574","","","0.1321","0.1506","","","","","","0.787","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241413","12.8442","0.0007","17.5019","0.0009","18.6407","0.0009","63.996","0.001","70.836","0.001","69.475","0.001","3450.4","0.3","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H115 N14 O9 -","- C62 H115 N14 O9 -","- C124 H230 N28 O18 -","2","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1006","0.0793","","","0.228","0.2485","","","","","","1.041","","","","has coordinates,has disorder","259604","2020-12-06","14:25:43",""
"7241414","8.279","0.017","11.9","0.03","20.37","0.04","90","","90","","90","","2007","8","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Phe-Aib-OMe","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","","0.71073","MoKα","","0.0873","0.0586","","","0.1296","0.146","","","","","","0.96","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241415","10.9817","0.0006","5.3645","0.0003","14.6541","0.0009","90","","109.547","0.006","90","","813.54","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","N-PhenylGly-Phe-OMe","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1009","0.1027","","","","","","1.048","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241416","11.6077","0.0004","5.8948","0.0002","23.3133","0.001","90","","100.55","0.004","90","","1568.25","0.1","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Gly-Aib-OMe","","","- C12 H22 N2 O5 -","- C12 H22 N2 O5 -","- C48 H88 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0618","0.0465","","","0.1188","0.1307","","","","","","1.05","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241417","8.3923","0.0009","12.7253","0.0014","14.656","0.0015","90","","90.072","0.002","90","","1565.2","0.3","298","2","298","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","((E)-1-(2,6-dichlorophenyl)-3-((methylselanyl)methylene)indolin-2-one","","- C16 H11 Cl2 N O Se -","- C16 H11 Cl2 N O Se -","- C64 H44 Cl8 N4 O4 Se4 -","4","1","","Ruberte, Ana Carolina; Aydillo, Carlos; Sharma, Arun K.; Sanmartín, Carmen; Plano, Daniel","Vilsmeier reagent, NaHSe and diclofenac acid chloride: one-pot synthesis of a novel selenoindolinone with potent anticancer activity","RSC Advances","2020","10","63","38404","38408","10.1039/D0RA07332F","","x-ray","0.71073","MoKα","","0.0531","0.0365","","","0.0966","0.1049","","","","","","1.037","","","","has coordinates","258491","2020-10-21","18:00:00",""
"7241418","17.2953","0.0007","13.8502","0.0005","20.9305","0.0007","90","","90","","90","","5013.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Br Cl3 N7 O -","- C23 H23 Br Cl3 N7 O -","- C184 H184 Br8 Cl24 N56 O8 -","8","1","","Nandikolla, Adinarayana; Srinivasarao, Singireddi; Karan Kumar, Banoth; Murugesan, Sankaranarayanan; Aggarwal, Himanshu; Major, Louise L.; Smith, Terry K.; Chandra Sekhar, Kondapalli Venkata Gowri","Synthesis, study of antileishmanial and antitrypanosomal activity of imidazo pyridine fused triazole analogues","RSC Advances","2020","10","63","38328","38343","10.1039/D0RA07881F","","x-ray","0.71073","MoKα","","0.0411","0.0292","","","0.0725","0.0791","","","","","","1.0393","","","","has coordinates,has disorder","258492","2020-10-21","18:00:00",""
"7241421","8.8768","0.0017","8.8907","0.0018","9.3073","0.0018","87.751","0.003","68.299","0.002","82.837","0.003","677.1","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","1","1","","Li, Si-Jia; Huang, Jian; He, Jin-Yu; Zhang, Rui-Jin; Qian, Hao-Dong; Dai, Xue-Lin; Kong, Han-Han; Xu, Hao","Highly enantioselective copper-catalyzed propargylic amination to access N-tethered 1,6-enynes","RSC Advances","2020","10","63","38478","38483","10.1039/D0RA07698H","","","0.71073","MoKα","","0.0443","0.036","","","0.0894","0.093","","","","","","0.999","","","","has coordinates","258506","2020-10-21","04:06:08",""
"7241422","28.442","0.001","11.1139","0.0004","11.4467","0.0004","90","","90.78","0.002","90","","3618","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl-2-(1-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-pyrazol-5-yl)acetate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C152 H144 N16 O32 S8 -","8","1","","Laube, Markus; Gassner, Cemena; Neuber, Christin; Wodtke, Robert; Ullrich, Martin; Haase-Kohn, Cathleen; Löser, Reik; Köckerling, Martin; Kopka, Klaus; Kniess, Torsten; Hey-Hawkins, Evamarie; Pietzsch, Jens","Deuteration versus ethylation ‒ strategies to improve the metabolic fate of an 18F-labeled celecoxib derivative","RSC Advances","2020","10","63","38601","38611","10.1039/D0RA04494F","","","0.71073","MoKα","","0.0445","0.0358","","","0.1041","0.1124","","","","","","1.033","","","","has coordinates","258507","2020-10-21","04:06:41",""
"7241423","11.2831","0.0003","11.9926","0.0003","14.2709","0.0004","92.663","0.001","105.904","0.001","115.409","0.001","1647.31","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","3-(2-Fluoroethyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole","","- C18 H17 F N2 O2 S -","- C18 H17 F N2 O2 S -","- C72 H68 F4 N8 O8 S4 -","4","2","","Laube, Markus; Gassner, Cemena; Neuber, Christin; Wodtke, Robert; Ullrich, Martin; Haase-Kohn, Cathleen; Löser, Reik; Köckerling, Martin; Kopka, Klaus; Kniess, Torsten; Hey-Hawkins, Evamarie; Pietzsch, Jens","Deuteration versus ethylation ‒ strategies to improve the metabolic fate of an 18F-labeled celecoxib derivative","RSC Advances","2020","10","63","38601","38611","10.1039/D0RA04494F","","","0.71073","MoKα","","0.0491","0.0391","","","0.1069","0.1149","","","","","","1.032","","","","has coordinates,has disorder","258507","2020-10-21","04:06:44",""
"7241424","8.4964","0.0004","14.0972","0.0006","11.1992","0.0005","90","","95.924","0.004","90","","1334.23","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0477","0.039","","","0.1024","0.1083","","","","","","1.02","","","","has coordinates","258508","2020-10-21","04:08:27",""
"7241425","15.8673","0.0007","10.0421","0.0004","24.2618","0.0012","90","","91.637","0.004","90","","3864.3","0.3","296.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C176 H168 N24 O48 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1282","0.1445","","","","","","1.013","","","","has coordinates,has disorder","258508","2020-10-21","04:08:29",""
"7241426","8.3319","0.0003","12.7546","0.0006","12.3732","0.0007","90","","99.089","0.004","90","","1298.39","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0813","0.0461","","","0.0895","0.1021","","","","","","1.017","","","","has coordinates","258508","2020-10-21","04:08:29",""
"7241427","15.2515","0.0004","6.7577","0.0002","13.2137","0.0003","90","","101.876","0.002","90","","1332.72","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","1.54184","CuKα","","0.0549","0.0499","","","0.1444","0.1531","","","","","","1.035","","","","has coordinates","258508","2020-10-21","04:08:29",""
"7241428","24.7572","0.0013","7.6282","0.0005","13.3499","0.0006","90","","90","","90","","2521.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0986","0.0511","","","0.0894","0.1052","","","","","","0.899","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241429","9.788","0.002","8.4727","0.001","18.273","0.003","90","","103.86","0.02","90","","1471.3","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1854","0.0815","","","0.1226","0.1578","","","","","","0.991","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241430","39.4655","0.0016","5.4865","0.0003","16.4148","0.0007","90","","95.157","0.004","90","","3539.9","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C168 H136 N24 O40 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","1.54184","CuKα","","0.0573","0.0439","","","0.1273","0.1402","","","","","","1.054","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241431","6.5511","0.0006","22.351","0.003","9.0707","0.0012","90","","97.757","0.011","90","","1316","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1038","0.0586","","","0.143","0.1809","","","","","","1.01","","","","has coordinates","258508","2020-10-21","04:08:31",""
"7241432","24.7095","0.0014","10.1996","0.0007","20.762","0.0014","90","","99.252","0.005","90","","5164.5","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C224 H208 N48 O48 -","16","4","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1312","0.0598","","","0.1132","0.1427","","","","","","0.985","","","","has coordinates","258508","2020-10-21","04:08:31",""
"7241433","8.056","0.007","9.746","0.009","10.356","0.01","116.09","0.017","91.31","0.017","108.693","0.016","678.8","1.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C32 H22 F6 O4 -","2","1","","Jha, Babli K.; Prudhviraj, Jaggaraju; Mainkar, Prathama S.; Punna, Nagender; Chandrasekhar, Srivari","Diastereoselective synthesis of CF3-dihydrobenzofurans by [4+1] annulation of in situ-generated CF3-o-quinone methides and sulfur ylides","RSC Advances","2020","10","63","38588","38591","10.1039/D0RA08289A","","","0.71073","MoKα","","0.0722","0.0538","","","0.1353","0.1524","","","","","","1.049","","","","has coordinates","258509","2020-10-21","04:09:30",""
"7241436","13.8553","0.0013","14.7279","0.0014","17.3368","0.0016","77.107","0.002","69.802","0.002","85.275","0.002","3236.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H15 Au F13 P -","- C36 H15 Au F13 P -","- C144 H60 Au4 F52 P4 -","4","2","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0523","0.0406","","","0.0969","0.1033","","","","","","1.002","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241437","14.723","0.002","12.174","0.0018","24.203","0.004","90","","99.761","0.003","90","","4275.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H18 Au Cl5 F15 P -","- C43 H18 Au Cl5 F15 P -","- C172 H72 Au4 Cl20 F60 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0489","0.0392","","","0.0935","0.0976","","","","","","0.999","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241438","8.861","0.003","9.823","0.004","19.31","0.007","83.09","0.006","89.197","0.007","77.683","0.007","1630","1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H20 Au F10 P -","- C37 H20 Au F10 P -","- C74 H40 Au2 F20 P2 -","2","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0481","0.0395","","","0.091","0.1021","","","","","","1.026","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241439","10.384","0.0004","15.1675","0.0006","24.3914","0.001","90","","96.95","0.004","90","","3813.4","0.3","200.1","0.3","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H16 Au Cl5 F13 P -","- C37 H16 Au Cl5 F13 P -","- C148 H64 Au4 Cl20 F52 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0474","0.0355","","","0.0694","0.0733","","","","","","1.035","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241440","29.979","0.005","29.979","0.005","23.525","0.009","90","","90","","120","","18310","8","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H20 Au Cl2 F10 P -","- C37 H20 Au Cl2 F10 P -","- C666 H360 Au18 Cl36 F180 P18 -","18","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.129","0.0595","","","0.1254","0.1475","","","","","","0.905","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241441","22.855","0.006","18.306","0.005","18.508","0.005","90","","107.093","0.005","90","","7401","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H17 Au F15 P -","- C42 H17 Au F15 P -","- C336 H136 Au8 F120 P8 -","8","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0905","0.0593","","","0.1069","0.1164","","","","","","1.094","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241442","8.3201","0.0001","11.5563","0.0002","18.7213","0.0003","95.4904","0.0013","96.5217","0.0013","91.8701","0.0014","1778.47","0.05","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O8 S -","- C31.5 H49 N5 O8 S -","- C63 H98 N10 O16 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0502","0.0483","","","0.1276","0.1308","","","","","","1.068","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241443","13.2585","0.0007","12.4082","0.0006","22.8754","0.001","90","","94.548","0.004","90","","3751.5","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.56 H49.63 Cl1.44 N5 O8.52 S -","- C30.557 H49.633 Cl1.443 N5 O8.519 S -","- C122.228 H198.532 Cl5.772 N20 O34.076 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.1186","0.0661","","","0.1722","0.2188","","","","","","1.074","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241444","8.2771","0.0001","11.408","0.0003","19.4068","0.0004","89.945","0.002","79.642","0.001","88.733","0.002","1802.18","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O9 S -","- C31.5 H49 N5 O9 S -","- C63 H98 N10 O18 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54184","CuKα","","0.0505","0.0446","","","0.1282","0.135","","","","","","1.108","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241445","13.8934","0.0004","15.6619","0.0003","16.0905","0.0004","90","","108.069","0.003","90","","3328.58","0.15","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Br N5 O8 S -","- C27 H42 Br N5 O8 S -","- C108 H168 Br4 N20 O32 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","0.71075","MoKα","","0.068","0.0524","","","0.1143","0.1213","","","","","","1.053","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241446","18.01208","0.00008","16.32819","0.00008","22.3516","0.0001","90","","90","","90","","6573.71","0.05","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H45 N5 O8 S -","- C28 H45 N5 O8 S -","- C224 H360 N40 O64 S8 -","8","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0435","0.0409","","","0.1179","0.12","","","","","","1.024","","","","has coordinates","259282","2020-11-29","02:22:40",""
"7241449","13.2389","0.0006","14.3168","0.0007","19.9089","0.001","71.557","0.004","74.917","0.004","75.843","0.003","3401.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.5 H59 Ce3 N4.5 O24.5 -","- C64.5 H59 Ce3 N4.5 O24.4999 -","- C129 H118 Ce6 N9 O48.9998 -","2","1","","Wasson, Megan C.; Otake, Ken-ichi; Gong, Xinyi; Strathman, Annabella R.; Islamoglu, Timur; Gianneschi, Nathan C.; Farha, Omar K.","Modulation of crystal growth and structure within cerium-based metal‒organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE01223H","","","1.54178","CuKα","","0.0729","0.0527","","","0.1235","0.1338","","","","","","1.017","","","","has coordinates,has disorder","259284","2020-11-29","02:24:22",""
"7241450","24.3727","0.0011","5.3458","0.0002","36.3946","0.0017","90","","106.501","0.005","90","","4546.6","0.4","159.99","0.1","159.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.0889","0.0554","","","0.1366","0.1571","","","","","","1.035","","","","has coordinates","259285","2020-11-29","02:25:00",""
"7241451","21.7077","0.0006","5.1464","0.0001","22.8388","0.0004","90","","94.345","0.002","90","","2544.14","0.1","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.07","0.0509","","","0.1345","0.1496","","","","","","1.032","","","","has coordinates","259285","2020-11-29","02:25:01",""
"7241452","6.9033","0.0007","21.7637","0.0019","7.8394","0.0006","90","","116.004","0.003","90","","1058.57","0.17","260","2","260","","","","","","","","","5","P 1 21 1","P 2yb","4","","DOST","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Yu, Zhe; Wang, Tianhua; Wang, Guanjun; Xu, Kai; Cui, Qingtang; Cao, Lifeng; Teng, Bing","Synthesis, growth, structure analysis and performance characterization of DOST crystal: a nonlinear functional material with a wide range of applications","CrystEngComm","2020","","","","","10.1039/D0CE01243B","","","0.71073","MoKα","","0.0798","0.0499","","","0.0933","0.1078","","","","","","1.054","","","","has coordinates","259286","2020-11-29","02:25:26",""
"7241454","9.779","0.0004","10.111","0.0004","18.6534","0.0008","90","","101.536","0.002","90","","1807.11","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cu3 N14 O12 -","- C24 H38 Cu3 N14 O12 -","- C48 H76 Cu6 N28 O24 -","2","0.5","","Dolai, Malay; Saha, Urmila; Biswas, Surajit; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha","DNA intercalative trinuclear Cu(ii) complex with new trans axial nitrato ligation as an efficient catalyst for atmospheric CO2 fixation to epoxides","CrystEngComm","2020","","","","","10.1039/D0CE01152E","","","0.71073","MoKα","","0.068","0.0416","","","0.1048","0.1158","","","","","","1.005","","","","has coordinates","259288","2020-11-29","02:26:14",""
"7241463","4.848","0.0002","5.7558","0.0002","27.297","0.0012","89.436","0.003","89.331","0.002","84.313","0.002","757.87","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.0648","0.0531","","","0.1194","0.1224","","","","","","1.158","","","","has coordinates","259291","2020-11-29","02:29:28",""
"7241464","4.8398","0.0005","5.8172","0.0006","28.1649","0.0017","90.457","0.006","91.51","0.006","95.03","0.007","789.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.1878","0.0934","","","0.2207","0.2497","","","","","","1.044","","","","has coordinates","259291","2020-11-29","02:29:29",""
"7241477","8.0113","0.0003","9.6951","0.0003","13.9342","0.0004","90","","106.624","0.0013","90","","1037.04","0.06","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0645","0.0453","","","0.0975","0.1085","","","","","","1.054","","","","has coordinates","259294","2020-11-29","02:34:17",""
"7241478","6.358","0.002","7.684","0.003","11.573","0.004","91.215","0.013","104.219","0.011","94.232","0.012","546.1","0.3","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F5 N O S -","- C9 H6 F5 N O S -","- C18 H12 F10 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.093","0.0594","","","0.1431","0.1678","","","","","","1.044","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241479","7.0984","0.0002","21.9932","0.0006","6.5396","0.0002","90","","90","","90","","1020.94","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 N2 O3 S -","- C9 H10 N2 O3 S -","- C36 H40 N8 O12 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0377","0.0321","","","0.0752","0.0791","","","","","","1.05","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241480","37.1149","0.0009","5.5443","0.0001","12.8872","0.0003","90","","95.9708","0.001","90","","2637.49","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C96 H136 N8 O32 S8 -","8","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0409","0.0346","","","0.0904","0.095","","","","","","1.043","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241481","8.7175","0.0004","9.9546","0.0004","12.4668","0.0005","90","","99.0234","0.0016","90","","1068.47","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.061","0.042","","","0.0977","0.1094","","","","","","1.032","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241482","8.1419","0.0002","9.5362","0.0003","13.6861","0.0004","90","","105.417","0.001","90","","1024.39","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C36 H40 Cl4 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0569","0.0382","","","0.0782","0.0878","","","","","","1.029","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241483","10.683","0.005","15.115","0.007","8.801","0.004","90","","90","","90","","1421.1","1.1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H9 F6 N O S -","- C11 H9 F6 N O S -","- C44 H36 F24 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0785","0.0376","","","0.079","0.0987","","","","","","1.047","","","","has coordinates,has disorder","259294","2020-11-29","02:34:19",""
"7241484","7.32","0.0003","11.5744","0.0005","13.5992","0.0005","80.8887","0.0015","80.9328","0.0014","80.5041","0.0017","1111.79","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0866","0.0513","","","0.1032","0.1189","","","","","","1.03","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241485","8.4215","0.0003","14.1614","0.0007","8.8819","0.0004","90","","108.134","0.002","90","","1006.65","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0784","0.0549","","","0.1328","0.1504","","","","","","1.04","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241486","34.119","0.0014","5.5552","0.0003","32.3777","0.0013","90","","90","","90","","6136.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C304 H240 N16 O16 S16 -","16","4","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1389","0.0721","","","0.1548","0.185","","","","","","1.031","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241487","11.9751","0.001","5.8514","0.0005","8.4304","0.0006","90","","103.293","0.003","90","","574.9","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1215","0.0936","","","0.2256","0.2591","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241488","7.3327","0.0006","10.8014","0.0009","12.9437","0.0011","88.123","0.003","86.737","0.003","76.071","0.003","993.23","0.14","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F N O S -","- C9 H10 F N O S -","- C36 H40 F4 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0733","0.0506","","","0.1251","0.1416","","","","","","1.036","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241489","17.044","0.002","5.763","0.0007","18.072","0.002","90","","117.231","0.004","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1248","0.0903","","","0.2083","0.2399","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241490","7.2726","0.0002","7.4019","0.0002","19.9994","0.0004","90","","97.972","0.001","90","","1066.18","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N O S -","- C9 H9 Cl2 N O S -","- C36 H36 Cl8 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0426","0.0321","","","0.074","0.0802","","","","","","1.061","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241496","7.1053","0.0002","7.9388","0.0003","18.2289","0.0006","90","","96.723","0.001","90","","1021.18","0.06","240","2","240.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F N5 O3 -","- C20 H26 F N5 O3 -","- C40 H52 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54184","CuKα","","0.0363","0.034","","","0.0879","0.0908","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:20",""
"7241497","6.9625","0.0002","7.9457","0.0002","17.9395","0.0005","90","","94.339","0.001","90","","989.6","0.05","241","2","240.83","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F N5 O3 -","- C19 H24 F N5 O3 -","- C38 H48 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0302","0.0293","","","0.0736","0.0746","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241498","7.1057","0.0002","7.8894","0.0002","15.5407","0.0004","90","","97.325","0.001","90","","864.1","0.04","240","2","240","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F N5 O2 -","- C18 H20 F N5 O2 -","- C36 H40 F2 N10 O4 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0294","0.0292","","","0.0787","0.079","","","","","","0.915","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241506","9.516","0.005","11.674","0.005","11.894","0.005","112.366","0.005","112.21","0.005","96.653","0.005","1077.9","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Co0.5 Mo4 N4 O14 -","- C13 H10 Co0.5 Mo4 N4 O14 -","- C26 H20 Co Mo8 N8 O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71069","MoKα","K-L~3~","0.0284","0.0219","","","0.0587","0.0634","","","","","","1.0545","","","","has coordinates","259301","2020-11-29","02:40:24",""
"7241507","9.4894","0.0008","11.5879","0.0009","11.8821","0.001","112.196","0.001","112.175","0.001","96.767","0.002","1067.36","0.15","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C26 H22 Mo8 N8 Ni O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0288","0.0223","","","0.0601","0.0651","","","","","","1.0552","","","","has coordinates","259301","2020-11-29","02:40:25",""
"7241508","9.442","0.002","11.678","0.003","11.863","0.003","111.96","0.005","112.088","0.004","96.905","0.005","1071.1","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C26 H22 Mo8 N8 O28 Zn -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0787","0.0399","","","0.0633","0.0761","","","","","","1.0241","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241509","12.4178","0.0012","11.4533","0.0012","15.9736","0.0016","90","","102.774","0.002","90","","2215.6","0.4","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu Mo4 N4 O15 -","- C13 H10 Cu Mo4 N4 O15 -","- C52 H40 Cu4 Mo16 N16 O60 -","4","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.07","0.0396","","","0.0829","0.0951","","","","","","0.993","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241510","6.9299","0.0011","6.9584","0.001","15.946","0.002","99.753","0.005","96.384","0.005","98.812","0.005","741.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5-Fluorouracil Caffeic Acid","5-Fluoropyrimidine-2,4(1H,3H)-dione 3-(3,4-dihydroxyphenyl)acrylic acid","","- C13 H15 F N2 O8 -","- C13 H15 F N2 O8 -","- C26 H30 F2 N4 O16 -","2","1","","Yu, Yue-Ming; Wang, Ling-Yang; Bu, Fan-Zhi; Wang, Lin-Lin; Li, Yan-Tuan; Wang, Cheng; Wu, Zhi-Yong","The supramolecular self-assembly of 5-fluorouracil and caffeic acid through cocrystallization strategy opens up a new way for the development of synergistic antitumor pharmaceutical cocrystal","CrystEngComm","2020","22","45","7992","8006","10.1039/D0CE01297A","","","0.71073","MoKα","","0.155","0.0688","","","0.1339","0.1582","","","","","","1.048","","","","has coordinates","259302","2020-11-29","02:40:59",""
"7241539","27.515","0.007","19.112","0.005","27.087","0.007","90","","102.745","0.003","90","","13893","6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 O84 Pr11 -","- C76 H72 Ge12 N16 O80 Pr11 -","- C304 H288 Ge48 N64 O320 Pr44 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.0715","0.0503","","","0.1263","0.1416","","","","","","1.007","","","","has coordinates","259309","2020-11-29","02:49:26",""
"7241540","27.547","0.005","19.086","0.004","27.056","0.005","90","","103.12","0.002","90","","13854","5","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 Nd11 O84 -","- C76 H72 Ge12 N16 Nd11 O80 -","- C304 H288 Ge48 N64 Nd44 O320 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.1029","0.068","","","0.1691","0.1946","","","","","","0.999","","","","has coordinates","259309","2020-11-29","02:49:27",""
"7241551","8.4843","0.0006","12.6359","0.001","12.9071","0.001","118.091","0.002","92.772","0.003","90.816","0.003","1218.22","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0687","0.0406","","","0.0868","0.0975","","","","","","1.015","","","","has coordinates,has disorder","259311","2020-11-29","02:52:52",""
"7241552","10.1384","0.0003","11.2472","0.0003","14.7855","0.0005","86.445","0.002","70.913","0.001","83.187","0.002","1581.55","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0708","0.037","","","0.0714","0.0796","","","","","","1","","","","has coordinates","259311","2020-11-29","02:52:53",""
"7241553","10.7273","0.0017","13.272","0.0018","13.4848","0.0019","113.935","0.003","91.71","0.004","107.802","0.004","1644.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.1104","0.0504","","","0.0905","0.1027","","","","","","1.014","","","","has coordinates,has disorder","259311","2020-11-29","02:52:54",""
"7241554","10.6805","0.0005","10.9041","0.0004","24.3091","0.001","79.476","0.001","82.372","0.001","63.21","0.001","2480.58","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0773","0.043","","","0.0871","0.0977","","","","","","1.004","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241555","15.692","0.003","16.767","0.003","22.256","0.004","90","","96.41","0.009","90","","5819.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128 H96 As4 O34 U4 -","- C128 H96 As4 O34 U4 -","- C256 H192 As8 O68 U8 -","2","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0942","0.0468","","","0.0793","0.092","","","","","","0.991","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241567","13.2794","0.0009","18.7657","0.0013","22.0251","0.0013","90","","112.835","0.003","90","","5058.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H31 N7 Ni6 O45 P W9 -","- C8 N7 Ni6 O45 P W9 -","- C32 N28 Ni24 O180 P4 W36 -","4","1","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0593","0.0463","","","0.1013","0.1055","","","","","","1.165","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241568","21.851","0.002","21.0544","0.0019","16.796","0.0015","90","","90","","90","","7727.2","1.2","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C72 H114 N20 Ni12 O78 P2 W18 -","- C72 N20 Ni12 O78 P2 W18 -","- C144 N40 Ni24 O156 P4 W36 -","2","0.25","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0378","0.0317","","","0.0842","0.0876","","","","","","0.993","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241569","9.6037","0.0004","9.8432","0.0004","10.2613","0.0004","68.903","0.001","83.98","0.001","68.045","0.001","838.87","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0377","0.0329","","","0.0839","0.0874","","","","","","1.066","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241570","3.6795","0.0007","9.855","0.002","10.425","0.002","116.097","0.002","97.436","0.002","97.188","0.002","329.52","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0395","0.036","","","0.0957","0.0994","","","","","","1.05","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241571","9.6812","0.0002","9.8923","0.0002","10.3777","0.0003","70.346","0.001","83.328","0.001","67.442","0.001","864.26","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0743","0.0526","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241572","3.7614","0.0003","9.8932","0.0007","10.4498","0.0007","116.121","0.001","96.721","0.001","98.409","0.001","338.11","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1215","0.1264","","","","","","1.098","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241573","6.017","0.001","18.34","0.003","11.778","0.002","90","","99.387","0.003","90","","1282.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0803","0.0695","","","0.1771","0.1862","","","","","","1.059","","","","has coordinates,has disorder","259315","2020-11-29","02:57:27",""
"7241574","21.847","0.001","6.9981","0.0004","26.359","0.002","90","","102.17","0.001","90","","3939.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.073","0.0532","","","0.1627","0.1802","","","","","","1.057","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241575","5.8215","0.0008","18.363","0.002","11.592","0.002","90","","100.266","0.002","90","","1219.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0425","0.0375","","","0.1009","0.1057","","","","","","1.045","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241576","8.74","0.001","9.849","0.001","13.663","0.002","73.285","0.002","72.292","0.002","72.343","0.002","1042.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C24 H20 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0663","0.0605","","","0.1713","0.1795","","","","","","1.052","","","","has coordinates","259315","2020-11-29","02:57:28",""
"7241577","8.7731","0.0005","9.8652","0.0005","13.9929","0.0007","73.741","0.002","72.89","0.002","72.483","0.002","1079.17","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C24 H20 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.1641","0.0936","","","0.237","0.293","","","","","","1.018","","","","has coordinates","259315","2020-11-29","02:57:28",""
"7241578","21.654","0.003","6.948","0.001","25.748","0.004","90","","101.148","0.002","90","","3800.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0491","0.0444","","","0.1225","0.1267","","","","","","1.067","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241585","13.1882","0.0004","14.8316","0.0007","17.8325","0.0007","90.537","0.003","104.715","0.003","109.659","0.003","3159.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Mo12 N8 O44 P -","- C36 H43 Mo12 N8 O44 P -","- C72 H86 Mo24 N16 O88 P2 -","2","1","","Ji, Ning-Ning; Shi, Zhi-Qiang; Xie, Xiao-Xin; Li, Gang","Polyoxometalate-based hydrogen-bonded organic frameworks as a new class of proton conducting materials","CrystEngComm","2020","","","","","10.1039/D0CE01578D","","x-ray","1.54184","CuKα","","0.0633","0.0485","","","0.1173","0.1296","","","","","","1.038","","","","has coordinates","259319","2020-11-29","03:00:29",""
"7241586","6.6967","0.0002","5.7405","0.0002","20.7844","0.0007","90","","94.953","0.003","90","","796.02","0.05","107","","107","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0394","0.0331","","","0.0866","0.0906","","","","","","1.041","","","","has coordinates","259320","2020-11-29","03:01:06",""
"7241587","7.2043","0.0003","11.578","0.0004","11.3815","0.0004","90","","105.771","0.003","90","","913.61","0.06","107.24","","107.24","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0564","0.0459","","","0.1251","0.1311","","","","","","1.116","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241588","5.3882","0.0001","8.4135","0.0002","14.8002","0.0004","77.6","0.002","80.086","0.002","88.273","0.002","645.49","0.03","100","0.13","100","0.13","","","","","","","","3","P -1","-P 1","2","CBDA10coEA","","","- C26 H32 O12 -","- C26 H32 O12 -","- C26 H32 O12 -","1","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.0954","0.0982","","","","","","1.091","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241589","8.841","0.003","10.807","0.003","9.978","0.003","90","","112.64","0.02","90","","879.9","0.5","107.02","","107.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CBDE-10","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.1418","0.0919","","","0.2103","0.2311","","","","","","1.089","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241600","10.792","0.0004","18.8461","0.0008","13.1548","0.0005","90","","97.925","0.001","90","","2649.96","0.18","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O7 Zn -","- C28 H22 N4 O7 Zn -","- C112 H88 N16 O28 Zn4 -","4","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.052","0.0342","","","0.0923","0.101","","","","","","1.021","","","","has coordinates","259325","2020-11-29","03:05:09",""
"7241601","29.2681","0.001","10.0831","0.0003","22.0305","0.0008","90","","129.908","0.001","90","","4987.1","0.3","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0459","0.0343","","","0.093","0.1014","","","","","","1.005","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241602","7.482","0.0003","8.3416","0.0004","14.5588","0.0006","78.944","0.001","87.671","0.001","76.222","0.001","866.11","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cd N2 O6 -","- C18 H15 Cd N2 O6 -","- C36 H30 Cd2 N4 O12 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0213","0.0195","","","0.0507","0.0521","","","","","","1.025","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241603","9.6024","0.0008","11.8975","0.0011","13.2665","0.0012","113.334","0.002","103.141","0.002","102.592","0.002","1272.3","0.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 Zn -","- C28 H23 N4 O7 Zn -","- C56 H46 N8 O14 Zn2 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0689","0.0442","","","0.0939","0.1035","","","","","","1.006","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241624","10.7532","0.0004","22.6105","0.0009","13.3665","0.0006","90","","93.588","0.004","90","","3243.5","0.2","100","0.11","100","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl N3 O6 -","- C33 H36 Cl N3 O6 -","- C132 H144 Cl4 N12 O24 -","4","2","","Cheng, Cheng; Li, Ying-Xian; Jia, Xue-Min; Zhang, Ji-Quan; Zhao, Yong-Long; Feng, Wei; Tang, Lei; Yang, Yuan-Yong","Enantioselective amination of 4-alkylisoquinoline-1,3(2H,4H)-dione derivatives","RSC Advances","2020","10","70","42912","42915","10.1039/D0RA07806A","","x-ray","1.54184","CuKα","","0.0785","0.075","","","0.2168","0.2191","","","","","","1.061","","","","has coordinates","259345","2020-11-30","04:58:26",""
"7241625","13.7938","0.0002","14.3012","0.0002","19.4614","0.0002","78.627","0.001","72.479","0.001","74.717","0.001","3502.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H96 N6 O -","- C82 H96 N6 O -","- C164 H192 N12 O2 -","2","1","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0505","0.0453","","","0.1199","0.1249","","","","","","1.045","","","","has coordinates","259346","2020-11-30","04:59:06",""
"7241626","12.2815","0.0002","10.7523","0.0003","23.4308","0.0004","90","","94.34","0.001","90","","3085.27","0.11","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H88 N6 -","- C72 H88 N6 -","- C144 H176 N12 -","2","0.5","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0599","0.0489","","","0.1226","0.1307","","","","","","1.025","","","","has coordinates,has disorder","259346","2020-11-30","04:59:06",""
"7241627","9.7054","0.0002","9.9914","0.0002","17.4974","0.0003","98.095","0.001","90.767","0.001","90.03","0.001","1679.67","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","4","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0472","0.0422","","","0.1124","0.1157","","","","","","1.054","","","","has coordinates","259346","2020-11-30","04:59:06",""
"7241628","14.469","0.0008","8.495","0.0005","16.6496","0.001","90","","103.033","0.002","90","","1993.8","0.2","100","2","100","2","","","","","","","Streptomyces sp. DASNCL29","3","P 1 21 1","P 2yb","4","","Nigericin","","- C40 H66 O11 -","- C40 H68 O11 -","- C80 H136 O22 -","2","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0555","0.045","","","0.1019","0.1077","","","","","","1.046","","","","has coordinates","259347","2020-11-30","04:59:49",""
"7241629","12.0282","0.0003","14.464","0.0004","24.0974","0.0008","90","","90","","90","","4192.4","0.2","100","2","100","2","","","","","","","Streptomyces sp DASNCL29","3","P 21 21 21","P 2ac 2ab","19","","NIGERICIN","","- C40 H68 O11 -","- C40 H70 O12 -","- C160 H280 O48 -","4","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0428","0.0416","","","0.1238","0.125","","","","","","1.197","","","","has coordinates","259347","2020-11-30","04:59:50",""
"7241630","9.46352","0.00014","12.66738","0.00018","12.98267","0.00014","116.784","0.0013","100.583","0.0012","98.7407","0.0012","1315.96","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 P4 Ru S2 -","- C64 H54 P4 Ru S2 -","- C64 H54 P4 Ru S2 -","1","0.5","","Kuhrt, Robert; Ho, Po-Yuen; Hantusch, Martin; Lissel, Franziska; Blacque, Olivier; Knupfer, Martin; Büchner, Bernd","Synthesis and charge transfer characteristics of a ruthenium‒acetylide complex","RSC Advances","2020","10","70","43242","43247","10.1039/D0RA08390A","","x-ray","1.54184","CuKα","","0.0254","0.025","","","0.0641","0.0643","","","","","","1.049","","","","has coordinates,has disorder","259348","2020-11-30","05:00:12",""
"7241631","9.7692","0.0018","6.5564","0.0012","19.064","0.004","90","","91.926","0.007","90","","1220.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N2 O10 -","- C22 H26 Cu2 N2 O10 -","- C44 H52 Cu4 N4 O20 -","2","0.5","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.0632","0.0367","","","0.0768","0.0841","","","","","","1.081","","","","has coordinates","259349","2020-11-30","05:00:49",""
"7241632","9.735","0.002","8.646","0.002","13.038","0.003","90","","96.096","0.007","90","","1091.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","- C40 H44 Cu4 N4 O20 -","2","0.5","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.1399","0.0778","","","0.1955","0.2237","","","","","","1.038","","","","has coordinates","259349","2020-11-30","05:00:50",""
"7241633","7.4851","0.0004","13.4109","0.0007","21.5161","0.0011","90","","90","","90","","2159.8","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C80 H88 Cu8 N8 O40 -","8","1","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.0471","0.0385","","","0.1115","0.1167","","","","","","1.062","","","","has coordinates","259349","2020-11-30","05:00:50",""
"7241634","5.8738","0.0002","9.4468","0.0004","13.2892","0.0005","90","","90.263","0.003","90","","737.39","0.05","293","","293","","","","","","","","Synthetic","4","P 1 c 1","P -2yc","7","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Merchán-Arenas, Diego R.; Sojo, Felipe; Arvelo, Francisco; Kouznetsov, Vladimir V.","Synthesis of dihydroisoindolo[2,1-a]quinolin-11-ones, their in silico ADMET properties and in vitro antitumor activities","RSC Advances","2020","10","69","42287","42296","10.1039/D0RA04555A","","x-ray","1.54184","CuKα","","0.0526","0.0447","","","0.1158","0.123","","","","","","1.068","","","","has coordinates","259350","2020-11-30","05:01:19",""
"7241648","7.2328","0.0014","19.384","0.004","25.55","0.005","90","","90","","90","","3582.1","1.2","133.15","","133.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C45 H24 Cl N2 O3 Re -","- C45 H24 Cl N2 O3 Re -","- C180 H96 Cl4 N8 O12 Re4 -","4","0.5","","Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian","A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction","Green Chemistry","2020","22","24","8614","8622","10.1039/D0GC03111A","","","0.71073","MoKα","","0.0573","0.0529","","","0.1233","0.1251","","","","","","1.244","","","","has coordinates","260797","2021-01-07","06:41:30",""
"7241650","9.5873","0.0006","12.2766","0.0008","12.9471","0.0008","90","","90","","90","","1523.87","0.17","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F6 O P Ru -","- C14 H17 F6 O P Ru -","- C56 H68 F24 O4 P4 Ru4 -","4","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0145","0.0144","","","0.0364","0.0364","","","","","","1.147","","","","has coordinates","259567","2020-12-05","21:11:55",""
"7241651","9.59","0.002","22.809","0.005","9.636","0.002","90","","94.756","0.003","90","","2100.5","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B11 O Ru -","- C15 H29 B11 O Ru -","- C60 H116 B44 O4 Ru4 -","4","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0852","0.0527","","","0.0963","0.1059","","","","","","1.102","","","","has coordinates,has disorder","259567","2020-12-05","21:11:56",""
"7241652","8.7042","0.001","10.1448","0.0012","12.0722","0.0014","99.046","0.001","95.893","0.001","96.477","0.001","1038.1","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H29 B11 O Ru -","- C15 H29 B11 O Ru -","- C30 H58 B22 O2 Ru2 -","2","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0203","0.0201","","","0.0532","0.0533","","","","","","1.089","","","","has coordinates","259567","2020-12-05","21:11:56",""
"7241653","10.8316","0.0006","13.2433","0.0008","14.1413","0.0009","65.148","0.003","89.961","0.003","71.017","0.003","1718.55","0.19","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 N2 Ni O4 P2 S4 -","- C32 H36 N2 Ni O4 P2 S4 -","- C64 H72 N4 Ni2 O8 P4 S8 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0611","0.0562","","","0.1379","0.1413","","","","","","1.112","","","","has coordinates","259575","2020-12-06","08:33:56",""
"7241654","10.8831","0.0002","12.4185","0.0002","14.1718","0.0003","91.535","0.001","97.539","0.001","109.807","0.001","1781.23","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Co N2 O4 P2 S4 -","- C32 H36 Co N2 O4 P2 S4 -","- C64 H72 Co2 N4 O8 P4 S8 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0346","0.0268","","","0.0623","0.0666","","","","","","1.043","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241655","22.977","0.0004","10.7463","0.0002","15.6178","0.0003","90","","113.004","0.001","90","","3549.65","0.12","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Co N2 O4 P2 S4 -","- C32 H36 Co N2 O4 P2 S4 -","- C128 H144 Co4 N8 O16 P8 S16 -","4","0.5","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0247","0.0226","","","0.0614","0.0629","","","","","","1.05","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241656","49.6546","0.001","11.0919","0.0002","34.707","0.0007","90","","112.976","0.001","90","","17598.9","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cd N2 O4 P2 S4 -","- C32 H36 Cd N2 O4 P2 S4 -","- C640 H720 Cd20 N40 O80 P40 S80 -","20","2.5","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0525","0.0417","","","0.0891","0.0931","","","","","","1.189","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241657","10.0298","0.0001","12.6887","0.0002","14.1918","0.0002","87.038","0.001","78.878","0.001","73.535","0.001","1699.52","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C31.72 H35.16 N2 O4 P2 S4 Zn -","- C31.72 H35.16 N2 O4 P2 S4 Zn -","- C63.44 H70.32 N4 O8 P4 S8 Zn2 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0307","0.0282","","","0.0764","0.0785","","","","","","1.0372","","","","has coordinates,has disorder","259575","2020-12-06","08:33:57",""
"7241658","13.5359","0.0014","5.1353","0.0006","13.931","0.002","90","","103.691","0.005","90","","940.8","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","EG607_200K","","","- C22 H24 N4 O2 -","- C22 H24 N4 O2 -","- C44 H48 N8 O4 -","2","1","","de Miguel, Gustavo; Garzón-Ruiz, Andrés; Navarro, Amparo; García-Frutos, Eva M.","Synthesis and photophysical studies of an indigo derivative: N-octyl-7,7′-diazaindigo","RSC Advances","2020","10","69","42014","42020","10.1039/D0RA06451C","","","0.71073","MoKα","","0.1391","0.064","","","0.1181","0.164","","","","","","1.041","","","","has coordinates","259576","2020-12-06","08:34:39",""
"7241659","10.1667","0.0012","12.3453","0.0013","12.6574","0.0015","62.592","0.004","68.79","0.005","68.138","0.004","1273.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H30 Cl2 Cu N6 O11 -","- C15 H30 Cl2 Cu N6 O11 -","- C30 H60 Cl4 Cu2 N12 O22 -","2","1","","Muddassir, Mohd.; Alarifi, Abdullah; Afzal, Mohd; Alshali, Khulud Abdullah; Abduh, Naaser A. Y.; Beagan, Abeer","A fluorescent Cu(ii) complex as a dual functional sensor for selective and sensitive detection of acetone and Cd(ii) pollutants","RSC Advances","2020","10","69","42137","42146","10.1039/D0RA08073J","","","0.71073","MoKα","","0.0925","0.0503","","","0.0907","0.1041","","","","","","1.047","","","","has coordinates","259577","2020-12-06","08:35:04",""
"7241660","29.8768","0.0016","29.8768","0.0016","74.341","0.003","90","","90","","120","","57468","5","150","0.1","150","0.1","","","","","","","","6","R -3 :H","-R 3","148","Pd6L12","","","- C74 H84 Au2 I2 N8 Pd -","- C74 H84 Au2 I2 N8 Pd -","- C1332 H1512 Au36 I36 N144 Pd18 -","18","1","","Zeng, Lihua; Sun, Shujian; Wei, Zhang-Wen; Xin, Yu; Liu, Liping; Zhang, Jianyong","Confinement of a Au‒N-heterocyclic carbene in a Pd6L12 metal‒organic cage","RSC Advances","2020","10","64","39323","39327","10.1039/D0RA07509D","","x-ray","1.54184","CuKα","","0.1033","0.0888","","","0.2668","0.2821","","","","","","1.059","","","","has coordinates,has disorder","259578","2020-12-06","08:35:36",""
"7241661","11.8959","0.0004","11.5231","0.0004","10.6044","0.0004","90","","102.613","0.004","90","","1418.55","0.09","112.05","0.1","112.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Shang, Hai; Li, Ling-Yu; Tian, Yu; Jia, Hong-Mei; Zou, Zhong-Mei","A facile metal-free one-pot synthesis of 3-aminoisoquinolines by intramolecular transannulation of 1-sulfonyl-4-(2-aminomethylphenyl)-1,2,3-triazoles","RSC Advances","2020","10","64","39067","39071","10.1039/D0RA06563C","","x-ray","0.71073","MoKα","","0.0494","0.0399","","","0.0934","0.1001","","","","","","1.047","","","","has coordinates","259579","2020-12-06","08:35:58",""
"7241662","17.2172","0.0004","10.339","0.0003","22.6719","0.0005","90","","101.889","0.002","90","","3949.22","0.17","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C192 H208 O4 P8 -","4","1","","Ganushevich, Yulia; Zagidullin, Almaz; Kondrashova, Svetlana; Latypov, Shamil; Miluykov, Vasili; Lönnecke, Peter; Hey-Hawkins, Evamarie","Asymmetric 1,3-dipolar cycloaddition reaction of chiral 1-alkyl-1,2-diphospholes with diphenyldiazomethane","RSC Advances","2020","10","64","39060","39066","10.1039/D0RA08080B","","","0.71073","MoKα","","0.0745","0.0524","","","0.1224","0.1356","","","","","","1.006","","","","has coordinates,has disorder","259580","2020-12-06","08:36:20",""
"7241663","28.349","0.011","9.848","0.003","19.498","0.007","90","","124.168","0.005","90","","4504","3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O12 -","- C21 H21 N3 O12 -","- C168 H168 N24 O96 -","8","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0781","0.0502","","","0.119","0.1301","","","","","","1.009","","","","has coordinates","259581","2020-12-06","08:37:36",""
"7241664","13.202","0.007","13.202","0.007","6.454","0.004","90","","90","","120","","974.2","0.9","93","2","93","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C3.67 H4.17 N0.5 O1.17 -","- C3.6667 H4.1668 N0.5 O1.1667 -","- C44.0004 H50.0016 N6 O14.0004 -","12","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0564","0.0502","","","0.1146","0.1171","","","","","","1.013","","","","has coordinates,has disorder","259581","2020-12-06","08:37:36",""
"7241665","11.271","0.0011","11.3037","0.0002","12.5205","0.0008","73.166","0.014","87.132","0.018","65.188","0.016","1381.2","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Cl2 N3 O6 -","- C28 H35 Cl2 N3 O6 -","- C56 H70 Cl4 N6 O12 -","2","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0553","0.053","","","0.1671","0.1694","","","","","","1.097","","","","has coordinates","259581","2020-12-06","08:37:37",""
"7241666","17.963","0.002","7.3777","0.0008","20.201","0.002","90","","105.543","0.003","90","","2579.2","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N3 O6 -","- C27 H33 N3 O6 -","- C108 H132 N12 O24 -","4","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0573","0.0375","","","0.0752","0.0782","","","","","","1.002","","","","has coordinates","259581","2020-12-06","08:37:37",""
"7241667","19.0132","0.001","3.943","0.0002","23.6198","0.0012","90","","108.101","0.002","90","","1683.12","0.15","130","2","130","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","1,3,5-Triethynylbenzene","","- C12 H6 -","- C12 H6 -","- C96 H48 -","8","1","","Abdi, Gisya; Filip, Anna; Krajewski, Michał; Kazimierczuk, Krzysztof; Strawski, Marcin; Szarek, Paweł; Hamankiewicz, Bartosz; Mazej, Zoran; Cichowicz, Grzegorz; Leszczyński, Piotr J.; Fijałkowski, Karol J.; Szczurek, Andrzej","Toward the synthesis, fluorination and application of N‒graphyne","RSC Advances","2020","10","66","40019","40029","10.1039/D0RA08143D","","","0.71073","MoKα","","0.0479","0.0335","","","0.0815","0.0901","","","","","","1.039","","","","has coordinates","259582","2020-12-06","08:38:28",""
"7241668","10.768","0.004","11.89","0.004","16.12","0.006","104.401","0.005","98.576","0.006","108.158","0.005","1841","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Ru(II)","C30 H28 N8 Ru2(F6P)","","- C30 H28 F12 N8 O0 P2 Ru -","- C30 H28 F12 N8 P2 Ru -","- C60 H56 F24 N16 P4 Ru2 -","2","1","","Muddassir, Mohd.","Blue light-induced low mechanical stability of ruthenium-based coordination bonds: an AFM-based single-molecule force spectroscopy study","RSC Advances","2020","10","66","40543","40551","10.1039/D0RA07274E","","","0.71073","MoKα","","0.1834","0.1384","","","0.3396","0.3835","","","","","","1.234","","","","has coordinates","259583","2020-12-06","08:38:52",""
"7241669","10.005","0.004","12.857","0.005","22.495","0.009","98.332","0.005","97.908","0.005","104.389","0.006","2727.4","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C97.12 H32.31 N2 O0.59 -","- C97.124 H32.31 N2 O0.593 -","- C194.248 H64.62 N4 O1.186 -","2","1","","Hashikawa, Yoshifumi; Kizaki, Kazuro; Hirose, Takashi; Murata, Yasujiro","An orifice design: water insertion into C60","RSC Advances","2020","10","66","40406","40410","10.1039/D0RA09067K","","","0.71073","MoKα","","0.072","0.0532","","","0.1399","0.1554","","","","","","1.028","","","","has coordinates,has disorder","259584","2020-12-06","08:39:21",""
"7241670","9.591","0.0002","9.316","0.0002","15.982","0.0003","90","","97.514","0.001","90","","1415.73","0.05","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N7 -","- C14 H13 N7 -","- C56 H52 N28 -","4","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.096","0.0497","","0.1565","0.1254","","","","1.034","1.105","1.105","","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241671","16.876","0.0003","8.689","0.0001","19.621","0.0004","90","","90","","90","","2877.14","0.08","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H16 N5 -","- C16 H16 N5 -","- C128 H128 N40 -","8","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.089","0.0578","","0.1778","0.1471","","","","1.112","1.129","1.129","","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241672","16.8629","0.0017","7.7228","0.0007","14.8431","0.0014","90","","104.655","0.003","90","","1870.1","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.0422","0.0352","","","0.0844","0.0901","","","","","","1.04","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241673","8.1377","0.0005","9.0021","0.0006","9.7827","0.0007","106.504","0.002","94.684","0.002","93.115","0.002","682.57","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N8 O10 -","- C20 H18 Cl2 Cu N8 O10 -","- C20 H18 Cl2 Cu N8 O10 -","1","0.5","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.0449","0.0419","","","0.1054","0.1079","","","","","","1.081","","","","has coordinates","259585","2020-12-06","08:40:08",""
"7241674","7.2577","0.0003","17.3639","0.0008","13.362","0.0006","90","","95.789","0.002","90","","1675.32","0.13","136","2","136","2","","","","","","","plant Crepis sancta, family Asteraceae, collected Southern Jordan","3","P 1 21 1","P 2yb","4","chrysosplentin","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","2","","Ebada, Sherif S.; Al-Jawabri, Nariman A.; Youssef, Fadia S.; El-Kashef, Dina H.; Knedel, Tim-Oliver; Albohy, Amgad; Korinek, Michal; Hwang, Tsong-Long; Chen, Bing-Hung; Lin, Guan-Hua; Lin, Chia-Yi; Aldalaien, Sa'ed M.; Disi, Ahmad M.; Janiak, Christoph; Proksch, Peter","Anti-inflammatory, antiallergic and COVID-19 protease inhibitory activities of phytochemicals from the Jordanian hawksbeard: identification, structure‒activity relationships, molecular modeling and impact on its folk medicinal uses","RSC Advances","2020","10","62","38128","38141","10.1039/D0RA04876C","","","0.71073","MoKα","","0.0693","0.0475","","","0.0987","0.1112","","","","","","1.043","","","","has coordinates","259586","2020-12-06","08:40:38",""
"7241675","9.2977","0.0007","18.1902","0.001","23.3996","0.0017","90","","100.702","0.007","90","","3888.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C192 H168 Cl8 N16 O8 -","8","2","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.1212","0.0897","","","0.2275","0.2553","","","","","","1.052","","","","has coordinates","259587","2020-12-06","08:41:45",""
"7241676","7.011","0.0001","9.8156","0.0001","17.0473","0.0002","90","","90","","90","","1173.15","0.02","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C44 H56 Cl4 N4 O8 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0693","0.0678","","","0.199","0.2025","","","","","","1.101","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241677","7.7267","0.0002","13.0423","0.0003","36.875","0.0009","90","","90","","90","","3716.04","0.16","140","1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O4 S -","- C21 H16 Cl N O4 S -","- C168 H128 Cl8 N8 O32 S8 -","8","2","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0726","0.0649","","","0.1724","0.1832","","","","","","1.056","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241678","5.14553","0.00005","8.93108","0.00011","40.8075","0.0005","90","","90","","90","","1875.31","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O4 -","- C23 H17 Cl N2 O4 -","- C92 H68 Cl4 N8 O16 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0844","0.0845","","","","","","1.041","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241679","6.8571","0.0001","18.2247","0.0002","9.2749","0.0001","90","","109.383","0.002","90","","1093.38","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl N O4 -","- C11 H10 Cl N O4 -","- C44 H40 Cl4 N4 O16 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0442","0.0414","","","0.1144","0.1164","","","","","","1.0242","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241680","11.7838","0.0001","7.8328","0.0001","23.338","0.0002","90","","103.889","0.001","90","","2091.12","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0888","0.0836","","","0.2264","0.2318","","","","","","1.0517","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241681","9.3493","0.0002","6.9787","0.0001","9.155","0.0002","90","","90","","90","","597.33","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","methyl ammonium methyl carbamate","methyl ammonium methyl carbamate","","- C3 H10 N2 O2 -","- C3 H10 N2 O2 -","- C12 H40 N8 O8 -","4","1","","Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi","Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines","RSC Advances","2020","10","62","38055","38062","10.1039/D0RA07814J","","","0.71073","","","0.0243","0.0243","","","0.0588","0.0589","","","","","","1.19","","","","has coordinates","259588","2020-12-06","08:42:38",""
"7241682","7.4527","0.0002","18.3181","0.0004","11.3999","0.0002","90","","90.869","0.001","90","","1556.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitrobenzylidene methanamine","3-nitrobenzylidene methanamine","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","2","","Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi","Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines","RSC Advances","2020","10","62","38055","38062","10.1039/D0RA07814J","","","0.71073","","","0.0518","0.0379","","","0.0979","0.1055","","","","","","1.014","","","","has coordinates","259588","2020-12-06","08:42:39",""
"7241683","12.3238","0.0012","21.6586","0.0019","9.7902","0.0011","90","","111.208","0.003","90","","2436.2","0.4","300","2","300","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H16 Cu N4 O5 -","- C22 H16 Cu N4 O5 -","- C88 H64 Cu4 N16 O20 -","4","1","","Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong","Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands","RSC Advances","2020","10","68","41921","41925","10.1039/D0RA09305J","","","0.71073","MoKα","","0.0749","0.0685","","","0.2026","0.2099","","","","","","1.035","","","","has coordinates","259589","2020-12-06","08:43:24",""
"7241684","34.01","0.002","9.0351","0.0005","38.6788","0.0018","90","","115.365","0.004","90","","10739.6","1.1","202","2","202","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C41 H28 Cd N7 O9 -","- C41 H28 Cd N7 O9 -","- C328 H224 Cd8 N56 O72 -","8","1","","Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong","Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands","RSC Advances","2020","10","68","41921","41925","10.1039/D0RA09305J","","","0.71073","MoKα","","0.0748","0.0656","","","0.1688","0.173","","","","","","1.101","","","","has coordinates","259589","2020-12-06","08:43:24",""
"7241685","16.418","0.002","6.5616","0.0009","17.993","0.002","90","","94.892","0.002","90","","1931.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C88 H120 N8 O8 -","8","2","","Zhang, Yuewei; Bao, Qingqing; Zhang, Ning; Wang, Shuohang; Yu, Xue","Stereocontrolled addition of Grignard reagents to oxa-bridged benzazepines: highly efficient synthesis of functionalized benzazepine scaffolds","RSC Advances","2020","10","68","41802","41806","10.1039/D0RA08758K","","","0.71073","MoKα","","0.1178","0.0505","","","0.1074","0.1383","","","","","","0.964","","","","has coordinates","259590","2020-12-06","08:43:49",""
"7241686","26.47","0.05","10.667","0.019","17.28","0.03","90","","125.389","0.018","90","","3978","12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Ga2 N6 O20 -","- C40 H28 Ga2 N6 O20 -","- C160 H112 Ga8 N24 O80 -","4","0.5","","Wu, Junbiao; Lou, Luqi; Han, Yide; Xu, Yan; Zhang, Xia; Wang, Zhuopeng","Ionothermal synthesis of a photochromic inorganic‒organic complex for colorimetric and portable UV index indication and UVB detection","RSC Advances","2020","10","68","41720","41726","10.1039/D0RA08300C","","","0.71073","MoKα","","0.1349","0.089","","","0.2226","0.2599","","","","","","1.085","","","","has coordinates","259591","2020-12-06","08:44:09",""
"7241687","12.834","0.009","18.991","0.01","8.136","0.006","90","","113.36","0.03","90","","1820","2","293","2","293","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71076","MoKα","","0.1106","0.0786","","","0.1879","0.2075","","","","","","1.05","","","","has coordinates","259592","2020-12-06","08:45:00",""
"7241688","22.059","0.002","22.2927","0.0012","7.6696","0.0003","90","","90","","90","","3771.6","0.4","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","","","- C26 H24 -","- C26 H24 -","- C208 H192 -","8","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0473","0.0386","","","0.0952","0.1011","","","","","","1.04","","","","has coordinates","259592","2020-12-06","08:45:01",""
"7241689","17.1088","0.0007","17.778","0.0008","20.6046","0.0009","69.756","0.002","79.617","0.002","62.673","0.002","5222","0.4","296","2","200","","","","","","","","","5","P -1","-P 1","2","","","","- C125 H116 Cl4 Dy2 K2 -","- C125 H116 Cl4 Dy2 K2 -","- C250 H232 Cl8 Dy4 K4 -","2","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0633","0.0391","","","0.0839","0.0946","","","","","","1.019","","","","has coordinates","259592","2020-12-06","08:45:01",""
"7241690","15.0406","0.0005","18.9527","0.0006","21.4668","0.0008","65.202","0.001","78.557","0.002","67.699","0.001","5134","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C249 H224 Cl8 Dy4 K4 -","- C249 H224 Cl8 Dy4 K4 -","- C249 H224 Cl8 Dy4 K4 -","1","0.5","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0386","0.028","","","0.0667","0.0763","","","","","","1.072","","","","has coordinates,has disorder","259592","2020-12-06","08:45:01",""
"7241691","13.2192","0.0007","10.713","0.0005","13.2447","0.0007","90","","112.909","0.002","90","","1727.73","0.15","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0475","0.0333","","","0.0558","0.0584","","","","","","1.038","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241692","13.1734","0.0007","10.6736","0.0006","13.2327","0.0007","90","","112.887","0.002","90","","1714.14","0.16","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0612","0.0373","","","0.053","0.057","","","","","","1.005","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241693","9.9847","0.0008","13.2497","0.001","14.3535","0.0011","81.6299","0.0012","73.8538","0.001","83.2186","0.0011","1798.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N9 O18 Sm2 -","- C30 H27 N9 O18 Sm2 -","- C60 H54 N18 O36 Sm4 -","2","1","","Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.","Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties","RSC Advances","2020","10","65","39771","39778","10.1039/D0RA07159E","","","0.71073","MoKα","","0.027","0.0234","","","0.0608","0.0628","","","","","","1.024","","","","has coordinates","259594","2020-12-06","08:46:01",""
"7241694","9.9419","0.0006","13.1775","0.0008","14.3215","0.0009","81.79","0.0009","74.0669","0.0009","83.0217","0.001","1778.99","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N9 O18 Tb2 -","- C30 H27 N9 O18 Tb2 -","- C60 H54 N18 O36 Tb4 -","2","1","","Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.","Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties","RSC Advances","2020","10","65","39771","39778","10.1039/D0RA07159E","","","0.71073","MoKα","","0.0286","0.026","","","0.0693","0.0708","","","","","","1.046","","","","has coordinates","259594","2020-12-06","08:46:01",""
"7241695","10.6437","0.0004","14.3165","0.001","16.2402","0.0011","96.269","0.006","104.683","0.005","96.637","0.005","2353","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H66 Mo N3 O4 -","- C49 H66 Mo N3 O4 -","- C98 H132 Mo2 N6 O8 -","2","1","","Nasibipour, Mina; Safaei, Elham; Wojtczak, Andrzej; Jagličić, Zvonko; Galindo, Agustín; Masoumpour, Marzieh Sadat","A biradical oxo-molybdenum complex containing semiquinone and o-aminophenol benzoxazole-based ligands","RSC Advances","2020","10","67","40853","40866","10.1039/D0RA06351G","","","0.71073","MoKα","","0.1407","0.0887","","","0.2086","0.2612","","","","","","1.039","","","","has coordinates,has disorder","259595","2020-12-06","08:46:41",""
"7241696","9.3905","0.0004","14.9547","0.0006","17.6271","0.0006","109.496","0.003","94.616","0.003","99.025","0.003","2281.02","0.16","180","","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Br2 Cu2 N11 O15.5 -","- C38 H40 Br2 Cu2 N11 O15.5 -","- C76 H80 Br4 Cu4 N22 O31 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Anson, Christopher E.; Powell, Annie K.","A multifunctional use of bis(methylene)bis(5-bromo-2-hydroxyl salicyloylhydrazone): from metal sensing to ambient catalysis of A3 coupling reactions","RSC Advances","2020","10","67","40739","40744","10.1039/D0RA07687B","","x-ray","1.34143","GaKα","","0.0662","0.0426","","","0.1056","0.115","","","","","","1.039","","","","has coordinates,has disorder","259596","2020-12-06","08:47:01",""
"7241697","10.094","0.005","11.277","0.005","11.815","0.005","99.224","0.008","106.772","0.007","111.122","0.007","1147.4","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 O2 S2 -","- C22 H26 N4 O2 S2 -","- C44 H52 N8 O4 S4 -","2","1","","Liu, Hong-Yan; Chen, Yu; Hao, Li-Qiang; Wang, Guo-Dong; Li, Hong-Shuang; Xia, Cheng-Cai","The synthesis of N,N′-disulfanediyl-bis(N′-((E)-benzylidene)acetohydrazide) from (E)-N′-benzylideneacetohydrazide and S8","RSC Advances","2020","10","67","41041","41046","10.1039/D0RA08441G","","","0.71073","MoKα","","0.0592","0.0475","","","0.1304","0.1429","","","","","","1.022","","","","has coordinates","259597","2020-12-06","08:47:20",""
"7241698","10.598","0.005","13.049","0.005","14.218","0.005","90","0.005","93.964","0.005","90","0.005","1961.6","1.4","150","0.1","150","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","tipyzdime","Pz2Ti2","","- C31 H64 N4 O7 Ti2 -","- C31 H64 N4 O7 Ti2 -","- C62 H128 N8 O14 Ti4 -","2","1","","Wang, Tzu-Fang; Kosuru, Someswara Rao; Yu, Shu-Chun; Chang, Yung-Chi; Lai, Hsin-Yu; Chang, Yu-Lun; Wu, Kuo-Hui; Ding, Shangwu; Chen, Hsuan-Ying","Use of pyrazoles as ligands greatly enhances the catalytic activity of titanium iso-propoxide for the ring-opening polymerization of l-lactide: a cooperation effect","RSC Advances","2020","10","67","40690","40696","10.1039/D0RA07824G","","","0.71073","MoKα","","0.0634","0.0481","","","0.1014","0.1093","","","","","","1.032","","","","has coordinates,has disorder","259598","2020-12-06","08:47:40",""
"7241699","16.2484","0.0001","11.3597","0.0001","8.2456","0.0001","90","","100.148","0.001","90","","1498.14","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Na O6 S -","- C13 H11 Na O6 S -","- C52 H44 Na4 O24 S4 -","4","1","","Zhang, Hui; Wang, Ming; Jiang, Xuefeng","Sustainable access to sulfonic acids from halides and thiourea dioxide with air","Green Chemistry","2020","22","23","8238","8242","10.1039/D0GC03135F","","x-ray","1.54184","CuKα","","0.0733","0.0725","","","0.1605","0.1609","","","","","","1.166","","","","has coordinates,has disorder","260798","2021-01-07","06:41:50",""
"7241700","16.8614","0.0016","19.0598","0.0014","8.8881","0.0006","90","","103.357","0.008","90","","2779.1","0.4","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Cl2 N2 O5 -","- C32 H30 Cl2 N2 O5 -","- C128 H120 Cl8 N8 O20 -","4","0.5","","Zhang, Ming-Zhong; Liu, Long; Gou, Quan; Wang, Qi; Li, Yi; Li, Wan-Ting; Luo, Fei; Yuan, Min; Chen, Tieqiao; He, Wei-Min","Synthesis of hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones through oxone-mediated cascade arylhydroxylation of activated alkenes","Green Chemistry","2020","22","23","8369","8374","10.1039/D0GC02205E","","x-ray","0.71073","MoKα","","0.116","0.0873","","","0.2041","0.2387","","","","","","1.015","","","","has coordinates","260799","2021-01-07","06:41:56",""
"7241704","6.27149","0.0001","13.8374","0.0003","14.1502","0.0002","90","","90","","90","","1227.97","0.04","170","2","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-2-Isopropyl-1-tosylaziridine","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","","Scholten, Kevin; Engelage, Elric; Merten, Christian","Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions.","Physical chemistry chemical physics : PCCP","2020","22","48","27979","27986","10.1039/d0cp05420h","","x-ray","1.54184","CuKα","","0.0325","0.0315","","","0.0833","0.084","","","","","","1.073","","","","has coordinates","260827","2021-01-07","07:12:42",""
"7241705","8.7562","0.0006","13.1732","0.001","12.6457","0.0007","90","","95.04","0.006","90","","1453.01","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O2 -","- C26 H26 Cl2 Fe N10 O2 -","- C52 H52 Cl4 Fe2 N20 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.1193","0.0657","","","0.1443","0.1551","","","","","","0.845","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241706","14.9231","0.0014","8.4115","0.0007","18.7857","0.0016","90","","108.571","0.009","90","","2235.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Fe I2 N8 O2 -","- C16 H16 Fe I2 N8 O2 -","- C64 H64 Fe4 I8 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0533","0.0442","","","0.1115","0.1189","","","","","","1.036","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241707","8.8231","0.0004","11.0729","0.0003","13.2703","0.0007","90","","106.027","0.005","90","","1246.08","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Fe I2 N8 O2 -","- C18 H20 Fe I2 N8 O2 -","- C36 H40 Fe2 I4 N16 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.047","0.0301","","","0.0637","0.0661","","","","","","0.872","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241708","8.3887","0.0004","9.639","0.0005","13.2734","0.0007","90","","99.11","0.005","90","","1059.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Fe I2 N8 -","- C16 H12 Fe I2 N8 -","- C32 H24 Fe2 I4 N16 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0513","0.0392","","","0.0909","0.1001","","","","","","1.063","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241709","8.1771","0.0009","11.2544","0.0012","12.1692","0.0015","91.426","0.009","108.865","0.01","90.318","0.009","1059.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","1","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0674","0.0433","","","0.0742","0.0821","","","","","","1.02","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241710","14.7058","0.0015","8.3867","0.0006","18.3571","0.0018","90","","108.439","0.011","90","","2147.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br2 Fe N8 O2 -","- C16 H16 Br2 Fe N8 O2 -","- C64 H64 Br8 Fe4 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0405","0.0309","","","0.0723","0.0767","","","","","","1.075","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241711","19.931","0.002","12.6943","0.0014","30.341","0.003","90","","93.819","0.008","90","","7659.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Br8 Fe3 N26 -","- C58 H43 Br8 Fe3 N26 -","- C232 H172 Br32 Fe12 N104 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.2114","0.1075","","","0.2808","0.3679","","","","","","1.018","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241736","7.8699","0.0002","36.0925","0.0007","11.3684","0.0003","90","","92.524","0.002","90","","3226","0.13","123","2","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Aminoazobenzene; 3-Amino-4-methylpyridine","","- C36 H38 N10 -","- C36 H38 N10 -","- C144 H152 N40 -","4","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0548","0.0467","","","0.1196","0.1258","","","","","","1.021","","","","has coordinates,has disorder","259731","2020-12-10","03:35:48",""
"7241737","7.5794","0.0004","5.6975","0.0003","21.4258","0.0009","90","","97.914","0.004","90","","916.43","0.08","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;4,4'-Bipyridine","","- C22 H19 N5 -","- C22 H19 N5 -","- C44 H38 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0537","0.0514","","","0.1487","0.1516","","","","","","1.054","","","","has coordinates","259731","2020-12-10","03:35:49",""
"7241738","7.73","0.0006","5.6677","0.0004","23.0411","0.0014","90","","91.233","0.006","90","","1009.23","0.12","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;1,2-bis(4-pyridyl)ethane","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.1033","0.0715","","","0.1964","0.2223","","","","","","1.041","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241739","7.9177","0.0016","5.9154","0.0012","19.843","0.004","90","","90.84","0.03","90","","929.3","0.3","113","2","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene; 4-Pyrrolidinopyridine","","- C21 H23 N5 -","- C21 H23 N5 -","- C42 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.0647","0.0471","","","0.1059","0.116","","","","","","0.974","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241740","25.715","0.005","5.9027","0.0012","31.344","0.006","90","","107.76","0.03","90","","4530.9","1.7","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-aminoazobenzene; 1-(1-naphthyl)-2-(4'-pyridyl)ethylene","","- C29 H24 N4 -","- C29 H23 N4 -","- C232 H184 N32 -","8","2","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.122","0.0776","","","0.1948","0.2262","","","","","","1.055","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241742","9.7369","0.0003","9.7369","0.0003","76.074","0.002","90","","90","","90","","7212.4","0.4","220","1","220","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","0.25","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.0743","0.0619","","","0.1144","0.1199","","","","","","1.178","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241743","9.6448","0.0009","76.132","0.0012","9.7076","0.001","90","","90.2","","90","","7128","1","185","1","185.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd0.999 Cl I3.996 S32 -","- C184 H148 Cd3.996 Cl4 I15.984 S128 -","4","0.5","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1493","0.1263","","","0.3201","0.3429","","","","","","1.119","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241744","9.5531","0.0008","9.7052","0.0008","76.0688","0.001","89.884","0.004","89.917","0.004","89.798","0.007","7052.6","0.8","100","1","100","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1281","0.1021","","","0.2609","0.2897","","","","","","1.026","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241745","13.1254","0.0006","13.6595","0.0006","8.5225","0.0004","90","","90","","90","","1527.97","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cd N2 O2 S4 -","- C8 H12 Cd N2 O2 S4 -","- C32 H48 Cd4 N8 O8 S16 -","4","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0331","0.0326","","","0.0757","0.0759","","","","","","1.244","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241746","9.7864","0.0005","10.9611","0.0006","16.022","0.0008","90","","102.095","0.002","90","","1680.52","0.15","152","2","152","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cd N6 O S2 -","- C10 H22 Cd N6 O S2 -","- C40 H88 Cd4 N24 O4 S8 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0209","0.0196","","","0.0452","0.0458","","","","","","1.035","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241747","14.6814","0.0003","17.4409","0.0004","17.6486","0.0004","90","","90","","90","","4519.04","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Cd3 N18 S6 -","- C28 H52 Cd3 N18 S6 -","- C112 H208 Cd12 N72 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0347","0.0313","","","0.0711","0.0729","","","","","","1.064","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241752","26.891","0.0015","16.3784","0.0009","20.2907","0.0012","90","","130.136","0.003","90","","6832.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Mn3 N6 O31 -","- C54 H58 Mn3 N4 O24 -","- C216 H232 Mn12 N16 O96 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.0973","0.0494","","","0.1007","0.1163","","","","","","1.016","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241753","13.706","0.003","10.943","0.002","23.695","0.005","90","","106.11","0.03","90","","3414.3","1.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H57 Mn3 N6 O22 -","- C78 H48.988 Mn3 N6 O18 -","- C156 H97.976 Mn6 N12 O36 -","2","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71","synchrotron","","0.0482","0.0443","","","0.108","0.1108","","","","","","1.032","","","","has coordinates,has disorder","259738","2020-12-10","03:41:12",""
"7241754","10.2097","0.0009","10.7615","0.001","13.8645","0.0013","81.129","0.002","79.737","0.002","64.205","0.002","1344.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","1","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1997","0.0762","","","0.0971","0.1243","","","","","","0.983","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241755","11.4113","0.0014","13.9536","0.0016","14.723","0.0018","105.212","0.003","92.722","0.004","107.323","0.003","2139.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 Mn N6 O18 -","- C39 H31 Mn N6 O10 -","- C78 H62 Mn2 N12 O20 -","2","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1555","0.0658","","","0.1336","0.1613","","","","","","0.976","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241756","12.916","0.002","8.9128","0.0013","27.161","0.004","90","","98.425","0.004","90","","3093","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Mn2 N3 O12 -","- C31 H25 Mn2 N3 O12 -","- C124 H100 Mn8 N12 O48 -","4","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1151","0.0611","","","0.1508","0.1778","","","","","","1.028","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241757","28.4052","0.0019","16.0847","0.0012","19.9257","0.0012","90","","133.158","0.003","90","","6641","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H62 Mn3 N6 O23 -","- C66 H42 Mn3 N4 O18 -","- C264 H168 Mn12 N16 O72 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1478","0.0569","","","0.1093","0.1349","","","","","","0.967","","","","has coordinates","259738","2020-12-10","03:41:13",""
"7241764","8.759","0.0004","9.44","0.0004","23.545","0.0008","90","","90","","90","","1946.82","0.14","296","2","296.15","","","","","","","","","6","P b c m","-P 2c 2b","57","","ethylenediammonium lead iodide chloride","","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","1","0.125","","Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe","Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure","CrystEngComm","2020","22","46","8063","8071","10.1039/D0CE00184H","","","0.71075","MoKα","","0.1083","0.0676","","","0.1527","0.1745","","","","","","1.063","","","","has coordinates","259740","2020-12-10","03:43:41",""
"7241787","9.9455","0.0003","8.2022","0.0003","15.9136","0.0006","90","","93.461","0.002","90","","1295.78","0.08","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N5 O6 -","- C26 H33 N5 O6 -","- C52 H66 N10 O12 -","2","1","","Posada, Laura; Davyt, Danilo; Serra, Gloria","First total synthesis of versicotide A, B and C","RSC Advances","2020","10","71","43653","43659","10.1039/D0RA09635K","","","1.54178","CuKα","","0.0522","0.0442","","","0.1125","0.121","","","","","","1.059","","","","has coordinates","259808","2020-12-11","05:23:32",""
"7241788","12.2177","0.0002","16.0747","0.0002","25.66","0.0003","90","","98.643","0.001","90","","4982.29","0.12","169.98","0.11","169.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H57 Cl2 Co N3 O4 -","- C56 H57 Cl2 Co N3 O4 -","- C224 H228 Cl8 Co4 N12 O16 -","4","1","","Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua","Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl","RSC Advances","2020","10","71","43400","43411","10.1039/D0RA09333E","","x-ray","1.54184","CuKα","","0.0661","0.0513","","","0.1302","0.1419","","","","","","1.025","","","","has coordinates","259809","2020-12-11","05:24:08",""
"7241789","12.3277","0.0003","15.5549","0.0004","26.352","0.0007","90","","98.564","0.002","90","","4996.8","0.2","169.99","0.13","169.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H55 Cl2 Co N3 O4 -","- C55 H55 Cl2 Co N3 O4 -","- C220 H220 Cl8 Co4 N12 O16 -","4","1","","Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua","Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl","RSC Advances","2020","10","71","43400","43411","10.1039/D0RA09333E","","x-ray","1.54184","CuKα","","0.0688","0.0528","","","0.156","0.1733","","","","","","1.2723","","","","has coordinates","259809","2020-12-11","05:24:09",""
"7241790","14.6617","0.0018","19.303","0.003","7.5546","0.0009","90","","104.276","0.003","90","","2072","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Co N4 O5 -","- C21 H26 Co N4 O5 -","- C84 H104 Co4 N16 O20 -","4","1","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro","Zero-field slow relaxation of magnetization in cobalt(ii) single-ion magnets: suppression of quantum tunneling of magnetization by tailoring the intermolecular magnetic coupling","RSC Advances","2020","10","71","43472","43479","10.1039/D0RA08286D","","","0.71073","MoKα","","0.1542","0.0651","","","0.1296","0.1515","","","","","","0.911","","","","has coordinates","259810","2020-12-11","05:24:36",""
"7241888","7.6012","0.0004","7.6086","0.0005","9.9648","0.0004","111.477","0.005","92.248","0.004","92.294","0.005","534.96","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0217","0.0196","","","0.0426","0.0436","","","","","","1.074","","","","has coordinates","260010","2020-12-19","06:01:51",""
"7241889","12.9111","0.0004","12.1129","0.0004","6.7647","0.0002","90","","90","","90","","1057.94","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C32 H24 Au4 Cl12 N8 -","4","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.02","0.0172","","","0.0343","0.0353","","","","","","1.058","","","","has coordinates","260010","2020-12-19","06:01:51",""
"7241890","4.0553","0.0001","11.2233","0.0002","11.6686","0.0003","90","","93.193","0.002","90","","530.26","0.02","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0207","0.0196","","","0.0458","0.0465","","","","","","1.08","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241891","7.5601","0.0002","22.2124","0.0005","13.5335","0.0003","90","","103.107","0.003","90","","2213.45","0.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C64 H48 Au8 Cl24 N16 -","8","2","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0205","0.0197","","","0.0429","0.0435","","","","","","1.04","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241892","7.8424","0.0004","8.1614","0.0004","9.7794","0.0005","113.353","0.005","95.989","0.004","104.639","0.004","541.06","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0203","0.0181","","","0.0388","0.0397","","","","","","1.117","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241893","21.7453","0.0006","10.7363","0.0002","25.254","0.0007","90","","106.562","0.003","90","","5651.3","0.3","110.1","0.3","110.1","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C264 H264 O72 -","12","6","","Yu, Xuan; Lan, Wenjie; Li, Jiaqi; Bai, Hui; Qin, Zhaohai; Fu, Bin","Enantioselective one-pot synthesis of 4H-chromene derivatives catalyzed by a chiral Ni(ii) complex","RSC Advances","2020","10","72","44437","44441","10.1039/D0RA08906K","","x-ray","1.54184","CuKα","","0.0649","0.0615","","","0.1652","0.1688","","","","","","1.06","","","","has coordinates","260011","2020-12-19","06:02:21",""
"7241894","10.9462","0.0009","13.6297","0.0011","19.4386","0.0016","90","","90","","90","","2900.1","0.4","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,5-pentanediamine-Isophthalate","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C104 H176 N16 O40 -","8","1","","Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie","Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine‒isophthalate","RSC Advances","2020","10","73","44774","44784","10.1039/D0RA08767J","","","0.71073","MoKα","","0.0708","0.0397","","","0.0944","0.1104","","","","","","1.025","","","","has coordinates","260012","2020-12-19","06:02:54",""
"7241895","13.4758","0.0012","11.6629","0.0011","18.8817","0.0016","90","","103.974","0.004","90","","2879.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-diaminopentane-Isophthalate","1,5-pentanediamine-Isophthalate","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C104 H160 N16 O32 -","8","2","","Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie","Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine‒isophthalate","RSC Advances","2020","10","73","44774","44784","10.1039/D0RA08767J","","","0.71073","MoKα","","0.1237","0.0646","","","0.1173","0.1324","","","","","","1.03","","","","has coordinates","260012","2020-12-19","06:02:54",""
"7241896","13.2356","0.0008","7.1744","0.0004","25.3234","0.0016","90","","90","","90","","2404.6","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","","Pham, Quyen T.; Le, Phong Q.; Dang, Ha V.; Ha, Hiep Q.; Nguyen, Huong T. D.; Truong, Thanh; Le, Tri Minh","Iodine-mediated formal [3 + 2] annulation for synthesis of furocoumarin from oxime esters","RSC Advances","2020","10","72","44332","44338","10.1039/D0RA07566C","","","0.71073","MoKα","","0.0962","0.0519","","","0.1","0.1165","","","","","","1.0693","","","","has coordinates","260013","2020-12-19","06:03:21",""
"7241897","12.9006","0.0004","11.7117","0.0004","23.7556","0.0008","90","","105.593","0.001","90","","3457.1","0.2","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 O9 Os3 P2 -","- C33 H24 O9 Os3 P2 -","- C132 H96 O36 Os12 P8 -","4","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0245","0.0186","","","0.036","0.0376","","","","","","1.046","","","","has coordinates","260015","2020-12-19","06:04:25",""
"7241898","12.403","0.005","13.586","0.007","14.093","0.006","63.446","0.014","81.056","0.013","68.94","0.02","1982.3","1.6","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 O9 Os3 P2 -","- C33 H22 O9 Os3 P2 -","- C66 H44 O18 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0226","0.0212","","","0.0567","0.0573","","","","","","1.085","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241899","10.8434","0.0008","11.453","0.0009","16.7944","0.0012","70.658","0.003","87.463","0.003","76.322","0.003","1910.8","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 O12 Os3 P2 -","- C36 H25 O12 Os3 P2 -","- C72 H50 O24 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0362","0.0347","","","0.1112","0.1128","","","","","","1.051","","","","has coordinates,has disorder","260015","2020-12-19","06:04:26",""
"7241900","10.642","0.007","12.082","0.009","16.209","0.013","76.185","0.019","71.21","0.03","73.02","0.02","1863","2","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 O9 Os3 P2 -","- C33 H23 O9 Os3 P2 -","- C66 H46 O18 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0888","0.0504","","","0.0909","0.1013","","","","","","1.035","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241901","10.9749","0.0008","12.9394","0.001","14.3221","0.0011","74.898","0.004","89.703","0.003","72.437","0.003","1866.1","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 O11 Os3 P2 -","- C36 H28 O11 Os3 P2 -","- C72 H56 O22 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0221","0.0176","","","0.0363","0.0377","","","","","","1.04","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241928","3.7996","0.0007","8.2477","0.0013","14.205","0.004","90","","90","","90","","445.16","0.17","275.2","","275.2","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C5 H12 -","- C5 H12 -","- C20 H48 -","4","0.5","","Liu, X.; Pulham, C. R.","Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane","CrystEngComm","2020","22","47","8251","8255","10.1039/D0CE01335H","","","0.71073","MoKα","","0.0575","0.0437","","","0.1178","0.127","","","","","","1.19","","","","has coordinates","260032","2020-12-20","02:21:22",""
"7241929","8.492","0.006","13.445","0.006","13.518","0.006","83.69","0.009","86.778","0.009","85.131","0.006","1526.8","1.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Ag N4 O12 -","- C32 H29 Ag N4 O12 -","- C64 H58 Ag2 N8 O24 -","2","1","","Ma, Jianxin; Wang, Yue; Liu, Guocheng; Xu, Na; Wang, Xiuli","A pH-stable Ag(i) multifunctional luminescent sensor for the efficient detection of organic solvents, organochlorine pesticides and heavy metal ions","RSC Advances","2020","10","73","44712","44718","10.1039/D0RA08991E","","x-ray","0.71073","MoKα","K-L~3~","0.1548","0.0842","","","0.2376","0.2803","","","","","","0.981","","","","has coordinates,has disorder","260039","2020-12-20","05:02:06",""
"7241934","6.8671","0.0006","9.1774","0.0014","14.373","0.003","108.299","0.017","91.374","0.012","94.052","0.01","856.8","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C40 H32 N8 O4 -","2","1","","Sahu, Meman; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam Kumar","A novel dihydro phenylquinazolinone-based two-in-one colourimetric chemosensor for nickel(ii), copper(ii) and its copper complex for the fluorescent colourimetric nanomolar detection of the cyanide anion","RSC Advances","2020","10","73","44860","44875","10.1039/D0RA09023A","","","0.71073","MoKα","","0.0718","0.0469","","","0.0911","0.1047","","","","","","1.0492","","","","has coordinates","260112","2020-12-23","05:26:50",""
"7241935","12.756","0.0009","14.7694","0.0011","15.2714","0.0012","97.98","0.002","111.813","0.002","107.16","0.002","2450.1","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H70 O10 -","- C55 H70 O10 -","- C110 H140 O20 -","2","1","","Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju","Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene","RSC Advances","2020","10","73","45112","45115","10.1039/D0RA09307F","","","0.71073","MoKα","","0.0916","0.0527","","","0.1112","0.1326","","","","","","1.044","","","","has coordinates","260113","2020-12-23","05:27:27",""
"7241936","22.214","0.004","20.8","0.004","25.875","0.005","90","","100.33","0.03","90","","11762","4","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C118 H147 Cl8 O20 -","- C118 H147 Cl8 O20 -","- C472 H588 Cl32 O80 -","4","1","","Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju","Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene","RSC Advances","2020","10","73","45112","45115","10.1039/D0RA09307F","","","0.71073","MoKα","","0.1781","0.1578","","","0.4057","0.4279","","","","","","1.139","","","","has coordinates,has disorder","260113","2020-12-23","05:27:27",""
"7241937","9.8","0.0004","12.7411","0.0005","16.7622","0.0006","90","","100.024","0.0013","90","","2061.03","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Br N O4 -","- C16 H38 Br N O4 -","- C64 H152 Br4 N4 O16 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0325","0.0244","","","0.0538","0.0571","","","","","","1.026","","","","has coordinates","260114","2020-12-23","05:28:57",""
"7241938","9.4093","0.0011","19.713","0.002","16.8064","0.0019","90","","103.68","0.004","90","","3028.9","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl N O3 P2 -","- C36 H30 Cl N O3 P2 -","- C144 H120 Cl4 N4 O12 P8 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0604","0.0486","","","0.1078","0.113","","","","","","1.109","","","","has coordinates","260114","2020-12-23","05:29:07",""
"7241939","9.4724","0.0004","19.7442","0.0009","16.8171","0.0007","90","","103.818","0.0013","90","","3054.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Br N O3 P2 -","- C36 H30 Br N O3 P2 -","- C144 H120 Br4 N4 O12 P8 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0393","0.0307","","","0.0663","0.0701","","","","","","1.049","","","","has coordinates","260114","2020-12-23","05:29:07",""
"7241940","12.0476","0.0016","24.535","0.003","14.501","0.002","90","","114.01","0.002","90","","3915.4","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl N O3 -","- C16 H36 Cl N O3 -","- C128 H288 Cl8 N8 O24 -","8","2","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0602","0.0447","","","0.1113","0.121","","","","","","1.025","","","","has coordinates,has disorder","260114","2020-12-23","05:29:07",""
"7241941","8.9127","0.0004","9.861","0.0005","17.5409","0.0009","104.4","0.2","96.3","0.2","97.5","0.2","1464.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","'[Co(hfacac)4(BisPyBz)2]'","","- C28 H18 Co F12 N2 O4 -","- C28 H18 Co F12 N2 O4 -","- C56 H36 Co2 F24 N4 O8 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","powder diffraction","","0.61978","Synchrotron","","","","","","","","","0.032","8.158","","","","","","","has coordinates","260115","2020-12-23","05:30:15",""
"7241942","8.9","0.002","9.894","0.0013","17.511","0.0017","104.699","0.01","96.02","0.02","97.45","0.03","1463.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Zn(hfacac)4(BisPyBz)2]","","- C28 H18 F12 N2 O4 Zn -","- C28 H18 F12 N2 O4 Zn -","- C56 H36 F24 N4 O8 Zn2 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72932","synchrotron","","0.0348","0.0331","","","0.0838","0.085","","","","","","1.063","","","","has coordinates,has disorder","260115","2020-12-23","05:30:16",""
"7241943","8.93","0.007","9.88","0.005","17.57","0.009","104.57","0.06","96.38","0.03","97.45","0.08","1470.9","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[CoZn(hfacac)4(BisPyBz)2]","","- C28 H18 Co0.47 F12 N2 O4 Zn0.53 -","- C28 H18 Co0.466 F12 N2 O4 Zn0.534 -","- C56 H36 Co0.932 F24 N4 O8 Zn1.068 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72929","synchrotron","","0.0357","0.0348","","","0.0964","0.0971","","","","","","1.065","","","","has coordinates,has disorder","260115","2020-12-23","05:30:16",""
"7241944","8.7704","0.00007","9.1599","0.00006","10.043","0.00011","62.972","0.0006","71.41","0.0007","80.889","0.0006","681.112","0.011","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Co(hfacac)4(BisPyBz)2]","","- C14 H9 Co0.5 F6 N O2 -","- C14 H9 Co0.5 F6 N O2 -","- C28 H18 Co F12 N2 O4 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72931","synchrotron","","0.0289","0.0288","","","0.079","0.0794","","","","","","1.096","","","","has coordinates","260115","2020-12-23","05:30:16",""
"7241997","10.4292","0.0002","15.3858","0.0003","26.9006","0.0004","90","","90","","90","","4316.51","0.13","133.15","","133.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H38 Mg2 N2 O21 Pt S4 -","- C13 H38 Mg2 N2 O21 Pt S4 -","- C52 H152 Mg8 N8 O84 Pt4 S16 -","4","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0313","0.0272","","","0.0656","0.0673","","","","","","1.15","","","","has coordinates,has disorder","260336","2021-01-01","04:05:15",""
"7241998","6.2643","0.0003","13.6027","0.0007","14.2439","0.0006","117.142","0.003","92.957","0.004","99.353","0.004","1054.74","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0333","0.0274","","","0.0666","0.0701","","","","","","1.044","","","","has coordinates","260336","2021-01-01","04:05:15",""
"7241999","6.7533","0.0003","7.4688","0.0004","11.335","0.0005","103.51","0.004","97.371","0.004","103.462","0.004","530.45","0.05","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0445","","","","","","1.104","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242000","25.8063","0.0006","10.7668","0.0002","23.2567","0.0005","90","","90.72","0.002","90","","6461.4","0.2","133.15","","133.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H26 Mn2 N2 O17 Pt S4 -","- C10 H26 Mn2 N2 O17 Pt S4 -","- C80 H208 Mn16 N16 O136 Pt8 S32 -","8","1","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.031","0.0291","","","0.0716","0.0726","","","","","","1.03","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242001","6.8663","0.0006","7.9281","0.0007","11.5395","0.001","94.147","0.007","101.197","0.007","114.893","0.007","550.53","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0849","0.0597","","","0.1477","0.1799","","","","","","1.188","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242002","6.319","0.0002","13.7134","0.0004","16.9778","0.0006","90","","97.989","0.003","90","","1456.93","0.08","133.15","","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H36 Fe2 N2 O22 Pt S4 -","- C10 H36 Fe2 N2 O22 Pt S4 -","- C20 H72 Fe4 N4 O44 Pt2 S8 -","2","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0382","0.0294","","","0.0587","0.0616","","","","","","1.184","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242003","6.2781","0.0004","13.6869","0.0011","14.2519","0.001","117.626","0.005","92.748","0.006","100.521","0.006","1054.34","0.15","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0508","0.0405","","","0.0983","0.107","","","","","","1.059","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242004","10.5366","0.0004","10.7815","0.0004","12.2029","0.0005","97.258","0.001","98.196","0.001","117.932","0.001","1182.32","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Sm -","- C25 H18 N4 O8 Sm -","- C50 H36 N8 O16 Sm2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0455","0.0332","","","0.0714","0.0752","","","","","","1.059","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242005","10.4665","0.0004","10.692","0.0004","12.2202","0.0005","96.974","0.001","98.572","0.001","117.604","0.001","1169.68","0.08","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","1","0.5","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0405","0.0358","","","0.085","0.0876","","","","","","1.038","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242006","10.4833","0.0004","10.712","0.0004","12.2096","0.0005","97.082","0.001","98.465","0.001","117.663","0.001","1172.06","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Tb -","- C25 H18 N4 O8 Tb -","- C50 H36 N8 O16 Tb2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0292","0.0255","","","0.0643","0.066","","","","","","1.054","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242007","10.5279","0.0008","10.7664","0.0008","12.2112","0.0016","97.308","0.002","98.164","0.001","117.842","0.001","1181.5","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Eu N4 O8 -","- C25 H18 Eu N4 O8 -","- C50 H36 Eu2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0332","0.0301","","","0.0817","0.0902","","","","","","1.086","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242008","10.502","0.0004","10.7425","0.0004","12.2129","0.0005","97.093","0.001","98.38","0.001","117.775","0.001","1176.88","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Gd N4 O8 -","- C25 H18 Gd N4 O8 -","- C50 H36 Gd2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0315","0.0293","","","0.0785","0.0801","","","","","","1.112","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242015","13.864","0.011","12.086","0.011","14.994","0.012","90","","111.62","0.02","90","","2336","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","0.5","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.054","0.0494","","","0.132","0.1371","","","","","","1.084","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242016","7.075","0.003","19.857","0.002","12.811","0.002","90","","94.991","0.002","90","","1793","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0435","0.0355","","","0.0927","0.0995","","","","","","1.04","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242017","6.855","0.004","7.642","0.003","24.281","0.004","90.019","0.003","92.555","0.002","107.022","0.004","1214.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C52 H56 N8 O12 -","2","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0388","0.0339","","","0.091","0.0947","","","","","","1.047","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7700720","8.8147","0.0004","9.6066","0.0005","16.3384","0.0011","88.426","0.004","83.914","0.004","85.607","0.004","1371.42","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C48 N6 O21 P6 Zr -","- C48 N6 O21 P6 Zr -","- C48 N6 O21 P6 Zr -","1","0.5","","Taddei, Marco; Shearan, Stephen J. I.; Donnadio, Anna; Casciola, Mario; Vivani, Riccardo; Costantino, Ferdinando","Investigating the effect of positional isomerism on the assembly of zirconium phosphonates based on tritopic linkers.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3662","3666","10.1039/c9dt02463h","powder diffraction","x-ray","1.5406","Kα","","","","","","","","0.0596","","2.91","","","","","","","has coordinates","250324","2020-10-21","18:00:00",""
"7700866","16.2418","0.0004","16.2418","0.0004","12.9864","0.0006","90","","90","","90","","3425.8","0.2","292.79","0.1","292.79","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- Ba2.67 Cl6 O8 Pb8 Sr0.33 -","- Ba2.66667 Cl6 O8 Pb8 Sr0.333333 -","- Ba16 Cl36 O48 Pb48 Sr2 -","6","0.375","","Li, Zhuang; Zhang, Shengzi; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Ba<sub>8</sub>SrPb<sub>24</sub>O<sub>24</sub>Cl<sub>18</sub>: the first alkali-earth metal lead(ii) oxyhalide with an intriguing multimember-ring layer.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3667","3671","10.1039/c9dt02839k","","x-ray","0.71073","MoKα","","0.0401","0.0354","","","0.0866","0.0894","","","","","","1.053","","","","has coordinates","250318","2020-10-21","18:00:00",""
"7701257","15.132","0.0008","15.574","0.0008","16.932","0.0008","75.653","0.004","82.818","0.004","61.305","0.005","3391","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H81 Cu2 N5 O9 S4 -","- C66 H71 Cu2 N5 O5 S4 -","- C132 H142 Cu4 N10 O10 S8 -","2","1","","Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3715","3722","10.1039/c9dt03060c","","","0.71073","MoKα","","0.1492","0.1123","","","0.2348","0.2464","","","","","","1.138","","","","has coordinates,has disorder","250317","2020-10-21","18:00:00",""
"7701258","10.9843","0.0007","16.0778","0.0011","19.4622","0.001","108.212","0.005","91.375","0.004","99.797","0.005","3206.3","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H68 Br3 Cu3 N4 O4 S4 -","- C64 H68 Br3 Cu3 N4 O4 S4 -","- C128 H136 Br6 Cu6 N8 O8 S8 -","2","1","","Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3715","3722","10.1039/c9dt03060c","","","0.71073","MoKα","","0.0908","0.0533","","","0.1106","0.1255","","","","","","0.979","","","","has coordinates","250317","2020-10-21","18:00:00",""
"7701259","15.282","0.0008","15.561","0.0008","15.889","0.0009","105.876","0.005","111.146","0.005","90.496","0.004","3365.3","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H71 Cu I N4 O5.5 S4 -","- C64 H68 Cu I N4 O4 S4 -","- C128 H136 Cu2 I2 N8 O8 S8 -","2","1","","Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3715","3722","10.1039/c9dt03060c","","","0.71073","MoKα","","0.087","0.0514","","","0.1177","0.1333","","","","","","1.062","","","","has coordinates,has disorder","250317","2020-10-21","18:00:00",""
"7701355","10.602","0.003","11.265","0.003","25.144","0.005","81.695","0.006","84.894","0.006","88.797","0.011","2959.6","1.3","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H76 B2 F4 N10 O2 P2 Pt -","- C58 H76 B2 F4 N10 O2 P2 Pt -","- C116 H152 B4 F8 N20 O4 P4 Pt2 -","2","1","","Dhindsa, Jasveer S.; Melenbacher, Adyn; Barbon, Stephanie M.; Stillman, Martin J.; Gilroy, Joe B.","Altering the optoelectronic properties of boron difluoride formazanate dyes <i>via</i> conjugation with platinum(II)-acetylides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16133","16142","10.1039/c9dt03417j","","","0.71073","MoKα","","0.0411","0.029","","","0.0568","0.0594","","","","","","1.034","","","","has coordinates","260791","2021-01-07","06:31:32",""
"7701373","22.1079","0.0013","22.1079","0.0013","13.2561","0.0015","90","","90","","120","","5611","0.8","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ce9 I36 K3 O108 -","- Ce9 I36 K3 O108 -","- Ce18 I72 K6 O216 -","2","0.111111","","Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3672","3675","10.1039/c9dt03628h","","","0.71073","MoKα","","0.0483","0.0476","","","0.1211","0.1217","","","","","","1.099","","","","has coordinates","250316","2020-10-21","18:00:00",""
"7701374","21.9793","0.0011","21.9793","0.0011","13.0846","0.0012","90","","90","","120","","5474.2","0.6","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ce9 I36 La0.3 O108 -","- Ce9 I36 La0.3 O108 -","- Ce18 I72 La0.6 O216 -","2","0.111111","","Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3672","3675","10.1039/c9dt03628h","","","0.71073","MoKα","","0.032","0.03","","","0.0749","0.0757","","","","","","1.047","","","","has coordinates","250316","2020-10-21","18:00:00",""
"7701445","14.67","0.004","7.1244","0.0016","10.897","0.003","90","","100.897","0.006","90","","1118.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Na O11 Si2 Sr5 -","- B Na O11 Si2 Sr5 -","- B4 Na4 O44 Si8 Sr20 -","4","1","","Tang, Ruling; Hu, Chunli; Feng, Jianghe; Fang, Zhi; Chen, Yan; Kong, Fang; Mao, Jianggao","Sr<sub>5</sub>TeO<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> and NaSr<sub>5</sub>(BO<sub>3</sub>)(SiO<sub>4</sub>)<sub>2</sub>: two inorganic metal borate derivatives with diverse zero dimensional anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3743","3749","10.1039/c9dt03839f","","","0.71073","MoKα","","0.0444","0.0374","","","0.0618","0.0641","","","","","","1.16","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7701446","7.6005","0.0003","7.6005","0.0003","10.4006","0.001","90","","90","","90","","600.82","0.07","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- B4 O14 Sr5 Te -","- B4 O14 Sr5 Te -","- B8 O28 Sr10 Te2 -","2","0.125","","Tang, Ruling; Hu, Chunli; Feng, Jianghe; Fang, Zhi; Chen, Yan; Kong, Fang; Mao, Jianggao","Sr<sub>5</sub>TeO<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> and NaSr<sub>5</sub>(BO<sub>3</sub>)(SiO<sub>4</sub>)<sub>2</sub>: two inorganic metal borate derivatives with diverse zero dimensional anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3743","3749","10.1039/c9dt03839f","","","0.71073","MoKα","","0.0387","0.0309","","","0.0747","0.081","","","","","","1.108","","","","has coordinates","250319","2020-10-21","18:00:00",""
"7701453","14.5034","0.0008","16.592","0.0009","23.044","0.0013","71.648","0.004","84.13","0.004","75.454","0.004","5093","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H166 Cd8 Ge16 N24 O123 V24 -","- C104 H80 Cd8 Ge16 N24 O123 V24 -","- C104 H80 Cd8 Ge16 N24 O123 V24 -","1","0.5","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.0751","0.0623","","","0.1545","0.1669","","","","","","1.038","","","","has coordinates","250321","2020-10-21","18:00:00",""
"7701454","17.193","0.003","23.511","0.005","26.373","0.005","90","","100.15","0.03","90","","10494","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Cd4.5 Ge8 N13 O59 V12 -","- C36 H48 Cd4.5 Ge8 N13 O59 V12 -","- C144 H192 Cd18 Ge32 N52 O236 V48 -","4","0.5","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.1486","0.0849","","","0.2298","0.2727","","","","","","1.068","","","","has coordinates","250321","2020-10-21","18:00:00",""
"7701455","17.9913","0.0003","23.6117","0.0004","23.9327","0.0004","90","","91.729","0.0013","90","","10162.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H107 Cd6 Ge6 N24 O53.5 V15 -","- C24 H92 Cd6 Ge6 N24 O53.5 V15 -","- C96 H368 Cd24 Ge24 N96 O214 V60 -","4","1","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.1127","0.0803","","","0.2224","0.253","","","","","","1.016","","","","has coordinates","250321","2020-10-21","18:00:00",""
"7701851","8.7174","0.0006","14.5181","0.0011","10.5302","0.0009","90","","101.859","0.007","90","","1304.26","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H13 B7 N2 O12 -","- C3 H13 B7 N2 O12 -","- C12 H52 B28 N8 O48 -","4","1","","Chen, Chong-An; Pan, Rui; Yang, Guo-Yu","Syntheses and structures of a new 2D layered borate and a novel 3D porous-layered aluminoborate.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3750","3757","10.1039/c9dt03846a","","","0.71073","MoKα","","0.0798","0.0545","","","0.1244","0.1408","","","","","","1.022","","","","has coordinates","250315","2020-10-21","18:00:00",""
"7701852","6.9842","0.0003","10.232","0.0004","20.678","0.001","76.392","0.004","86.7","0.004","82.594","0.003","1423.67","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C H4 Al2 B15 K3.52 Na3.48 O33 -","- C H4 Al2 B15 K3.52 Na3.48 O33 -","- C2 H8 Al4 B30 K7.04 Na6.96 O66 -","2","1","","Chen, Chong-An; Pan, Rui; Yang, Guo-Yu","Syntheses and structures of a new 2D layered borate and a novel 3D porous-layered aluminoborate.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3750","3757","10.1039/c9dt03846a","","","0.71073","MoKα","","0.0755","0.0589","","","0.1569","0.1689","","","","","","1.027","","","","has coordinates,has disorder","250315","2020-10-21","18:00:00",""
"7701871","8.9323","0.0004","8.9323","0.0004","13.2617","0.0007","90","","90","","120","","916.34","0.08","193","2","193","2","","","","","","","","8","P 63","P 6c","173","","","","- C9 H20 Cl Fe N3 O10 P3 Zn2 -","- C9 H19.9998 Cl Fe N3 O10 P3 Zn2 -","- C18 H39.9996 Cl2 Fe2 N6 O20 P6 Zn4 -","2","0.333333","","Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min","Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3758","3765","10.1039/c9dt03858b","","","0.71073","MoKα","","0.03","0.0284","","","0.0679","0.0688","","","","","","1.008","","","","has coordinates","250323","2020-10-21","18:00:00",""
"7701872","20.3105","0.0015","7.729","0.0006","11.2903","0.0009","90","","90","","90","","1772.3","0.2","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C9 H25 Co N3 O12 P3 Zn -","- C9 H25 Co N3 O12 P3 Zn -","- C36 H100 Co4 N12 O48 P12 Zn4 -","4","1","","Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min","Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3758","3765","10.1039/c9dt03858b","","","1.34138","GaKα","","0.0675","0.0531","","","0.135","0.1489","","","","","","1.007","","","","has coordinates","250323","2020-10-21","18:00:00",""
"7701884","27.848","0.002","11.667","0.003","19.101","0.003","90","","100.373","0.005","90","","6104.5","1.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 N2 O18 Re2 -","- C28 H19 N2 O18 Re2 -","- C224 H152 N16 O144 Re16 -","8","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71069","MoKα","","0.0268","0.022","","","0.0565","0.0592","","","","","","1.043","","","","has coordinates","247703","2020-10-21","18:00:00",""
"7701885","8.6218","0.0012","11.812","0.0017","14.112","0.002","75.594","0.005","77.006","0.005","82.534","0.005","1352.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H19 Cl2 N O4 P Re -","- C30 H19 Cl2 N O4 P Re -","- C60 H38 Cl4 N2 O8 P2 Re2 -","2","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71073","MoKα","","0.0282","0.0224","","","0.0475","0.0496","","","","","","1.079","","","","has coordinates","247703","2020-10-21","18:00:00",""
"7701886","11.144","0.002","14.985","0.003","16.723","0.003","66.491","0.003","72.612","0.006","75.94","0.006","2419.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 O4 P2 Re -","- C59 H51 O4 P2 Re -","- C118 H102 O8 P4 Re2 -","2","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71069","MoKα","","0.0301","0.0254","","","0.0568","0.0591","","","","","","1.101","","","","has coordinates,has disorder","247703","2020-10-21","18:00:00",""
"7701887","24.97","0.002","9.701","0.001","22.139","0.002","90","","93.355","0.005","90","","5353.6","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 N O4 P Re -","- C30 H21 N O4 P Re -","- C240 H168 N8 O32 P8 Re8 -","8","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71069","MoKα","","0.0241","0.0208","","","0.0591","0.0622","","","","","","1.105","","","","has coordinates","247703","2020-10-21","18:00:00",""
"7701888","7.5475","0.0001","18.8361","0.0002","14.6355","0.0002","90","","101.684","0.0005","90","","2037.55","0.04","200","","200","","","","","","","","?","8","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 B Cl2 Mo N4 O2 S2 -","- C14 H19 B Cl2 Mo N4 O2 S2 -","- C56 H76 B4 Cl8 Mo4 N16 O8 S8 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0334","","","","0.0368","","","","","","0.9712","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701889","14.288","0.01","7.823","0.01","15.337","0.01","90","","101.241","0.01","90","","1681","3","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H17 B N6 O2 W -","- C14 H17 B N6 O2 W -","- C56 H68 B4 N24 O8 W4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","0.0331","0.028","","","0.0686","0.0719","","","","","","1.044","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701890","15.393","0.003","8.752","0.0018","15.767","0.003","90","","91.46","0.03","90","","2123.4","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 B Mo N4 O2 P -","- C19 H24 B Mo N4 O2 P -","- C76 H96 B4 Mo4 N16 O8 P4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","0.0359","0.0265","","","0.0631","0.0672","","","","","","1.024","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701891","7.5455","0.0001","18.7786","0.0004","14.5838","0.0003","90","","101.486","0.0008","90","","2025.05","0.07","200","","200","","","","","","","","?","8","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 B Cl2 N4 O2 S2 W -","- C14 H19 B Cl2 N4 O2 S2 W -","- C56 H76 B4 Cl8 N16 O8 S8 W4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0299","","","","0.0339","","","","","","1.0663","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701892","10.234","0.0001","14.69","0.0002","18.1384","0.0002","90","","100.384","0.0006","90","","2682.22","0.05","200","","200","","","","","","","","?","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 B Mo N4 O2 P -","- C29 H28 B Mo N4 O2 P -","- C116 H112 B4 Mo4 N16 O8 P4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0213","","","","0.0236","","","","","","1.0861","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701961","9.874","0.0004","13.5904","0.0005","14.8719","0.0006","62.868","0.004","73.368","0.003","78.772","0.003","1696.94","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Cu N2 O2 -","- C36 H52 Cu N2 O2 -","- C72 H104 Cu2 N4 O4 -","2","2","","Sampani, Stavroula I.; Zdorichenko, Victor; Danopoulou, Marianna; Leech, Matthew C.; Lam, Kevin; Abdul-Sada, Alaa; Cox, Brian; Tizzard, Graham J.; Coles, Simon J.; Tsipis, Athanassios; Kostakis, George E.","Shedding light on the use of Cu(ii)-salen complexes in the A<sup>3</sup> coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","289","299","10.1039/c9dt04146j","","x-ray","0.71075","MoKα","K-L~3~","0.1108","0.0655","","","0.1097","0.1276","","","","","","1.014","","","","has coordinates","247731","2020-10-21","18:00:00",""
"7701962","9.8853","0.0002","13.5954","0.0003","14.878","0.0002","62.868","0.002","73.374","0.002","78.798","0.002","1700.32","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Cu N2 O2 -","- C36 H52 Cu N2 O2 -","- C72 H104 Cu2 N4 O4 -","2","2","","Sampani, Stavroula I.; Zdorichenko, Victor; Danopoulou, Marianna; Leech, Matthew C.; Lam, Kevin; Abdul-Sada, Alaa; Cox, Brian; Tizzard, Graham J.; Coles, Simon J.; Tsipis, Athanassios; Kostakis, George E.","Shedding light on the use of Cu(ii)-salen complexes in the A<sup>3</sup> coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","289","299","10.1039/c9dt04146j","","x-ray","1.54184","CuKα","","0.0687","0.0645","","","0.1669","0.1711","","","","","","1.008","","","","has coordinates","247731","2020-10-21","18:00:00",""
"7701963","7.5222","0.0006","9.2463","0.0007","16.0762","0.0012","75.104","0.002","89.593","0.002","79.724","0.002","1062.35","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl2 Hg N4 O -","- C22 H16 Cl2 Hg N4 O -","- C44 H32 Cl4 Hg2 N8 O2 -","2","1","","Gharami, Saswati; Aich, Krishnendu; Ghosh, Paramita; Patra, Lakshman; Murmu, Nabendu; Mondal, Tapan K.","A fluorescent ""ON-OFF-ON"" switch for the selective and sequential detection of Hg<sup>2+</sup> and I<sup>-</sup> with applications in imaging using human AGS gastric cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","187","195","10.1039/c9dt04245h","","","0.71073","MoKα","","0.02","0.0179","","","0.0428","0.044","","","","","","1.012","","","","has coordinates","247698","2020-10-21","18:00:00",""
"7701979","29.6331","0.0016","17.9626","0.0009","12.3339","0.0007","90","","90","","90","","6565.2","0.6","286","2","286.23","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H50 N7 O40 P W11 Zn -","- C34 H50 N7 O40 P W11 Zn -","- C136 H200 N28 O160 P4 W44 Zn4 -","4","0.5","","Li, Li; Zou, Yong-Cun; Hua, Yang; Li, Xiao-Nan; Wang, Zhi-Hui; Zhang, Hong","Polyoxometalate-viologen photochromic hybrids for rapid solar ultraviolet light detection, photoluminescence-based UV probing and inkless and erasable printing.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","89","94","10.1039/c9dt04116h","","","0.71073","MoKα","","0.092","0.0474","","","0.0985","0.1189","","","","","","1.023","","","","has coordinates,has disorder","247700","2020-10-21","18:00:00",""
"7701980","20.271","0.0013","20.3406","0.0013","20.3665","0.0013","93.793","0.001","98.118","0.001","96.535","0.001","8230.5","0.9","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C219 H230 Mn9 N64 O22 W6 -","- C219 H230 Mn9 N64 O22 W6 -","- C219 H230 Mn9 N64 O22 W6 -","1","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Konieczny, Piotr; Baran, Stanisław; Kubicki, Maciej; Korzeniak, Tomasz; Podgajny, Robert","Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","300","311","10.1039/c9dt03903a","","","0.71073","MoKα","","0.0844","0.0501","","","0.1242","0.1433","","","","","","1.019","","","","has coordinates,has disorder","247728","2020-10-21","18:00:00",""
"7701981","16.0808","0.001","20.4138","0.001","20.5125","0.0013","82.386","0.005","74.694","0.005","86.907","0.004","6436.3","0.7","100","1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C222 H280 Mn9 N64 O14 W6 -","- C222 H280 Mn9 N64 O14 W6 -","- C222 H280 Mn9 N64 O14 W6 -","1","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Konieczny, Piotr; Baran, Stanisław; Kubicki, Maciej; Korzeniak, Tomasz; Podgajny, Robert","Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","300","311","10.1039/c9dt03903a","","","0.71073","MoKα","","0.1187","0.0667","","","0.1166","0.1318","","","","","","1.09","","","","has coordinates","247728","2020-10-21","18:00:00",""
"7701982","24.8236","0.0009","25.1491","0.0008","25.8948","0.0009","89.004","0.001","83.01","0.001","87.211","0.001","16025.7","1","117","2","117","","","","","","","","","6","P -1","-P 1","2","","","","- C277 H159 Mn9 N64 O43 W6 -","- C277 H159 Mn9 N64 O43 W6 -","- C554 H318 Mn18 N128 O86 W12 -","2","1","","Kobylarczyk, Jedrzej; Liberka, Michal; Konieczny, Piotr; Baran, Stanisław; Kubicki, Maciej; Korzeniak, Tomasz; Podgajny, Robert","Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","300","311","10.1039/c9dt03903a","","","0.71073","MoKα","","0.0943","0.0553","","","0.1234","0.1397","","","","","","1.014","","","","has coordinates,has disorder","247728","2020-10-21","18:00:00",""
"7701989","12.784","0.0005","18.6105","0.0008","16.2525","0.0006","90","","103.625","0.002","90","","3757.9","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 N2 Ni P Si -","- C41 H49 N2 Ni P Si -","- C164 H196 N8 Ni4 P4 Si4 -","4","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.0463","0.0327","","","0.0796","0.0869","","","","","","1.021","","","","has coordinates","247733","2020-10-21","18:00:00",""
"7701990","9.9701","0.0002","14.6823","0.0003","12.4003","0.0003","90","","108.994","0.001","90","","1716.37","0.07","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Br N Ni O P -","- C40 H41 Br N Ni O P -","- C80 H82 Br2 N2 Ni2 O2 P2 -","2","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.0269","0.0236","","","0.0549","0.056","","","","","","1.01","","","","has coordinates","247733","2020-10-21","18:00:00",""
"7701991","11.604","0.006","12.092","0.007","18.006","0.01","82.74","0.03","75.53","0.02","64.7","0.03","2211","2","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H126 N2 Na2 Ni2 O8 P2 -","- C84 H126 N2 Na2 Ni2 O8 P2 -","- C84 H126 N2 Na2 Ni2 O8 P2 -","1","0.5","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.1043","0.0512","","","0.1307","0.1564","","","","","","0.979","","","","has coordinates,has disorder","247733","2020-10-21","18:00:00",""
"7701992","10.8549","0.0005","12.204","0.0006","18.5076","0.0009","96.275","0.002","94.927","0.002","94.771","0.002","2417.4","0.2","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C43 H52 Cl2 F3 N2 Ni O3 P S Si -","- C43 H52 Cl2 F3 N2 Ni O3 P S Si -","- C86 H104 Cl4 F6 N4 Ni2 O6 P2 S2 Si2 -","2","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.0591","0.0426","","","0.1171","0.1268","","","","","","1.057","","","","has coordinates,has disorder","247733","2020-10-21","18:00:00",""
"7701993","12.8081","0.0015","22.863","0.003","14.9029","0.0018","90","","98.384","0.003","90","","4317.4","0.9","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 N O2 P Pd Si2 -","- C42 H60 N O2 P Pd Si2 -","- C168 H240 N4 O8 P4 Pd4 Si8 -","4","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.1306","0.0951","","","0.249","0.2801","","","","","","1.086","","","","has coordinates","247733","2020-10-21","18:00:00",""
"7701999","8.1837","0.0008","9.2427","0.001","30.229","0.003","90","","90","","90","","2286.5","0.4","237","80","237","80","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2.419 H1.86 Br0.186 N0.186 O0.186 -","- C2.4186 H1.86047 Br0.186047 N0.186047 O0.186047 -","- C104 H80 Br8 N8 O8 -","43","5.375","","Yadav, Deepika; Awasthi, Satish Kumar","An unsymmetrical covalent organic polymer for catalytic amide synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","179","186","10.1039/c9dt03931g","","x-ray","0.71073","MoKα","","0.0817","0.0505","","","0.1324","0.1584","","","","","","0.8854","","","","has coordinates","247696","2020-10-21","18:00:00",""
"7702000","12.5248","0.0005","15.1903","0.0006","17.3439","0.0005","96.529","0.003","108.041","0.002","106.308","0.003","2937.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 B3 F15 N9 Sc -","- C59 H54 B3 F15 N9 Sc -","- C118 H108 B6 F30 N18 Sc2 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","1.54178","CuKα","","0.0418","0.0385","","","0.1062","0.1098","","","","","","1.025","","","","has coordinates,has disorder","247704","2020-10-21","18:00:00",""
"7702001","12.6144","0.0004","13.6594","0.0005","21.945","0.0008","90","","99.015","0.002","90","","3734.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 B2 N9 O Sc Si -","- C37 H44 B2 N9 O Sc Si -","- C148 H176 B8 N36 O4 Sc4 Si4 -","4","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","0.71073","MoKα","","0.0641","0.0434","","","0.1004","0.1119","","","","","","1.021","","","","has coordinates","247704","2020-10-21","18:00:00",""
"7702002","17.2598","0.0009","17.7327","0.001","19.0548","0.0014","74.561","0.005","77.281","0.005","61.891","0.004","4927.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H83 B5 Cl F15 N18 Sc2 -","- C104 H83 B5 Cl F15 N18 Sc2 -","- C208 H166 B10 Cl2 F30 N36 Sc4 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","1.54178","CuKα","","0.1649","0.1175","","","0.306","0.3654","","","","","","1.059","","","","has coordinates,has disorder","247704","2020-10-21","18:00:00",""
"7702003","12.552","0.005","13.862","0.005","18.123","0.008","105.43","0.011","94.261","0.012","115.595","0.008","2675.7","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 B3 F15 N9 O Sc -","- C54 H40 B3 F15 N9 O Sc -","- C108 H80 B6 F30 N18 O2 Sc2 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","0.71073","MoKα","","0.1721","0.067","","","0.1608","0.2176","","","","","","1.007","","","","has coordinates","247704","2020-10-21","18:00:00",""
"7702264","19.23","0.03","11.675","0.016","13.206","0.018","90","","94.67","0.03","90","","2955","7","296","2","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H20 Cu6 Mo2 N15 O18 -","- C10 H20 Cu6 Mo2 N15 O18 -","- C40 H80 Cu24 Mo8 N60 O72 -","4","0.5","","Zhu, Peipei; Yang, Xiya; Li, Xiao; Sheng, Ning; Zhang, Haifeng; Zhang, Gongguo; Sha, Jingquan","Insights into the lithium diffusion process in a defect-containing porous crystalline POM@MOF anode material.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","79","88","10.1039/c9dt04163j","","","0.71073","MoKα","","0.0845","0.0485","","","0.1135","0.1362","","","","","","0.965","","","","has coordinates,has disorder","247701","2020-10-21","18:00:00",""
"7702265","24.832","0.0008","7.2057","0.0003","12.0342","0.0004","90","","108.753","0.001","90","","2038.99","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C96 H72 N24 O8 -","8","1","","Moro, Artur J.; Avó, João; Malfois, Marc; Zaccaria, Francesco; Fonseca Guerra, Célia; Caparrós, Francisco J; Rodríguez, Laura; Lima, João Carlos","Aggregation induced emission of a new naphthyridine-ethynyl-gold(i) complex as a potential tool for sensing guanosine nucleotides in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","171","178","10.1039/c9dt04162a","","x-ray","0.71073","MoKα","","0.041","0.0351","","","0.0959","0.0986","","","","","","1.081","","","","has coordinates","247702","2020-10-21","18:00:00",""
"7702266","11.224","0.0003","30.3783","0.0007","12.4349","0.0004","90","","106.902","0.003","90","","4056.7","0.2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22.5 H47 B20 N4 O7.5 S2 -","- C22.5 H47 B20 N4 O7.5 S2 -","- C90 H188 B80 N16 O30 S8 -","4","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0682","0.0452","","","0.0732","0.0801","","","","","","0.987","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702267","10.1885","0.0002","16.7541","0.0003","24.6831","0.0005","90","","90","","90","","4213.38","0.14","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H52 B20 N4 O7 S2 -","- C25 H52 B20 N4 O7 S2 -","- C100 H208 B80 N16 O28 S8 -","4","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0904","0.05","","","0.0754","0.0861","","","","","","1.015","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702268","11.0139","0.0002","22.1385","0.0003","11.3211","0.0002","90","","105.8","0.002","90","","2656.14","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl2 N4 O7 -","- C21 H30 Cl2 N4 O7 -","- C84 H120 Cl8 N16 O28 -","4","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.059","0.039","","","0.0649","0.0717","","","","","","1.021","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702269","7.131","0.0003","18.8979","0.0006","16.5178","0.0005","90","","101.482","0.003","90","","2181.41","0.13","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 B10 Cl N4 O2 S -","- C11 H23 B10 Cl N4 O2 S -","- C44 H92 B40 Cl4 N16 O8 S4 -","4","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0941","0.0518","","","0.0964","0.1101","","","","","","1.028","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702270","6.724","0.0002","19.0579","0.0005","21.7211","0.0006","90","","98.581","0.002","90","","2752.3","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 B20 N4 S2 -","- C12 H34 B20 N4 S2 -","- C48 H136 B80 N16 S8 -","4","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.1068","0.0651","","","0.1217","0.1345","","","","","","1.1","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702271","22.3591","0.0007","13.4447","0.0003","25.4062","0.0008","90","","102.651","0.003","90","","7452","0.4","130","2","130","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C14.25 H35.25 B20 Cl3.75 N4 O2 S2 -","- C14.25 H35.25 B20 Cl3.75 N4 O2 S2 -","- C114 H282 B160 Cl30 N32 O16 S16 -","8","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.1813","0.0814","","","0.1792","0.2268","","","","","","1.015","","","","has coordinates,has disorder","247705","2020-10-21","18:00:00",""
"7702272","11.9441","0.0002","11.0847","0.0002","13.608","0.0003","90","","103.622","0.002","90","","1750.98","0.06","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H41 B10 Cl N4 O7 S -","- C23 H41 B10 Cl N4 O7 S -","- C46 H82 B20 Cl2 N8 O14 S2 -","2","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0477","0.0383","","","0.0796","0.0847","","","","","","1.018","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702273","32.2382","0.0006","12.5464","0.0002","13.0872","0.0002","90","","104.795","0.002","90","","5117.92","0.16","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H27 B20 N5 S2 -","- C9 H27 B20 N5 S2 -","- C72 H216 B160 N40 S16 -","8","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0787","0.0507","","","0.1222","0.1362","","","","","","1.017","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702274","10.1778","0.0002","15.1347","0.0003","30.2402","0.0007","90.93","0.002","94.117","0.002","99.725","0.002","4577.45","0.17","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H123 Cd11 Fe12 K5 O174 Sb18 -","- C72 H40 Cd11 Fe12 K5 O174 Sb18 -","- C72 H40 Cd11 Fe12 K5 O174 Sb18 -","1","1","","Ma, Wen; Hu, Bing; Jing, Kaiqiang; Li, Zhong; Jin, Jiance; Zheng, Shoutian; Huang, Xiaoying","Proton-conducting layered structures based on transition metal oxo-clusters supported by Sb(iii) tartrate scaffolds.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3849","3855","10.1039/c9dt04333k","","","0.71073","MoKα","","0.0662","0.0522","","","0.1032","0.111","","","","","","1.082","","","","has coordinates,has disorder","250322","2020-10-21","18:00:00",""
"7702275","15.259","0.005","18.985","0.006","21.31","0.007","90","","90","","90","","6173","3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H49 Cd2 Co4 O60 Sb7 -","- C24 H12 Cd2 Co4 O60 Sb7 -","- C96 H48 Cd8 Co16 O240 Sb28 -","4","1","","Ma, Wen; Hu, Bing; Jing, Kaiqiang; Li, Zhong; Jin, Jiance; Zheng, Shoutian; Huang, Xiaoying","Proton-conducting layered structures based on transition metal oxo-clusters supported by Sb(iii) tartrate scaffolds.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3849","3855","10.1039/c9dt04333k","","","0.71073","MoKα","","0.0618","0.056","","","0.125","0.1288","","","","","","1.043","","","","has coordinates,has disorder","250322","2020-10-21","18:00:00",""
"7702276","12.9313","0.0009","13.4857","0.0009","20.2019","0.0014","83.02","0.001","78.182","0.001","75.176","0.001","3324.6","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C19 H41 K2 N3 O50 P Sm W11 -","- C19 H41 K2 N3 O50 P Sm W11 -","- C38 H82 K4 N6 O100 P2 Sm2 W22 -","2","1","","Wu, Hechen; Yan, Bing; Liang, Rongchang; Singh, Vikram; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","An organic chromophore -modified samarium-containing polyoxometalate: excitation-dependent color tunable behavior from the organic chromophores to the lanthanide ion.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","388","394","10.1039/c9dt03681d","","","0.71073","MoKα","","0.065","0.0444","","","0.1015","0.1121","","","","","","1.002","","","","has coordinates","247732","2020-10-21","18:00:00",""
"7702277","17.5657","0.0015","16.2635","0.0016","17.7642","0.0017","90","","118.227","0.012","90","","4471.4","0.9","170","0.1","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Cl2 Fe N3 -","- C42 H55 Cl2 Fe N3 -","- C168 H220 Cl8 Fe4 N12 -","4","1","","Guo, Jingjing; Zhang, Wenjuan; Oleynik, Ivan I.; Solan, Gregory A.; Oleynik, Irina V.; Liang, Tongling; Sun, Wen-Hua","Probing the effect of ortho-cycloalkyl ring size on activity and thermostability in cycloheptyl-fused N,N,N-iron ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","136","146","10.1039/c9dt04325j","","","0.71073","MoKα","","0.191","0.095","","","0.2562","0.313","","","","","","0.987","","","","has coordinates,has disorder","247697","2020-10-21","18:00:00",""
"7702278","14.004","0.002","16.1859","0.0011","18.7893","0.0014","90","","110.961","0.012","90","","3977.1","0.8","169.99","0.12","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 Cl2 Fe N3 -","- C44 H59 Cl2 Fe N3 -","- C176 H236 Cl8 Fe4 N12 -","4","1","","Guo, Jingjing; Zhang, Wenjuan; Oleynik, Ivan I.; Solan, Gregory A.; Oleynik, Irina V.; Liang, Tongling; Sun, Wen-Hua","Probing the effect of ortho-cycloalkyl ring size on activity and thermostability in cycloheptyl-fused N,N,N-iron ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","136","146","10.1039/c9dt04325j","","","1.54184","CuKα","","0.2279","0.0895","","","0.236","0.3247","","","","","","0.978","","","","has coordinates,has disorder","247697","2020-10-21","18:00:00",""
"7702280","11.171","0.0013","15.5751","0.0019","26.121","0.003","90","","102.316","0.007","90","","4440.2","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C93 H132 Mg4 N4 O8 -","- C93 H132 Mg4 N4 O8 -","- C186 H264 Mg8 N8 O16 -","2","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.1564","0.0817","","","0.1634","0.1992","","","","","","1.027","","","","has coordinates","247727","2020-10-21","18:00:00",""
"7702281","11.1387","0.0007","20.399","0.0013","17.5736","0.0011","90","","91.793","0.004","90","","3991.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H124 Mg4 N4 O14 -","- C80 H124 Mg4 N4 O14 -","- C160 H248 Mg8 N8 O28 -","2","0.5","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.1107","0.0578","","","0.1314","0.16","","","","","","1.055","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7702282","14.691","0.0013","21.9463","0.0018","22.837","0.0018","90","","90","","90","","7362.9","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H84 Br8 Mg4 N4 O14 -","- C64 H84 Br8 Mg4 N4 O14 -","- C256 H336 Br32 Mg16 N16 O56 -","4","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.0927","0.0455","","","0.0922","0.1033","","","","","","1.037","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7702283","15.6933","0.0009","15.6933","0.0009","28.4979","0.0019","90","","90","","90","","7018.5","0.7","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C64 H84 Cl8 Mg4 N4 O14 -","- C64 H83.996 Cl8 Mg4 N4 O13.999 -","- C256 H335.984 Cl32 Mg16 N16 O55.996 -","4","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.0709","0.0488","","","0.1132","0.1262","","","","","","1.027","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7702284","16.837","0.003","17.611","0.003","14.61","0.003","90","","108.39","0.002","90","","4110.9","1.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl6 Ir N7 -","- C42 H36 Cl6 Ir N7 -","- C168 H144 Cl24 Ir4 N28 -","4","1","","Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.","Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3775","3785","10.1039/c9dt03914g","","","0.71073","MoKα","","0.0338","0.0305","","","0.083","0.0879","","","","","","1.05","","","","has coordinates,has disorder","250320","2020-10-21","18:00:00",""
"7702285","15.0406","0.0011","13.7393","0.001","18.9988","0.0014","90","","105.613","0.001","90","","3781.2","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Ir N7 S2 -","- C44 H34 Ir N7 S2 -","- C176 H136 Ir4 N28 S8 -","4","1","","Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.","Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3775","3785","10.1039/c9dt03914g","","","0.71073","MoKα","","0.0246","0.0205","","","0.0459","0.0473","","","","","","1.053","","","","has coordinates","250320","2020-10-21","18:00:00",""
"7702286","9.724","0.004","12.386","0.005","15.409","0.006","83.506","0.004","86.618","0.004","67.247","0.003","1700.2","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 F4 Ir N7 -","- C40 H30 F4 Ir N7 -","- C80 H60 F8 Ir2 N14 -","2","1","","Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.","Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3775","3785","10.1039/c9dt03914g","","","0.71073","MoKα","","0.0468","0.0385","","","0.0825","0.0886","","","","","","1.054","","","","has coordinates","250320","2020-10-21","18:00:00",""
"7702904","10.4983","0.0006","30.2025","0.0016","16.589","0.0009","90","","90","","90","","5260","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H16 Cu9 N24 O27 S2 -","- C12 H16 Cu9 N24 O27 S2 -","- C48 H64 Cu36 N96 O108 S8 -","4","0.5","","Sun, Wu-Juan; Li, Lei-Lei; Liu, Xiang-Yu; Liu, Shuang; Ke, Cong-Yu; Zhang, Qun-Zheng; Zhang, Xun-Li","A 3D Cu(ii) tetrazolate coordination polymer based on pentanuclear units with a large coercive field.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","651","658","10.1039/c9dt04113c","","","0.71073","MoKα","","0.0576","0.04","","","0.0972","0.1076","","","","","","1.035","","","","has coordinates","247754","2020-10-21","18:00:00",""
"7702905","10.4668","0.0006","15.9308","0.0008","23.1526","0.0012","90","","97.831","0.002","90","","3824.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Mn N8 O8 -","- C41 H35 Mn N8 O8 -","- C164 H140 Mn4 N32 O32 -","4","1","","Wang, Kuaibing; Lv, Bo; Wang, Zikai; Wu, Hua; Xu, Jiangyan; Zhang, Qichun","Two-fold interpenetrated Mn-based metal-organic frameworks (MOFs) as battery-type electrode materials for charge storage.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","411","417","10.1039/c9dt04101j","","","0.71073","MoKα","","0.0433","0.0377","","","0.1046","0.1098","","","","","","1.033","","","","has coordinates","247729","2020-10-21","18:00:00",""
"7702906","25.618","0.008","15.931","0.005","23.064","0.007","90","","90.685","0.006","90","","9412","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H36 Mn N10 O7 -","- C51 H36 Mn N10 O7 -","- C408 H288 Mn8 N80 O56 -","8","1","","Wang, Kuaibing; Lv, Bo; Wang, Zikai; Wu, Hua; Xu, Jiangyan; Zhang, Qichun","Two-fold interpenetrated Mn-based metal-organic frameworks (MOFs) as battery-type electrode materials for charge storage.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","411","417","10.1039/c9dt04101j","","","0.71073","MoKα","","0.1249","0.0597","","","0.152","0.186","","","","","","1.024","","","","has coordinates","247729","2020-10-21","18:00:00",""
"7702921","9.8262","0.0006","20.0896","0.0013","19.7239","0.0012","90","","98.159","0.001","90","","3854.2","0.4","296","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cd N8 O14 -","- C38 H26 Cd N8 O14 -","- C152 H104 Cd4 N32 O56 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0763","0.0415","","","0.0895","0.1032","","","","","","0.993","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702922","16.0139","0.0006","11.7074","0.0004","16.6507","0.0005","90","","91.272","0.001","90","","3120.92","0.18","296","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H56 Cd2 N8 O16 -","- C64 H52 Cd2 N8 O16 -","- C128 H104 Cd4 N16 O32 -","2","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0531","0.041","","","0.0986","0.1088","","","","","","1.015","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702923","17.0348","0.0006","12.6283","0.0004","24.9682","0.0009","90","","90","","90","","5371.2","0.3","296","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H24 Cd N4 O8 -","- C29 H19 Cd N4 O8 -","- C232 H152 Cd8 N32 O64 -","8","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0541","0.0328","","","0.0826","0.0929","","","","","","1.022","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702924","10.1342","0.0004","16.9884","0.0007","18.0337","0.0007","90","","94.79","0.001","90","","3093.9","0.2","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cd N4 O9 -","- C32 H24 Cd N4 O9 -","- C128 H96 Cd4 N16 O36 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0738","0.0531","","","0.1388","0.1541","","","","","","1.022","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702925","10.3638","0.0004","15.7082","0.0005","18.7438","0.0007","90","","95.308","0.001","90","","3038.34","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cd N4 O7 -","- C33 H26 Cd N4 O7 -","- C132 H104 Cd4 N16 O28 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0468","0.0318","","","0.08","0.0876","","","","","","1.016","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702926","11.0284","0.0005","16.3787","0.0008","15.7857","0.0008","90","","93.132","0.001","90","","2847.1","0.2","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cd N4 O6 -","- C32 H30 Cd N4 O6 -","- C128 H120 Cd4 N16 O24 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0518","0.0388","","","0.1015","0.1096","","","","","","1.025","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702933","9.3696","0.0001","15.1236","0.0002","18.3093","0.0002","90","","98.796","0.001","90","","2563.95","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Cl2 O P Ru -","- C25 H39 Cl2 O P Ru -","- C100 H156 Cl8 O4 P4 Ru4 -","4","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0253","0.0216","","","0.0508","0.0528","","","","","","1.031","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702934","8.8108","0.0001","13.2483","0.0002","27.2268","0.0004","90","","90","","90","","3178.13","0.08","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H23 Cl2 O P Ru -","- C14 H23 Cl2 O P Ru -","- C112 H184 Cl16 O8 P8 Ru8 -","8","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0294","0.0262","","","0.0648","0.0673","","","","","","1.044","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702935","8.9634","0.0002","13.7539","0.0003","27.5","0.0006","90","","90","","90","","3390.25","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H25 Cl2 O P Ru -","- C15 H25 Cl2 O P Ru -","- C120 H200 Cl16 O8 P8 Ru8 -","8","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0324","0.0302","","","0.0892","0.0918","","","","","","1.118","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702936","7.2966","0.0003","7.6884","0.0003","15.4349","0.0006","85.087","0.003","81.257","0.004","62.338","0.004","757.89","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H21 Cl2 O P Ru -","- C13 H21 Cl2 O P Ru -","- C26 H42 Cl4 O2 P2 Ru2 -","2","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0517","0.0504","","","0.1375","0.1403","","","","","","1.064","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702937","9.1754","0.0005","13.2338","0.0014","14.3608","0.0014","91.0207","0.0017","91.024","0.002","91.5876","0.0016","1742.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl2 Cu N6 O8 -","- C36 H28 Cl2 Cu N6 O8 -","- C72 H56 Cl4 Cu2 N12 O16 -","2","1","","Rodrigues, Roberta R.; Lee, Joseph M.; Taylor, Natalie S.; Cheema, Hammad; Chen, Lizhu; Fortenberry, Ryan C.; Delcamp, Jared H.; Jurss, Jonah W.","Copper-based redox shuttles supported by preorganized tetradentate ligands for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","343","355","10.1039/c9dt04030g","","","0.71073","MoKα","","0.0402","0.0324","","","0.0842","0.0887","","","","","","1.038","","","","has coordinates,has disorder","247726","2020-10-21","18:00:00",""
"7702938","25.3322","0.0019","8.831","0.0007","25.293","0.003","90","","118.825","0.002","90","","4957.2","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","compound 1","","","- C29 H22 N3 O30 U5 -","- C29 H34 N3 O30 U5 -","- C116 H136 N12 O120 U20 -","4","1","","Zhang, Yugang; Chen, Lanhua; Guan, Jingwen; Wang, Xia; Wang, Shuao; Diwu, Juan","A unique uranyl framework containing uranyl pentamers as secondary building units: synthesis, structure, and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3676","3679","10.1039/c9dt03871j","","","0.71073","MoKα","","0.0373","0.0333","","","0.0803","0.0825","","","","","","1.034","","","","has coordinates","250312","2020-10-21","18:00:00",""
"7702939","9.8823","0.0013","15.971","0.002","27.569","0.003","90","","91.413","0.004","90","","4349.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 2","","","- C34 H48 N2 O17 U2 -","- C34 H45 N2 O17 U2 -","- C136 H180 N8 O68 U8 -","4","1","","Zhang, Yugang; Chen, Lanhua; Guan, Jingwen; Wang, Xia; Wang, Shuao; Diwu, Juan","A unique uranyl framework containing uranyl pentamers as secondary building units: synthesis, structure, and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3676","3679","10.1039/c9dt03871j","","","0.71073","MoKα","","0.0424","0.0371","","","0.1434","0.1473","","","","","","1.236","","","","has coordinates","250312","2020-10-21","18:00:00",""
"7702940","6.6668","0.0003","8.3328","0.0003","12.2584","0.0005","90","","95.937","0.001","90","","677.34","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 O8 P2 Tb -","- C9 H13 O8 P2 Tb -","- C18 H26 O16 P4 Tb2 -","2","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.0503","0.0438","","","0.1058","0.1129","","","","","","1.149","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702941","12.2586","0.0006","8.3554","0.0004","13.4007","0.0006","90","","96.336","0.001","90","","1364.19","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Eu O8 P2 -","- C9 H15 Eu O8 P2 -","- C36 H60 Eu4 O32 P8 -","4","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.027","0.0216","","","0.0515","0.0541","","","","","","1.076","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702942","12.2733","0.0005","8.2942","0.0003","13.2498","0.0005","90","","95.335","0.001","90","","1342.95","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Er O8 P2 -","- C9 H15 Er O8 P2 -","- C36 H60 Er4 O32 P8 -","4","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.0406","0.0269","","","0.061","0.0675","","","","","","1.014","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702943","12.2412","0.0009","8.3929","0.0006","13.4782","0.0009","90","","96.943","0.002","90","","1374.58","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Nd O8 P2 -","- C9 H10 Nd O8 P2 -","- C36 H40 Nd4 O32 P8 -","4","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.0738","0.0654","","","0.1527","0.1604","","","","","","1.049","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702944","15.7365","0.0004","16.0434","0.0004","18.6754","0.0007","90","","90","","90","","4714.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1a","","- C18.84 H22.06 N8.92 O0.92 Zn2 -","- C18.829 H12.138 N8.912 O0.912 Zn2 -","- C150.632 H97.104 N71.296 O7.296 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","x-ray","1.54184","CuKα","","0.0771","0.0665","","","0.2121","0.2261","","","","","","1.077","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702945","15.9807","0.0011","18.5721","0.0016","15.6944","0.0008","90","","90","","90","","4658","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1f","","- C18.98 H23.37 N8.88 O0.88 Zn2 -","- C18.985 H12.222 N8.642 O0.88 Zn2 -","- C151.88 H97.776 N69.136 O7.04 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","","1.54184","CuKα","","0.0964","0.082","","","0.2416","0.259","","","","","","1.056","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702946","15.6574","0.0005","15.9532","0.0005","18.5634","0.0007","90","","90","","90","","4636.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1g","","- C18.78 H21.46 N8.65 O0.65 Zn2 -","- C19.078 H12.791 N8.647 O0.647 Zn2 -","- C152.624 H102.328 N69.176 O5.176 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","x-ray","1.54184","CuKα","","0.0845","0.0785","","","0.2299","0.2349","","","","","","1.175","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702947","10.8094","0.0007","17.2883","0.001","11.0181","0.0007","90","","92.01","0.002","90","","2057.8","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","HK1a","Tetracarbonyl-(2,2'-bipyridine)-manganese hexafluoroantimonate dichloromethane solvate","","- C15 H10 Cl2 F6 Mn N2 O4 Sb -","- C15 H10 Cl2 F6 Mn N2 O4 Sb -","- C60 H40 Cl8 F24 Mn4 N8 O16 Sb4 -","4","1","","Kuo, Hsin-Ya; Tignor, Steven E.; Lee, Tia S.; Ni, Danrui; Park, James Eujin; Scholes, Gregory D.; Bocarsly, Andrew B.","Reduction-induced CO dissociation by a [Mn(bpy)(CO)<sub>4</sub>][SbF<sub>6</sub>] complex and its relevance in electrocatalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","891","900","10.1039/c9dt04150h","","","0.71073","MoKα","","0.0482","0.0434","","","0.1009","0.1027","","","","","","1.206","","","","has coordinates","247751","2020-10-21","18:00:00",""
"7702948","9.0199","0.0014","11.945","0.002","13.587","0.002","90","","107.6","0.006","90","","1395.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(m-fluorophenyl)phenoxarsine","","- C18 H12 As F O -","- C18 H12 As F O -","- C72 H48 As4 F4 O4 -","4","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0675","0.0474","","","0.1235","0.1443","","","","","","1.099","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702949","16.4495","0.0007","16.4495","0.0007","12.68","0.0005","90","","90","","90","","3431","0.2","173","","173","","","","","","","","","7","I -4","I -4","82","","tetra-(μ^3^-iodo)-tetrakis(10-(p-fluorophenyl)phenoxarsine)copper(I)","","- C72 H48 As4 Cu4 F4 I4 O4 -","- C72 H48 As4 Cu4 F4 I4 O4 -","- C144 H96 As8 Cu8 F8 I8 O8 -","2","0.25","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0519","0.0458","","","0.0982","0.1002","","","","","","1.202","","","","has coordinates,has disorder","247730","2020-10-21","18:00:00",""
"7702950","12.4737","0.0006","13.1687","0.0006","25.6324","0.0012","77.387","0.002","76.819","0.002","83.848","0.002","3993.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","tetra-(μ^3^-iodo)-tetrakis(10-(p-ethoxyphenyl)phenoxarsine)copper(I)","","- C82 H71 As4 Cu4 I4 N O8 -","- C82 H71 As4 Cu4 I4 N O8 -","- C164 H142 As8 Cu8 I8 N2 O16 -","2","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0928","0.0587","","","0.1344","0.165","","","","","","1.001","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702951","16.01","0.004","29.907","0.006","6.3046","0.0013","90","","90","","90","","3018.7","1.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","10-(o-methoxyphenyl)phenoxarsine","","- C19 H15 As O2 -","- C19 H15 As O2 -","- C152 H120 As8 O16 -","8","2","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0647","0.0403","","","0.0892","0.1234","","","","","","1.088","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702952","21.6406","0.0017","21.6406","0.0017","15.3192","0.0015","90","","90","","90","","7174.2","1.1","100","","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","","tetra-(μ^3^-iodo)-tetrakis(10-(o-methoxyphenyl)phenoxarsine)copper(I)","","- C19 H15 As Cu I O2 -","- C19 H15 As Cu I O2 -","- C304 H240 As16 Cu16 I16 O32 -","16","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0843","0.046","","","0.1089","0.1411","","","","","","1.039","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702953","13.5287","0.0006","13.9447","0.0006","18.745","0.0008","93.001","0.004","100.392","0.004","116.78","0.004","3069.1","0.3","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H42 Cl0 Dy2 F12 N8 O10 -","- C64 H42 Dy2 F12 N8 O10 -","- C128 H84 Dy4 F24 N16 O20 -","2","1","","Cen, Peipei; Liu, Xiangyu; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Xie, Gang; Chen, Sanping; Pardo, Emilio","Modulating magnetic dynamics through tailoring the terminal ligands in Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","808","816","10.1039/c9dt03993g","","","","","","0.159","","","","","","","","","","","","","","","has coordinates","247741","2020-10-21","18:00:00",""
"7702954","13.6044","0.0004","13.6044","0.0004","28.6443","0.0008","90","","90","","120","","4591.2","0.2","150","0.1","150","0.1","","","","","","","","7","P 31","P 31","144","","","","- C56 H34 Dy2 F12 N8 O10 S4 -","- C56 H34 Dy2 F12 N8 O10 S4 -","- C168 H102 Dy6 F36 N24 O30 S12 -","3","1","","Cen, Peipei; Liu, Xiangyu; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Xie, Gang; Chen, Sanping; Pardo, Emilio","Modulating magnetic dynamics through tailoring the terminal ligands in Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","808","816","10.1039/c9dt03993g","","x-ray","1.54184","CuKα","","0.0453","0.0417","","","0.1022","0.1058","","","","","","1.031","","","","has coordinates,has disorder","247741","2020-10-21","18:00:00",""
"7702955","12.187","0.002","13.349","0.003","23.253","0.005","91.97","0.03","103.85","0.03","105.47","0.03","3520.3","1.5","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 N7 O14 Y -","- C54 H40 Cl2 Co F30 N7 O14 Y -","- C108 H80 Cl4 Co2 F60 N14 O28 Y2 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0961","0.0685","","","0.1703","0.192","","","","","","1.001","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702956","12.1364","0.0003","13.2997","0.0003","23.2102","0.0006","91.971","0.002","104.109","0.002","105.537","0.002","3480.6","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 Ho N7 O14 -","- C54 H40 Cl2 Co F30 Ho N7 O14 -","- C108 H80 Cl4 Co2 F60 Ho2 N14 O28 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0589","0.0406","","","0.0919","0.1002","","","","","","1.01","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702957","12.2121","0.0005","13.2856","0.0006","23.3097","0.0012","92.167","0.004","103.998","0.004","105.463","0.004","3515.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 Gd N7 O14 -","- C54 H40 Cl2 Co F30 Gd N7 O14 -","- C108 H80 Cl4 Co2 F60 Gd2 N14 O28 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0651","0.0528","","","0.1512","0.1613","","","","","","1.004","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702958","12.211","0.002","13.355","0.003","23.318","0.005","92.09","0.03","104.23","0.03","105.23","0.03","3535.7","1.5","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 N7 O14 Tb -","- C54 H40 Cl2 Co F30 N7 O14 Tb -","- C108 H80 Cl4 Co2 F60 N14 O28 Tb2 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0881","0.0752","","","0.1817","0.2035","","","","","","1.01","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702959","12.18","0.002","13.325","0.003","23.27","0.005","92","0.03","104.14","0.03","105.32","0.03","3512.1","1.5","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co Dy F30 N7 O14 -","- C54 H40 Cl2 Co Dy F30 N7 O14 -","- C108 H80 Cl4 Co2 Dy2 F60 N14 O28 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0776","0.0614","","","0.1702","0.1956","","","","","","1.007","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702960","8.183","0.004","12.029","0.006","13.174","0.008","65.36","0.02","75.12","0.02","84.37","0.02","1139.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 Li6 O18 -","- C48 H42 Li6 O18 -","- C48 H42 Li6 O18 -","1","0.5","","Petrus, Rafał; Fałat, Patryk; Sobota, Piotr","Use of lithium aryloxides as promoters for preparation of α-hydroxy acid esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","866","876","10.1039/c9dt03631h","","","0.71073","MoKα","","0.1065","0.0635","","","0.1313","0.1559","","","","","","1.034","","","","has coordinates","247753","2020-10-21","18:00:00",""
"7702961","4.982","0.003","11.477","0.005","26.122","0.006","90","","94.98","0.02","90","","1488","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Li O6 -","- C16 H15 Li O6 -","- C64 H60 Li4 O24 -","4","1","","Petrus, Rafał; Fałat, Patryk; Sobota, Piotr","Use of lithium aryloxides as promoters for preparation of α-hydroxy acid esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","866","876","10.1039/c9dt03631h","","","0.71073","MoKα","","0.0989","0.0554","","","0.114","0.1346","","","","","","1.031","","","","has coordinates","247753","2020-10-21","18:00:00",""
"7702962","16.678","0.004","10.147","0.003","7.008","0.002","90","","90","","90","","1186","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H15 Li O5 -","- C10 H15 Li O5 -","- C40 H60 Li4 O20 -","4","1","","Petrus, Rafał; Fałat, Patryk; Sobota, Piotr","Use of lithium aryloxides as promoters for preparation of α-hydroxy acid esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","866","876","10.1039/c9dt03631h","","","1.54178","CuKα","","0.0306","0.0303","","","0.0858","0.0861","","","","","","1.092","","","","has coordinates","247753","2020-10-21","18:00:00",""
"7702963","12.1133","0.0005","12.942","0.0007","15.0302","0.0008","70.115","0.005","84.171","0.004","84.068","0.004","2198.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 N3 O3 Ru -","- C23 H29 N3 O3 Ru -","- C92 H116 N12 O12 Ru4 -","4","2","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0555","0.0498","","","0.1294","0.1326","","","","","","1.142","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702964","5.9641","0.0004","8.3166","0.0007","15.9058","0.0016","98.82","0.007","95.605","0.006","104.953","0.006","745.39","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 Ru -","- C17 H18 N2 O2 Ru -","- C34 H36 N4 O4 Ru2 -","2","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0416","0.0369","","","0.0951","0.0967","","","","","","1.049","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702965","8.1567","0.0005","10.104","0.0007","10.3448","0.0007","111.683","0.007","91.422","0.006","93.468","0.005","789.77","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I O2 Ru -","- C16 H19 I O2 Ru -","- C32 H38 I2 O4 Ru2 -","2","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","0.71073","MoKα","","0.0994","0.0803","","","0.2123","0.2224","","","","","","1.115","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702966","7.6382","0.0003","20.2298","0.0009","8.0749","0.0003","90","","99.314","0.004","90","","1231.28","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N Ru -","- C14 H19 N Ru -","- C56 H76 N4 Ru4 -","4","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0332","0.028","","","0.0643","0.067","","","","","","1.04","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702967","11.9888","0.0012","5.6864","0.0005","14.2237","0.0016","90","","100.876","0.009","90","","952.26","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ru -","- C12 H12 Ru -","- C48 H48 Ru4 -","4","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","0.71073","MoKα","","0.086","0.0732","","","0.2051","0.2153","","","","","","1.056","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702968","30.3009","0.0005","30.3009","0.0005","5.97018","0.00011","90","","90","","120","","4747.11","0.14","100","0.1","100","0.1","","","","","","","","4","P -3","-P 3","147","","","","- C12 H14 O Ru -","- C12 H14 O Ru -","- C216 H252 O18 Ru18 -","18","3","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0518","0.0445","","","0.0927","0.0953","","","","","","1.16","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702969","12.244","0.009","13.196","0.009","16.49","0.012","109.25","0.03","93.811","0.019","105.368","0.013","2391","3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H58 Ge O2 P2 Si -","- C45 H48 Ge O P2 Si -","- C90 H96 Ge2 O2 P4 Si2 -","2","1","","Szkop, Kevin M.; Jupp, Andrew R.; Razumkov, Hlib; Stephan, Douglas W.","Avenue to phosphaalkenes from Ph<sub>3</sub>GePCO.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","885","890","10.1039/c9dt04590b","","","0.71073","MoKα","","0.1211","0.0555","","","0.1058","0.1201","","","","","","0.937","","","","has coordinates","247744","2020-10-21","18:00:00",""
"7702970","16.0049","0.0015","16.34","0.002","18.646","0.002","113.791","0.003","94.049","0.003","110.342","0.003","4055.4","0.8","149","2","149.53","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 Ge O P2 Si -","- C45 H48 Ge O P2 Si -","- C180 H192 Ge4 O4 P8 Si4 -","4","2","","Szkop, Kevin M.; Jupp, Andrew R.; Razumkov, Hlib; Stephan, Douglas W.","Avenue to phosphaalkenes from Ph<sub>3</sub>GePCO.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","885","890","10.1039/c9dt04590b","","","0.71073","MoKα","","0.0931","0.0417","","","0.0892","0.1067","","","","","","0.988","","","","has coordinates","247744","2020-10-21","18:00:00",""
"7702971","14.0359","0.0004","14.1167","0.0004","17.7636","0.0006","70.333","0.001","81.16","0.001","84.094","0.001","3270.04","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H83 Br3 Ce2 Li2 N8 P4 -","- C44 H83 Br3 Ce2 Li2 N8 P4 -","- C88 H166 Br6 Ce4 Li4 N16 P8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","0.71073","MoKα","","0.0321","0.0252","","","0.0663","0.0683","","","","","","1.076","","","","has coordinates","247736","2020-10-21","18:00:00",""
"7702972","12.4128","0.0004","15.6235","0.0005","17.6653","0.0005","96.143","0.001","100.177","0.001","102.728","0.001","3250.88","0.18","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Br3 Ce2 Li N8 P4 -","- C43.607 H83.083 Br3 Ce2 Li N8 P4 -","- C87.214 H166.166 Br6 Ce4 Li2 N16 P8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","1.34139","GaKα","","0.0395","0.0386","","","0.103","0.1038","","","","","","1.03","","","","has coordinates,has disorder","247736","2020-10-21","18:00:00",""
"7702973","14.3545","0.0004","19.2818","0.0005","21.2924","0.0006","91.396","0.001","105.106","0.001","109.615","0.001","5318.8","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H130 Br6 Ce2 N8 P4 Rh4 -","- C76 H130 Br6 Ce2 N8 P4 Rh4 -","- C152 H260 Br12 Ce4 N16 P8 Rh8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","1.34139","GaKα","","0.075","0.0671","","","0.1983","0.2056","","","","","","1.036","","","","has coordinates","247736","2020-10-21","18:00:00",""
"7702974","14.3632","0.0005","19.3199","0.0007","21.3343","0.0007","91.439","0.002","104.959","0.001","109.739","0.001","5342.3","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H130 Br6 Ce2 Ir4 N8 P4 -","- C76 H132 Br6 Ce2 Ir4 N8 P4 -","- C152 H264 Br12 Ce4 Ir8 N16 P8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","1.34139","GaKα","","0.0553","0.0483","","","0.1496","0.1554","","","","","","1.082","","","","has coordinates","247736","2020-10-21","18:00:00",""
"7702975","7.7792","0.0011","13.3468","0.0019","18.111","0.003","90","","100.6","0.004","90","","1848.3","0.5","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl2 Cu Mn N2 O3 -","- C17 H16 Cl2 Cu Mn N2 O3 -","- C68 H64 Cl8 Cu4 Mn4 N8 O12 -","4","1","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.0979","0.0946","","","0.2711","0.273","","","","","","1.139","","","","has coordinates,has disorder","247713","2020-10-21","18:00:00",""
"7702976","11.5779","0.0006","13.7188","0.0008","14.4713","0.0008","90","","109.985","0.004","90","","2160.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cu Mn N4 O10 -","- C18 H20 Cu Mn N4 O10 -","- C72 H80 Cu4 Mn4 N16 O40 -","4","1","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.1321","0.0664","","","0.1615","0.1939","","","","","","1.003","","","","has coordinates,has disorder","247713","2020-10-21","18:00:00",""
"7702977","15.56","0.002","8.5983","0.0013","31.676","0.005","90","","103.136","0.003","90","","4127","1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H78 Cl2 Cu4 Mn2 N8 O26 -","- C82 H78 Cl2 Cu4 Mn2 N8 O26 -","- C164 H156 Cl4 Cu8 Mn4 N16 O52 -","2","0.5","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.1214","0.0533","","","0.1002","0.1248","","","","","","1.014","","","","has coordinates,has disorder","247713","2020-10-21","18:00:00",""
"7702978","9.7423","0.0006","10.1101","0.0006","11.7562","0.0006","92.292","0.003","90.616","0.002","92.587","0.003","1155.74","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 Cu2 Mn2 N4 O10 -","- C48 H42 Cl2 Cu2 Mn2 N4 O10 -","- C48 H42 Cl2 Cu2 Mn2 N4 O10 -","1","0.5","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.0744","0.0588","","","0.1556","0.17","","","","","","1.091","","","","has coordinates","247713","2020-10-21","18:00:00",""
"7702979","12.959","0.0008","13.5286","0.001","14.2464","0.001","70.93","0.002","64.023","0.002","81.799","0.002","2122.1","0.3","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 F9 N7 -","- C48 H36 F9 N7 -","- C96 H72 F18 N14 -","2","1","","Welsh, Athi; Rylands, Laa-Iqa; Arion, Vladimir B.; Prince, Sharon; Smith, Gregory S.","Synthesis and antiproliferative activity of benzimidazole-based, trinuclear neutral cyclometallated and cationic, N<sup>^</sup>N-chelated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1143","1156","10.1039/c9dt03902c","","","0.71073","MoKα","","0.0907","0.0504","","","0.1011","0.1215","","","","","","1.0305","","","","has coordinates,has disorder","247724","2020-10-21","18:00:00",""
"7702980","15.9799","0.001","15.9799","0.001","15.7925","0.0009","90","","90","","120","","3492.4","0.4","173","2","173","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C45 H39 N7 -","- C45 H39 N7 -","- C180 H156 N28 -","4","0.333333","","Welsh, Athi; Rylands, Laa-Iqa; Arion, Vladimir B.; Prince, Sharon; Smith, Gregory S.","Synthesis and antiproliferative activity of benzimidazole-based, trinuclear neutral cyclometallated and cationic, N<sup>^</sup>N-chelated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1143","1156","10.1039/c9dt03902c","","","0.71073","MoKα","","0.0515","0.0391","","","0.093","0.1016","","","","","","1.031","","","","has coordinates","247724","2020-10-21","18:00:00",""
"7702981","14.8404","0.0002","10.6928","0.0001","31.4241","0.0005","90","","90","","90","","4986.55","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H35 Al Fe N2 -","- C26 H35 Al Fe N2 -","- C208 H280 Al8 Fe8 N16 -","8","1","","Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S","Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1124","1134","10.1039/c9dt03808f","","","0.71073","MoKα","","0.051","0.0397","","","0.0876","0.0943","","","","","","1.067","","","","has coordinates","247716","2020-10-21","18:00:00",""
"7702982","19.7132","0.0004","15.7957","0.0003","28.5412","0.0007","90","","90.08","0.001","90","","8887.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H61 Al Fe2 N4 -","- C49 H61 Al Fe2 N4 -","- C392 H488 Al8 Fe16 N32 -","8","2","","Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S","Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1124","1134","10.1039/c9dt03808f","","","0.71073","MoKα","","0.1012","0.0659","","","0.1458","0.1661","","","","","","1.017","","","","has coordinates","247716","2020-10-21","18:00:00",""
"7702983","20.6079","0.0019","8.0992","0.0007","43.27","0.004","90","","101.284","0.004","90","","7082.5","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H45 Al Fe2 N4 -","- C41 H45 Al Fe2 N4 -","- C328 H360 Al8 Fe16 N32 -","8","1","","Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S","Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1124","1134","10.1039/c9dt03808f","","","1.54178","CuKα","","0.0543","0.043","","","0.1067","0.1104","","","","","","1.113","","","","has coordinates","247716","2020-10-21","18:00:00",""
"7702984","18.173","0.0002","14.6537","0.0005","9.8443","0.0006","90","","90","","90","","2621.55","0.19","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H57 Al N4 P2 -","- C56 H57 Al N4 P2 -","- C112 H114 Al2 N8 P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0554","0.0384","","","0.0819","0.0862","","","","","","0.947","","","","has coordinates","247737","2020-10-21","18:00:00",""
"7702985","18.4844","0.0004","14.5247","0.0008","10.2958","0.0008","90","","90","","90","","2764.2","0.3","240","","240","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H61 Cl Ga N4 O0.5 P2 -","- C58 H61 Cl Ga N4 O0.5 P2 -","- C116 H122 Cl2 Ga2 N8 O P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.1388","0.0635","","","0.159","0.1979","","","","","","0.983","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702986","18.3994","0.0004","14.4577","0.0005","10.2758","0.0007","90","","90","","90","","2733.5","0.2","150","","150","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H61 Al Cl N4 O P2 -","- C58 H61 Al Cl N4 O P2 -","- C116 H122 Al2 Cl2 N8 O2 P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0787","0.0575","","","0.1546","0.1697","","","","","","1.058","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702987","12.6494","0.0002","12.6494","0.0002","58.6453","0.0012","90","","90","","120","","8126.5","0.2","150","","150","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C56 H56 Al Cl4 Ga N4 P2 -","- C56 H56 Al Cl4 Ga N4 P2 -","- C336 H336 Al6 Cl24 Ga6 N24 P12 -","6","1","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.115","0.0654","","","0.1145","0.1306","","","","","","1.034","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702988","12.6047","0.0003","12.6047","0.0003","58.597","0.002","90","","90","","120","","8062.5","0.4","150","","150","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C56 H56 Al Cl4 Ga N4 P2 -","- C56 H56 Al Cl4 Ga N4 P2 -","- C336 H336 Al6 Cl24 Ga6 N24 P12 -","6","1","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0771","0.0485","","","0.0767","0.0813","","","","","","0.942","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702989","28.6657","0.0008","28.6657","0.0008","52.375","0.002","90","","90","","120","","37272","2","110","","110","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C174 H240 Au6 Cu10 N12 O3 S8 -","- C174 H240 Au6 Cu10 N12 O3 S8 -","- C1044 H1440 Au36 Cu60 N72 O18 S48 -","6","0.166667","","Polgar, Alexander M.; Franzke, Yannick J.; Lebedkin, Sergei; Weigend, Florian; Corrigan, John F.","Preparation and luminescence properties of a M<sub>16</sub> heterometallic coinage metal chalcogenide cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","593","597","10.1039/c9dt02669j","","","1.54178","CuKα","","0.0696","0.0403","","","0.0972","0.1117","","","","","","1.035","","","","has coordinates,has disorder","247743","2020-10-21","18:00:00",""
"7702990","17.9448","0.0004","8.8955","0.0001","30.1258","0.0006","90","","97.649","0.002","90","","4766.13","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Cl2 Co N5 -","- C49 H57 Cl2 Co N5 -","- C196 H228 Cl8 Co4 N20 -","4","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.0696","0.0452","","","0.1031","0.1096","","","","","","0.841","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702991","37.112","0.0008","15.8626","0.0002","17.1798","0.0004","90","","90.502","0.002","90","","10113.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H57 Co N7 S2 -","- C51 H57 Co N7 S2 -","- C408 H456 Co8 N56 S16 -","8","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.0685","0.0438","","","0.1038","0.1125","","","","","","0.917","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702992","17.9513","0.0004","8.8923","0.0002","30.3407","0.0007","90","","97.413","0.002","90","","4802.76","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Br2 Co N5 -","- C49 H57 Br2 Co N5 -","- C196 H228 Br8 Co4 N20 -","4","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.079","0.0437","","","0.0799","0.084","","","","","","0.836","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702993","13.5981","0.0004","18.2954","0.0005","21.4975","0.0006","67.463","0.002","87.059","0.002","72.737","0.002","4705.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H124 Br2 Co N10 O3 -","- C100 H124 Br2 Co N10 O3 -","- C200 H248 Br4 Co2 N20 O6 -","2","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.0502","0.0378","","","0.0944","0.0977","","","","","","0.933","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702994","15.779","0.006","21.493","0.005","22.043","0.006","70.174","0.019","79.49","0.03","82.11","0.03","6892","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H206 Co3 N12 O21 S6 Si6 -","- C103 H206 Co3 N12 O21 S6 Si6 -","- C206 H412 Co6 N24 O42 S12 Si12 -","2","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","","0.71073","MoKα","","0.0827","0.0449","","","0.0949","0.1048","","","","","","0.85","","","","has coordinates,has disorder","247747","2020-10-21","18:00:00",""
"7702995","9.182","0.005","14.081","0.013","16.395","0.007","104.97","0.05","94.6","0.04","99.97","0.06","1999","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H124 Co2 N4 O12 S4 Si4 -","- C60 H124 Co2 N4 O12 S4 Si4 -","- C60 H124 Co2 N4 O12 S4 Si4 -","1","0.5","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.0588","0.0422","","","0.1035","0.1117","","","","","","1.043","","","","has coordinates","247747","2020-10-21","18:00:00",""
"7702996","9.556","0.009","13.484","0.007","20.611","0.014","99.29","0.05","101.1","0.06","108.21","0.06","2405","3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H66 Co N4 O7.5 S2 Si2 -","- C35.5 H66 Co N4 O7.5 S2 Si2 -","- C71 H132 Co2 N8 O15 S4 Si4 -","2","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.0863","0.0664","","","0.1629","0.1766","","","","","","1.054","","","","has coordinates,has disorder","247747","2020-10-21","18:00:00",""
"7702997","27.991","0.003","9.623","0.003","16.419","0.003","90","","90","","90","","4422.6","1.7","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H62 Co N2 O6 S2 Si2 -","- C30 H62 Co N2 O6 S2 Si2 -","- C120 H248 Co4 N8 O24 S8 Si8 -","4","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.1339","0.0942","","","0.2155","0.2413","","","","","","1.037","","","","has coordinates","247747","2020-10-21","18:00:00",""
"7702998","9.825","0.003","15.238","0.004","18.819","0.005","108.65","0.02","96.17","0.02","108.46","0.02","2462.9","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H74 Co N4 O8 S2 Si2 -","- C36 H74 Co N4 O8 S2 Si2 -","- C72 H148 Co2 N8 O16 S4 Si4 -","2","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.0511","0.0361","","","0.0899","0.0955","","","","","","1.038","","","","has coordinates","247747","2020-10-21","18:00:00",""
"7702999","11.705","0.0012","12.9909","0.0014","13.1353","0.0015","96.537","0.007","110.688","0.006","106.507","0.007","1739.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","AL-II-062","","","- C72 H100 N12 O2 V2 -","- C72 H100 N12 O2 V2 -","- C72 H100 N12 O2 V2 -","1","0.5","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","0.71073","MoKα","","0.1196","0.0558","","","0.1088","0.1305","","","","","","1.003","","","","has coordinates,has disorder","247721","2020-10-21","18:00:00",""
"7703000","10.5713","0.0009","16.0342","0.0011","19.4152","0.0015","94.679","0.006","95.011","0.006","99.765","0.005","3215.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H88 Cl N10 O3 V2 -","- C68 H88 Cl N10 O3 V2 -","- C136 H176 Cl2 N20 O6 V4 -","2","1","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","1.54178","CuKα","","0.2001","0.1087","","","0.2749","0.343","","","","","","1.087","","","","has coordinates,has disorder","247721","2020-10-21","18:00:00",""
"7703001","15.0518","0.0004","14.5044","0.0004","17.2485","0.0004","90","","92.868","0.002","90","","3760.93","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","AL_II_025","","","- C39 H48 N11 V -","- C39 H48 N11 V -","- C156 H192 N44 V4 -","4","1","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","0.71073","MoKα","","0.0794","0.0462","","","0.0982","0.1119","","","","","","1.017","","","","has coordinates","247721","2020-10-21","18:00:00",""
"7703002","11.5972","0.0002","14.7064","0.0003","21.9685","0.0005","90","","95.6135","0.0016","90","","3728.83","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Cl2 N5 V -","- C39 H48 Cl2 N5 V -","- C156 H192 Cl8 N20 V4 -","4","1","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","1.54178","CuKα","","0.038","0.0361","","","0.0943","0.0958","","","","","","1.067","","","","has coordinates,has disorder","247721","2020-10-21","18:00:00",""
"7703003","14.7867","0.0002","4.6209","0.0001","27.4643","0.0003","90","","94.362","0.001","90","","1871.14","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O3 S2 -","- C20 H24 O3 S2 -","- C80 H96 O12 S8 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.0394","0.0332","","","0.0828","0.0862","","","","","","1.025","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7703004","16.627","0.009","16.627","0.009","19.05","0.01","90","","90","","90","","5267","5","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C84 H112 Cl2 Cu2 N2 O26 S8 -","- C84 H112 Cl2 Cu2 N2 O26 S8 -","- C168 H224 Cl4 Cu4 N4 O52 S16 -","2","0.125","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.1124","0.0696","","","0.1995","0.2234","","","","","","1.045","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7703005","7.998","0.0002","13.8621","0.0003","17.8754","0.0004","90","","90","","90","","1981.83","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S2 -","- C21 H26 O3 S2 -","- C84 H104 O12 S8 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.0357","0.0306","","","0.0621","0.0642","","","","","","1.033","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7703006","17.2239","0.0002","13.0421","0.0002","20.8189","0.0003","90","","90.679","0.001","90","","4676.34","0.11","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cu N2 O9 S2 -","- C20 H24 Cu N2 O9 S2 -","- C160 H192 Cu8 N16 O72 S16 -","8","1","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.0737","0.0423","","","0.0816","0.0915","","","","","","1.034","","","","has coordinates,has disorder","248938","2020-10-21","18:00:00",""
"7703007","13.933","0.0019","14.2147","0.0019","14.591","0.002","110.716","0.002","98.574","0.002","112.773","0.002","2351.2","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H60 Ge2 Mo20 N24 Ni7 O90 -","- C12 H60 Ge2 Mo20 N24 Ni7 O90 -","- C12 H60 Ge2 Mo20 N24 Ni7 O90 -","1","0.5","","Xu, Hui; Liu, Xing-Man; Su, Tan; Chen, Wei-Chao; Su, Zhong-Min","Two Ni/Co-substituted sandwich-type germanomolybdates based on an unprecedented trivacant polyanion [α-GeMo<sub>10</sub>O<sub>36</sub>]<sup>8</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","977","982","10.1039/c9dt04433g","","","0.71073","MoKα","","0.0483","0.0351","","","0.0824","0.0893","","","","","","1.039","","","","has coordinates,has disorder","247707","2020-10-21","18:00:00",""
"7703008","13.9114","0.0012","14.1874","0.0012","14.6356","0.0013","110.55","0.004","98.559","0.004","112.651","0.004","2357.5","0.4","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H62 Co7 Ge2 Mo20 N24 O91 -","- C12 H62 Co7 Ge2 Mo20 N24 O91 -","- C12 H62 Co7 Ge2 Mo20 N24 O91 -","1","0.5","","Xu, Hui; Liu, Xing-Man; Su, Tan; Chen, Wei-Chao; Su, Zhong-Min","Two Ni/Co-substituted sandwich-type germanomolybdates based on an unprecedented trivacant polyanion [α-GeMo<sub>10</sub>O<sub>36</sub>]<sup>8</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","977","982","10.1039/c9dt04433g","","","1.54178","CuKα","","0.0405","0.031","","","0.0675","0.0716","","","","","","1.05","","","","has coordinates,has disorder","247707","2020-10-21","18:00:00",""
"7703009","20.3151","0.0006","7.6382","0.0002","7.8312","0.0002","90","","103.589","0.004","90","","1181.16","0.06","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 H4 Mn3 N O8 P3 -","- F6 H4 Mn3 N O8 P3 -","- F24 H16 Mn12 N4 O32 P12 -","4","0.5","","Jiang, Jianhua; Zhu, Bei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Open-framework ammonium transition metal fluorophosphates with a Kagomé lattice network: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","841","849","10.1039/c9dt03370j","","x-ray","0.71073","MoKα","","0.0963","0.0396","","","0.0329","0.0389","","","","1.24","1.24","1.08","","","","has coordinates","247745","2020-10-21","18:00:00",""
"7703010","19.9678","0.0009","7.4883","0.0003","7.5679","0.0003","90","","102.676","0.003","90","","1104.01","0.08","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co3 F6 H4 N O8 P3 -","- Co3 F6 H4 N O8 P3 -","- Co12 F24 H16 N4 O32 P12 -","4","0.5","","Jiang, Jianhua; Zhu, Bei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Open-framework ammonium transition metal fluorophosphates with a Kagomé lattice network: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","841","849","10.1039/c9dt03370j","","x-ray","0.71073","MoKα","","0.0675","0.0477","","","0.0685","0.0789","","","","1.15","1.15","1.15","","","","has coordinates","247745","2020-10-21","18:00:00",""
"7703011","9.4922","0.0015","9.5414","0.0015","9.7672","0.0015","96.308","0.003","92.175","0.003","95.542","0.003","874.1","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cl2 N3 O4 Zn -","- C14 H17 Cl2 N3 O4 Zn -","- C28 H34 Cl4 N6 O8 Zn2 -","2","1","","Dasgupta, Sanchari; Karim, Suhana; Banerjee, Saswati; Saha, Moumita; Das Saha, Krishna; Das, Debasis","Designing of novel zinc(ii) Schiff base complexes having acyl hydrazone linkage: study of phosphatase and anti-cancer activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1232","1240","10.1039/c9dt04636d","","","0.71073","MoKα","","0.0444","0.0301","","","0.0754","0.0822","","","","","","1.037","","","","has coordinates","247712","2020-10-21","18:00:00",""
"7703012","10.0765","0.0008","11.2853","0.0009","17.8222","0.0014","90","","99.024","0.002","90","","2001.6","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 N3 O2 Zn -","- C20 H17 Cl2 N3 O2 Zn -","- C80 H68 Cl8 N12 O8 Zn4 -","4","1","","Dasgupta, Sanchari; Karim, Suhana; Banerjee, Saswati; Saha, Moumita; Das Saha, Krishna; Das, Debasis","Designing of novel zinc(ii) Schiff base complexes having acyl hydrazone linkage: study of phosphatase and anti-cancer activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1232","1240","10.1039/c9dt04636d","","","0.71073","MoKα","","0.0404","0.031","","","0.091","0.1042","","","","","","0.859","","","","has coordinates","247712","2020-10-21","18:00:00",""
"7703013","5.66017","0.00004","4.75153","0.00004","41.095","0.0003","90","","93.0499","0.0006","90","","1103.66","0.015","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","copper 6-hydroxy-2-naphtylphosphonate hydrate","","- C20 H20 Cu2 O11 P2 -","- C20 H20 Cu2 O11 P2 -","- C40 H40 Cu4 O22 P4 -","2","0.5","","Beaubras, Félicien; Rueff, Jean-Michel; Perez, Olivier; Veillon, Fabien; Caignaert, Vincent; Lohier, Jean-François; Cardin, Julien; Rogez, Guillaume; Jestin, Charlotte; Couthon, Hélène; Jaffrès, Paul-Alain","M(H<sub>2</sub>O)(PO<sub>3</sub>C<sub>10</sub>H<sub>6</sub>OH)·(H<sub>2</sub>O)<sub>0.5</sub> (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3877","3891","10.1039/c9dt03947c","","","1.54184","CuKα","","0.0374","0.0374","","","0.0965","0.0965","","","","","","1.264","","","","has coordinates,has disorder","250310","2020-10-21","18:00:00",""
"7703014","7.3353","0.0003","40.691","0.002","7.44","0.0002","90","","99.144","0.004","90","","2192.48","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cobalt 6-hydroxy-2-naphtylphosphonate hydrate","","- C20 H20 Co2 O11 P2 -","- C20 H20 Co2 O11 P2 -","- C80 H80 Co8 O44 P8 -","4","1","","Beaubras, Félicien; Rueff, Jean-Michel; Perez, Olivier; Veillon, Fabien; Caignaert, Vincent; Lohier, Jean-François; Cardin, Julien; Rogez, Guillaume; Jestin, Charlotte; Couthon, Hélène; Jaffrès, Paul-Alain","M(H<sub>2</sub>O)(PO<sub>3</sub>C<sub>10</sub>H<sub>6</sub>OH)·(H<sub>2</sub>O)<sub>0.5</sub> (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3877","3891","10.1039/c9dt03947c","","x-ray","0.71073","MoKα","","0.0758","0.0448","","","0.0992","0.1137","","","","","","1.055","","","","has coordinates,has disorder","250310","2020-10-21","18:00:00",""
"7703015","7.4672","0.0003","40.7737","0.0009","7.6132","0.001","90","","99.045","0.008","90","","2289.1","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","manganese 6-hydroxy-2-naphtylphosphonate hydrate","","- C20 H18 Mn2 O11 P2 -","- C20 H18 Mn2 O11 P2 -","- C80 H72 Mn8 O44 P8 -","4","1","","Beaubras, Félicien; Rueff, Jean-Michel; Perez, Olivier; Veillon, Fabien; Caignaert, Vincent; Lohier, Jean-François; Cardin, Julien; Rogez, Guillaume; Jestin, Charlotte; Couthon, Hélène; Jaffrès, Paul-Alain","M(H<sub>2</sub>O)(PO<sub>3</sub>C<sub>10</sub>H<sub>6</sub>OH)·(H<sub>2</sub>O)<sub>0.5</sub> (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3877","3891","10.1039/c9dt03947c","","x-ray","0.71073","MoKα","","0.2631","0.1097","","","0.1031","0.1256","","","","3.26","3.26","2.4","","","","has coordinates","250310","2020-10-21","18:00:00",""
"7703016","30.8643","0.001","33.5932","0.001","16.8652","0.0005","90","","109.072","0.001","90","","16526.5","0.9","170","2","170","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C114 H70 N12 O24 Th3 en lv so t -","- C113.5 H70 N12 O24 Th3 -","- C454 H280 N48 O96 Th12 -","4","0.5","","Huang, Zhi-Wei; Hu, Kong-Qiu; Mei, Lei; Kong, Xiang-He; Yu, Ji-Pan; Liu, Kang; Zeng, Li-Wen; Chai, Zhi-Fang; Shi, Wei-Qun","A mixed-ligand strategy regulates thorium-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","983","987","10.1039/c9dt04158c","","","1.54178","CuKα","","0.0484","0.0351","","","0.0866","0.0907","","","","","","1.063","","","","has coordinates,has disorder","247709","2020-10-21","18:00:00",""
"7703017","31.969","0.002","33.2567","0.0019","16.7836","0.001","90","","106.849","0.003","90","","17078","1.8","170","2","170","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C116 H72 N10 O24 Th3 en lv so t -","- C116 H72 N10 O24 Th3 -","- C464 H288 N40 O96 Th12 -","4","0.5","","Huang, Zhi-Wei; Hu, Kong-Qiu; Mei, Lei; Kong, Xiang-He; Yu, Ji-Pan; Liu, Kang; Zeng, Li-Wen; Chai, Zhi-Fang; Shi, Wei-Qun","A mixed-ligand strategy regulates thorium-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","983","987","10.1039/c9dt04158c","","","1.54178","CuKα","","0.0711","0.0542","","","0.1329","0.142","","","","","","1.04","","","","has coordinates,has disorder","247709","2020-10-21","18:00:00",""
"7703018","22.9449","0.0007","27.0456","0.0009","25.5786","0.0008","90","","97.896","0.003","90","","15722.5","0.9","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C148 H212 K8 O19 -","- C148 H212 K8 O19 -","- C592 H848 K32 O76 -","4","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1668","0.0942","","","0.2219","0.2786","","","","","","1.027","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703019","13.8885","0.0003","14.0584","0.0002","20.1573","0.0003","76.568","0.001","80.439","0.002","62.616","0.002","3391.09","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H73 Cl N6 O2 Pr -","- C62 H73 Cl N6 O2 Pr -","- C124 H146 Cl2 N12 O4 Pr2 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.0629","0.0446","","","0.1055","0.1129","","","","","","1.049","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703020","21.7935","0.0006","23.1848","0.0007","24.666","0.001","112.342","0.003","91.967","0.003","92.513","0.002","11499","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H188 Ce2 K2 O19 -","- C136 H188 Ce2 K2 O19 -","- C272 H376 Ce4 K4 O38 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1661","0.1061","","","0.267","0.3166","","","","","","1.025","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703021","13.9455","0.0002","14.0906","0.0002","20.0971","0.0003","76.03","0.001","80.32","0.001","61.847","0.001","3372.09","0.09","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H86 Ce Cl N7 O3 -","- C71 H86 Ce Cl N7 O3 -","- C142 H172 Ce2 Cl2 N14 O6 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","","0.71073","MoKα","","0.0521","0.0377","","","0.0818","0.088","","","","","","1.054","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703022","15.3646","0.0009","15.4365","0.0009","15.9168","0.0008","95.053","0.004","116.088","0.005","115.951","0.006","2858.8","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H91 I O8 Pr -","- C56 H91 I O8 Pr -","- C112 H182 I2 O16 Pr2 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","","1.54184","CuKα","","0.0809","0.0655","","","0.1702","0.1823","","","","","","1.068","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703023","17.6636","0.0003","33.274","0.0006","27.8553","0.0005","90","","92.6191","0.0017","90","","16354.5","0.5","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C164 H244 Ce2 K2 O23 -","- C164 H244 Ce2 K2 O23 -","- C656 H976 Ce8 K8 O92 -","4","0.5","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1133","0.0859","","","0.1651","0.1785","","","","","","1.204","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703024","17.29805","0.00013","21.51193","0.00016","25.0448","0.0004","97.6409","0.0009","103.454","0.0009","94.2363","0.0006","8930.03","0.18","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C95 H109 Ce K N8 O4 -","- C95 H109 Ce K N8 O4 -","- C380 H436 Ce4 K4 N32 O16 -","4","2","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","1.54184","CuKα","","0.0866","0.0793","","","0.2053","0.213","","","","","","1.053","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703025","10.958","0.0006","18.271","0.001","14.4742","0.0007","90","","97.547","0.005","90","","2872.8","0.3","120","0.14","120","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 O4 -","- C64 H86 O4 -","- C128 H172 O8 -","2","0.5","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1238","0.0709","","","0.1331","0.1525","","","","","","1.031","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703026","18.6073","0.0007","31.2563","0.0011","33.684","0.002","90","","101.184","0.005","90","","19218.4","1.5","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C180 H276 K2 O21 Pr2 -","- C180 H276 K2 O21 Pr2 -","- C720 H1104 K8 O84 Pr8 -","4","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","1.54184","CuKα","","0.1678","0.1068","","","0.2719","0.3281","","","","","","1.022","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703027","19.7117","0.0003","23.3826","0.0004","25.9038","0.0006","82.21","0.002","74.578","0.002","82.797","0.001","11353.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","WK-LPT-BH4","","- C233 H293 B4 Ce4 N21 O8 -","- C233 H293 B4 Ce4 N21 O8 -","- C466 H586 B8 Ce8 N42 O16 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1345","0.0655","","","0.112","0.134","","","","","","1.01","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703028","16.5331","0.0002","31.1551","0.0004","36.0837","0.0006","90","","99.828","0.002","90","","18313.6","0.5","93","","93.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C300 H420 Ce4 O24 -","- C300 H420 Ce4 O24 -","- C600 H840 Ce8 O48 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","","0.71075","MoKα","","0.1239","0.1112","","","0.2768","0.2878","","","","","","1.061","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703029","7.4274","0.0005","8.7073","0.0004","9.5745","0.0006","89.309","0.004","74.711","0.005","83.026","0.004","592.74","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O4 Te -","- C11 H13 N O4 Te -","- C22 H26 N2 O8 Te2 -","2","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.038","0.0311","","","0.0707","0.0732","","","","","","1.06","","","","has coordinates,has disorder","247722","2020-10-21","18:00:00",""
"7703030","6.841","0.0003","12.7707","0.0006","14.5049","0.0007","90","","97.292","0.004","90","","1256.96","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl3 N Te -","- C11 H8 Cl3 N Te -","- C44 H32 Cl12 N4 Te4 -","4","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0438","0.0329","","","0.0592","0.0652","","","","","","1.063","","","","has coordinates","247722","2020-10-21","18:00:00",""
"7703031","11.5515","0.0004","10.5679","0.0003","21.3676","0.0006","90","","104.168","0.003","90","","2529.11","0.14","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 N2 O7 Te2 -","- C24 H24 N2 O7 Te2 -","- C96 H96 N8 O28 Te8 -","4","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0699","0.049","","","0.1139","0.1265","","","","","","1.023","","","","has coordinates","247722","2020-10-21","18:00:00",""
"7703032","6.825","0.0002","8.4104","0.0003","22.4903","0.0008","90","","90","","90","","1290.97","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl3 N Te -","- C11 H8 Cl3 N Te -","- C44 H32 Cl12 N4 Te4 -","4","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0403","0.0354","","","0.0653","0.0683","","","","","","1.027","","","","has coordinates","247722","2020-10-21","18:00:00",""
"7703033","17.756","0.004","8.602","0.003","35.078","0.005","90","","99.697","0.019","90","","5281","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 Cl4 N2 O2 Te2 -","- C23 H20 Cl4 N2 O2 Te2 -","- C184 H160 Cl32 N16 O16 Te16 -","8","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0362","0.0345","","","0.0712","0.0723","","","","","","1.168","","","","has coordinates,has disorder","247722","2020-10-21","18:00:00",""
"7703034","21.6214","0.0012","10.9205","0.0005","20.4742","0.001","90","","104.226","0.006","90","","4686","0.4","120.03","0.1","120.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H58 N2 P2 -","- C53 H58 N2 P2 -","- C212 H232 N8 P8 -","4","1","","Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","993","997","10.1039/c9dt04690a","","x-ray","0.71073","MoKα","","0.0825","0.0627","","","0.1323","0.1396","","","","","","1.066","","","","has coordinates","247720","2020-10-21","18:00:00",""
"7703035","16.7505","0.0007","16.1364","0.0008","18.143","0.0008","90","","98.797","0.005","90","","4846.2","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H64 N2 O P2 -","- C55 H64 N2 O P2 -","- C220 H256 N8 O4 P8 -","4","1","","Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","993","997","10.1039/c9dt04690a","","","0.71073","MoKα","","0.0491","0.0374","","","0.0805","0.0837","","","","","","1.046","","","","has coordinates","247720","2020-10-21","18:00:00",""
"7703036","12.9095","0.0006","21.2248","0.0012","23.3462","0.0011","66.943","0.005","81.227","0.004","81.959","0.004","5794.4","0.5","293.12","0.1","293.12","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C132 H159 N4 O2 P4 -","- C132 H159 N4 O2 P4 -","- C264 H318 N8 O4 P8 -","2","1","","Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","993","997","10.1039/c9dt04690a","","x-ray","0.71073","MoKα","","0.0945","0.0575","","","0.1325","0.1483","","","","","","1.041","","","","has coordinates","247720","2020-10-21","18:00:00",""
"7703037","16.698","0.005","10.978","0.003","19.835","0.006","90","","104.241","0.01","90","","3524.2","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 B F15 N4 O P -","- C35 H29 B F15 N4 O P -","- C140 H116 B4 F60 N16 O4 P4 -","4","1","","Briceno-Strocchia, Alvaro I; Johnstone, Timothy C.; Stephan, Douglas W.","Using frustrated Lewis pairs to explore C-F bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1319","1324","10.1039/c9dt04588k","","","0.71073","MoKα","","0.0903","0.0443","","","0.1047","0.1246","","","","","","1.026","","","","has coordinates","247717","2020-10-21","18:00:00",""
"7703038","10.5556","0.0006","10.6686","0.0005","18.9054","0.001","98.024","0.003","90.22","0.003","119.185","0.002","1834.15","0.17","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H53 B F3 N4 O P -","- C40 H47.637 B F3 N4 O P -","- C80 H95.274 B2 F6 N8 O2 P2 -","2","1","","Briceno-Strocchia, Alvaro I; Johnstone, Timothy C.; Stephan, Douglas W.","Using frustrated Lewis pairs to explore C-F bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1319","1324","10.1039/c9dt04588k","","","0.71073","MoKα","","0.0752","0.0517","","","0.132","0.1455","","","","","","1.025","","","","has coordinates,has disorder","247717","2020-10-21","18:00:00",""
"7703039","9.0748","0.0008","14.7556","0.0014","17.468","0.0017","71.896","0.005","89.899","0.005","89.942","0.006","2223.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 F3 N4 O4 P S -","- C18 H28 F3 N4 O4 P S -","- C72 H112 F12 N16 O16 P4 S4 -","4","2","","Briceno-Strocchia, Alvaro I; Johnstone, Timothy C.; Stephan, Douglas W.","Using frustrated Lewis pairs to explore C-F bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1319","1324","10.1039/c9dt04588k","","","0.71073","MoKα","","0.1458","0.0488","","","0.0806","0.0996","","","","","","0.7597","","","","has coordinates","247717","2020-10-21","18:00:00",""
"7703040","12.4276","0.0011","24.0925","0.0018","22.4107","0.0016","90","","97.991","0.007","90","","6644.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H81 Co5 N2 O18 -","- C48 H81 Co5 N2 O18 -","- C192 H324 Co20 N8 O72 -","4","1","","Fiorini, Guillermo; Carrella, Luca; Rentschler, Eva; Alborés, Pablo","Structural characterization and magnetic property studies of a mixed-valence {Co<sup>III</sup>Co} complex with a μ<sub>4</sub>-oxo tetrahedral {Co} motif.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","932","940","10.1039/c9dt03561c","","","0.71073","MoKα","","0.1992","0.0947","","","0.2268","0.3092","","","","","","1.03","","","","has coordinates,has disorder","247740","2020-10-21","18:00:00",""
"7703041","16.5619","0.0003","16.8748","0.0002","16.9072","0.0002","92.027","0.001","100.314","0.001","98.926","0.001","4582.85","0.12","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H117 Ag2 Mo8 N5 O28 P2 -","- C73 H117 Ag2 Mo8 N5 O28 P2 -","- C146 H234 Ag4 Mo16 N10 O56 P4 -","2","1","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.038","0.0263","","","0.0551","0.0581","","","","","","1.041","","","","has coordinates,has disorder","248942","2020-10-21","18:00:00",""
"7703042","13.8102","0.0016","19.359","0.0007","15.2005","0.0011","90","","116.826","0.012","90","","3626.5","0.6","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H94 Ag2 Br2 Mo8 N6 O28 -","- C48 H94 Ag2 Br2 Mo8 N6 O28 -","- C96 H188 Ag4 Br4 Mo16 N12 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0789","0.0438","","","0.0713","0.0824","","","","","","1.021","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703043","13.7196","0.0004","15.0038","0.0004","22.9225","0.0007","90","","105.954","0.003","90","","4536.8","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Ag2 As2 Mo8 N4 O28 -","- C74 H116 Ag2 As2 Mo8 N4 O28 -","- C148 H232 Ag4 As4 Mo16 N8 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0431","0.0295","","","0.0628","0.0674","","","","","","1.058","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703044","13.6714","0.0006","14.9284","0.0005","22.8407","0.001","90","","105.875","0.004","90","","4483.8","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Ag2 Mo8 N4 O28 P2 -","- C74 H116 Ag2 Mo8 N4 O28 P2 -","- C148 H232 Ag4 Mo16 N8 O56 P4 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0571","0.0351","","","0.0664","0.0764","","","","","","1.064","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703045","16.7622","0.0008","16.303","0.0007","23.535","0.0009","90","","90","","90","","6431.5","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H84 Ag2 Mo8 N6 O26 -","- C42 H84 Ag2 Mo8 N6 O26 -","- C168 H336 Ag8 Mo32 N24 O104 -","4","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0605","0.0382","","","0.0824","0.0913","","","","","","1.114","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703046","13.8548","0.0007","19.3512","0.0006","15.1241","0.0008","90","","117.004","0.007","90","","3612.8","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H94 Ag2 Cl2 Mo8 N6 O28 -","- C48 H94 Ag2 Cl2 Mo8 N6 O28 -","- C96 H188 Ag4 Cl4 Mo16 N12 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0493","0.0356","","","0.0806","0.0864","","","","","","1.042","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703047","16.9154","0.0008","18.2535","0.0006","16.9286","0.0008","90","","118.481","0.006","90","","4594.4","0.4","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Ag2 Mo8 N4 O28 Sb2 -","- C74 H116 Ag2 Mo8 N4 O28 Sb2 -","- C148 H232 Ag4 Mo16 N8 O56 Sb4 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0319","0.0257","","","0.0624","0.0648","","","","","","1.045","","","","has coordinates,has disorder","248942","2020-10-21","18:00:00",""
"7703048","13.8249","0.0008","19.4381","0.0007","15.3544","0.0009","90","","116.353","0.007","90","","3697.4","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H94 Ag2 I2 Mo8 N6 O28 -","- C48 H94 Ag2 I2 Mo8 N6 O28 -","- C96 H188 Ag4 I4 Mo16 N12 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0459","0.0357","","","0.0912","0.0967","","","","","","1.052","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703049","11.3665","0.0004","12.0432","0.0004","12.7074","0.0004","94.658","0.003","90.989","0.003","95.871","0.003","1724.09","0.1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 Ag2 Mo6 N8 O25 P2 -","- C52 H70 Ag2 Mo6 N8 O25 P2 -","- C52 H70 Ag2 Mo6 N8 O25 P2 -","1","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0285","0.0237","","","0.0541","0.0562","","","","","","1.055","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703050","14.158","0.0004","14.8963","0.0005","19.5225","0.0006","88.701","0.002","71.414","0.003","82.71","0.002","3870.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H108 Ag2 Mo8 N6 O28 -","- C54 H108 Ag2 Mo8 N6 O28 -","- C108 H216 Ag4 Mo16 N12 O56 -","2","1","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0562","0.0356","","","0.0694","0.0771","","","","","","1.011","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703051","13.0475","0.0005","16.5992","0.0006","17.9506","0.0007","88.636","0.003","74.794","0.004","68.719","0.004","3484.7","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C90 H186 Ag4 Mo16 N18 O54 -","2","1","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.1216","0.0576","","","0.1122","0.1303","","","","","","0.959","","","","has coordinates,has disorder","248942","2020-10-21","18:00:00",""
"7703052","7.1213","0.0003","10.9493","0.0005","13.8046","0.0006","81.707","0.004","88.055","0.004","72.596","0.004","1016.32","0.08","139.1","0.3","139.1","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu N6 O7 -","- C50 H34 Cu N6 O7 -","- C50 H34 Cu N6 O7 -","1","0.5","","Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1674","1680","10.1039/c9dt04567h","","x-ray","1.54184","CuKα","","0.0508","0.043","","","0.1074","0.1144","","","","","","1.059","","","","has coordinates,has disorder","248944","2020-10-21","18:00:00",""
"7703053","7.1161","0.0008","10.8134","0.0014","13.898","0.002","81.988","0.012","86.064","0.01","74.16","0.01","1018.3","0.2","127","1","127","1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H33 Cu N7 O8 -","- C50 H33 Cu N7 O8 -","- C50 H33 Cu N7 O8 -","1","0.5","","Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1674","1680","10.1039/c9dt04567h","","x-ray","0.71073","MoKα","","0.1388","0.0998","","","0.1954","0.2115","","","","","","1.183","","","","has coordinates,has disorder","248944","2020-10-21","18:00:00",""
"7703054","7.2467","0.0013","10.935","0.002","13.919","0.003","82.29","0.004","87.182","0.004","72.275","0.004","1041.1","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H32 Br Cu N6 O6 -","- C50 H32 Br Cu N6 O6 -","- C50 H32 Br Cu N6 O6 -","1","0.5","","Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1674","1680","10.1039/c9dt04567h","","","0.71073","MoKα","","0.1339","0.0911","","","0.2312","0.2565","","","","","","1.073","","","","has coordinates,has disorder","248944","2020-10-21","18:00:00",""
"7703055","8.5677","0.0004","10.2597","0.0005","16.9517","0.0008","98.385","0.001","98.093","0.001","104.752","0.001","1400.7","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cl N2 P Ru -","- C32 H38 Cl N2 P Ru -","- C64 H76 Cl2 N4 P2 Ru2 -","2","1","","Kalsin, Alexander M.; Peganova, Tatyana A.; Sinopalnikova, Iana S.; Fedyanin, Ivan V.; Belkova, Natalia V.; Deydier, Eric; Poli, Rinaldo","Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1473","1484","10.1039/c9dt04532e","","","0.71073","MoKα","","0.0352","0.0283","","","0.0636","0.0672","","","","","","1.027","","","","has coordinates","248935","2020-10-21","18:00:00",""
"7703056","8.3234","0.0004","9.3567","0.0005","24.2732","0.0013","86.402","0.004","84.285","0.003","74.464","0.003","1810.98","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Cl N2 O4 P Ru -","- C40 H42 Cl N2 O4 P Ru -","- C80 H84 Cl2 N4 O8 P2 Ru2 -","2","1","","Kalsin, Alexander M.; Peganova, Tatyana A.; Sinopalnikova, Iana S.; Fedyanin, Ivan V.; Belkova, Natalia V.; Deydier, Eric; Poli, Rinaldo","Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1473","1484","10.1039/c9dt04532e","","","1.54178","CuKα","","0.0687","0.0626","","","0.1499","0.1534","","","","","","1.029","","","","has coordinates,has disorder","248935","2020-10-21","18:00:00",""
"7703057","14.8955","0.0004","8.8088","0.0003","20.4146","0.0006","90","","109.922","0.001","90","","2518.33","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Butylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C19 H28 Cu2 I3 N3 -","- C19 H28 Cu2 I3 N3 -","- C76 H112 Cu8 I12 N12 -","4","1","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","1.54178","CuKα","","0.0362","0.0338","","","0.0815","0.0827","","","","","","1.198","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703058","10.8148","0.0014","14.4485","0.0019","14.7668","0.0019","90","","102.129","0.002","90","","2255.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Propylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C17 H24 Cu2 I3 N3 -","- C17 H24 Cu2 I3 N3 -","- C68 H96 Cu8 I12 N12 -","4","1","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","0.71073","MoKα","","0.0278","0.0185","","","0.0349","0.0376","","","","","","1.027","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703059","14.3925","0.0007","16.2544","0.0008","9.1907","0.0006","90","","105.184","0.001","90","","2075","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Ethylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C15 H20 Cu2 I3 N3 -","- C15 H20 Cu2 I3 N3 -","- C60 H80 Cu8 I12 N12 -","4","0.5","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","0.71073","MoKα","","0.0175","0.0147","","","0.0306","0.0315","","","","","","1.074","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703060","14.6496","0.0006","31.7022","0.0012","8.2725","0.0003","90","","94.514","0.001","90","","3830","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Methylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C26 H32 Cu4 I6 N6 -","- C26 H32 Cu4 I6 N6 -","- C104 H128 Cu16 I24 N24 -","4","1","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","0.71073","","","0.029","0.0226","","","0.0435","0.0449","","","","","","1.149","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703061","10.6012","0.0004","8.6819","0.0004","12.6458","0.0005","90","","112.502","0.002","90","","1075.29","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B7 Ba Cs O12 -","- B7 Ba Cs O12 -","- B28 Ba4 Cs4 O48 -","4","1","","Miao, Zhaohong; Yang, Yun; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Effect of anion dimensionality on optical properties: the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>] layer in CsB<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>vs. the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>12</sub>] framework in CsBaB<sub>7</sub>O<sub>12</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1292","1299","10.1039/c9dt04539b","","","0.71073","MoKα","","0.0461","0.0286","","","0.0529","0.0584","","","","","","1.0058","","","","has coordinates","247715","2020-10-21","18:00:00",""
"7703062","9.083","0.005","9.585","0.005","11.938","0.007","90","","97.94","0.006","90","","1029.4","1","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B7 Cs H2 O12 -","- B7 Cs H2 O12 -","- B28 Cs4 H8 O48 -","4","0.5","","Miao, Zhaohong; Yang, Yun; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Effect of anion dimensionality on optical properties: the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>] layer in CsB<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>vs. the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>12</sub>] framework in CsBaB<sub>7</sub>O<sub>12</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1292","1299","10.1039/c9dt04539b","","","0.71073","MoKα","","0.0243","0.0216","","","0.0453","0.0466","","","","","","1.048","","","","has coordinates","247715","2020-10-21","18:00:00",""
"7703063","12.3848","0.0011","23.95","0.003","16.0358","0.0017","90","","90","","90","","4756.5","0.9","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","H2O","","- C56 H36 Fe N10 O2 S2 -","- C56 H36 Fe N10 O2 S2 -","- C224 H144 Fe4 N40 O8 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.1363","0.0876","","","0.1844","0.2108","","","","","","1.061","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703064","12.0479","0.0017","25.4757","0.0015","14.6834","0.0015","90","","90","","90","","4506.8","0.8","149.99","0.1","149.99","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","C28H16Fe0.5N5S","","- C56 H32 Fe N10 S2 -","- C56 H32 Fe N10 S2 -","- C224 H128 Fe4 N40 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2009","0.1308","","","0.2657","0.2924","","","","","","1.169","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703065","12.1817","0.0008","25.003","0.0017","17.0415","0.0013","90","","90","","90","","5190.5","0.6","299.96","0.1","299.96","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H38FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.0795","0.0517","","","0.1259","0.1399","","","","","","1.026","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703066","11.988","0.0003","24.7721","0.0007","16.8246","0.0005","90","","90","","90","","4996.4","0.2","150","0.1","150","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H38FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.0326","0.0299","","","0.0798","0.0816","","","","","","1.037","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703067","12.1381","0.0013","24.95","0.003","16.8691","0.0016","90","","90","","90","","5108.7","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H44FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2312","0.1429","","","0.2453","0.3116","","","","","","1.224","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703068","11.9693","0.0013","24.7798","0.0013","16.7667","0.0009","90","","90","","90","","4973","0.7","149.99","0.1","149.99","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H42FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.1959","0.1401","","","0.2793","0.3159","","","","","","1.214","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703069","12.5057","0.0019","24.082","0.004","16.14","0.002","90","","90","","90","","4860.8","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1.2H2O","","- C56 H36 Fe N10 O2 S2 -","- C56 H36 Fe N10 O2 S2 -","- C224 H144 Fe4 N40 O8 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2636","0.1377","","","0.2281","0.287","","","","","","1.095","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703070","10.03","0.004","12.557","0.004","13.499","0.005","66.078","0.004","84.299","0.005","82.021","0.005","1537.3","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H46 N4 -","- C32 H46 N4 -","- C64 H92 N8 -","2","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0981","0.0746","","","0.158","0.1694","","","","","","1.042","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703071","16.4092","0.0009","9.5095","0.0009","17.0073","0.001","90","","108.349","0.003","90","","2518.9","0.3","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H80 N4 -","- C57 H80 N4 -","- C114 H160 N8 -","2","0.25","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1268","0.0936","","","0.1672","0.1849","","","","","","1.058","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703072","8.505","0.003","13.44","0.005","14.919","0.007","90","","94.584","0.013","90","","1699.9","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Al2 N2 O2 -","- C34 H56 Al2 N2 O2 -","- C68 H112 Al4 N4 O4 -","2","0.5","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0394","0.033","","","0.0731","0.077","","","","","","1.029","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703073","13.9","0.005","18.37","0.006","16.078","0.006","90","","106.95","0.014","90","","3927","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 Al2 N4 -","- C38 H64 Al2 N4 -","- C152 H256 Al8 N16 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0877","0.0714","","","0.1953","0.2088","","","","","","1.005","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703074","8.5697","0.0019","19.226","0.004","18.509","0.004","90","","93.238","0.008","90","","3044.7","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 N2 Zn -","- C32 H50 N2 Zn -","- C128 H200 N8 Zn4 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0696","0.0518","","","0.102","0.1093","","","","","","1.13","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703075","28.2584","0.0016","15.9307","0.0009","13.3344","0.0006","90","","90","","90","","6002.8","0.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H83 N3 O3 Zn3 -","- C54 H83 N3 O3 Zn3 -","- C216 H332 N12 O12 Zn12 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0527","0.0399","","","0.0749","0.0796","","","","","","1.038","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703076","14.239","0.013","8.148","0.003","38.13","0.02","90","","91.22","0.03","90","","4423","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 Al2 N4 -","- C46 H66 Al2 N4 -","- C184 H264 Al8 N16 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1043","0.0589","","","0.1038","0.1256","","","","","","1.121","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703077","13.611","0.003","32.599","0.006","16.534","0.003","90","","95.799","0.003","90","","7299","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H80 Cl4 Ga2 N4 -","- C57 H80 Cl4 Ga2 N4 -","- C228 H320 Cl16 Ga8 N16 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1531","0.0988","","","0.2072","0.2279","","","","","","1.067","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703078","9.425","0.002","37.074","0.009","8.102","0.002","90","","111.579","0.003","90","","2632.6","1.1","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H41 Al N2 -","- C27 H41 Al N2 -","- C108 H164 Al4 N8 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0426","0.0396","","","0.1134","0.1163","","","","","","1.023","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703079","13.65","0.03","25.08","0.05","24.33","0.05","90","","92.47","0.07","90","","8321","3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H80 Cl4 N4 Zn2 -","- C57 H80 Cl4 N4 Zn2 -","- C228 H320 Cl16 N16 Zn8 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1308","0.074","","","0.1906","0.2107","","","","","","1.024","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703080","18.453","0.002","11.663","0.002","11.0742","0.001","90","","94.348","0.009","90","","2376.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H7 Co3 N6 O6 -","- C14 H6 Co3 N6 O6 -","- C56 H24 Co12 N24 O24 -","4","0.5","","Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming","Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","750","756","10.1039/c9dt04295d","","","0.71073","MoKα","","0.1185","0.0691","","","0.1395","0.1713","","","","","","1.02","","","","has coordinates","247755","2020-10-21","18:00:00",""
"7703081","17.7685","0.0009","12.7627","0.0009","11.209","0.0005","90","","95.114","0.004","90","","2531.8","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Co2.36 Fe0.19 N6 Ni0.45 O6 -","- C14 H6 Co2.3601 Fe0.1899 N6 Ni0.45 O6 -","- C56 H24 Co9.4404 Fe0.7596 N24 Ni1.8 O24 -","4","0.5","","Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming","Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","750","756","10.1039/c9dt04295d","","","1.54184","CuKα","","0.085","0.0596","","","0.1575","0.1734","","","","","","1.026","","","","has coordinates","247755","2020-10-21","18:00:00",""
"7703082","17.648","0.006","13.038","0.004","11.183","0.002","90","","95.34","0.03","90","","2562","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H7 Co2.79 Fe0.21 N6 O6 -","- C14 H6 Co2.79 Fe0.21 N6 O6 -","- C56 H24 Co11.16 Fe0.84 N24 O24 -","4","0.5","","Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming","Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","750","756","10.1039/c9dt04295d","","","0.71073","MoKα","","0.1093","0.0591","","","0.1126","0.1338","","","","","","1.004","","","","has coordinates","247755","2020-10-21","18:00:00",""
"7703083","8.1762","0.0003","12.406","0.0004","40.2745","0.0012","90","","90","","90","","4085.2","0.2","154.4","0.2","154.4","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H27 Cl2 Cu N3 O -","- C20 H27 Cl2 Cu N3 O -","- C160 H216 Cl16 Cu8 N24 O8 -","8","1","","Liu, Ming; Song, Xue-Qing; Wu, Yuan-Di; Qian, Jing; Xu, Jing-Yuan","Cu(ii)-TACN complexes selectively induce antitumor activity in HepG-2 cells via DNA damage and mitochondrial-ROS-mediated apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","114","123","10.1039/c9dt03641e","","x-ray","0.71073","MoKα","","0.0349","0.0301","","","0.0686","0.0718","","","","","","1.051","","","","has coordinates","246373","2020-10-21","18:00:00",""
"7703084","15.4577","0.0009","16.981","0.0011","19.2095","0.0012","66.763","0.006","66.652","0.006","69.687","0.005","4143.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 N3 O19 S4 Zn3.5 -","- C33 H29 N3 O19 S4 Zn3.5 -","- C66 H58 N6 O38 S8 Zn7 -","2","1","","Yang, Xiao-Gang; Zhai, Zhi-Min; Liu, Xin-Yi; Li, Jin-Yao; Li, Fei-Fei; Ma, Lu-Fang","Sulfur heteroatom-based MOFs with long-lasting room-temperature phosphorescence and high photoelectric response.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","598","602","10.1039/c9dt04046c","","","0.71073","MoKα","","0.1136","0.0922","","","0.2536","0.2729","","","","","","1.06","","","","has coordinates,has disorder","247735","2020-10-21","18:00:00",""
"7703085","7.903","0.0004","10.0174","0.0007","10.5515","0.0008","103.392","0.006","99.731","0.005","92.961","0.005","797.33","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 N2 O4 S2 Zn -","- C16 H10 N2 O4 S2 Zn -","- C32 H20 N4 O8 S4 Zn2 -","2","1","","Yang, Xiao-Gang; Zhai, Zhi-Min; Liu, Xin-Yi; Li, Jin-Yao; Li, Fei-Fei; Ma, Lu-Fang","Sulfur heteroatom-based MOFs with long-lasting room-temperature phosphorescence and high photoelectric response.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","598","602","10.1039/c9dt04046c","","x-ray","0.71073","MoKα","","0.047","0.0384","","","0.0776","0.0818","","","","","","1.03","","","","has coordinates","247735","2020-10-21","18:00:00",""
"7703086","13.248","0.002","14.1411","0.0017","14.322","0.003","114.37","0.016","110.071","0.018","94.339","0.015","2220.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Fe3 K O19 S -","- C38 H43 Fe3 K O19 S -","- C76 H86 Fe6 K2 O38 S2 -","2","1","","Shupp, J. Patrick; Rose, Michael J.","Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","23","26","10.1039/c9dt04098f","","","1.54184","CuKα","","0.1272","0.0881","","","0.2157","0.2572","","","","","","0.999","","","","has coordinates,has disorder","246375","2020-10-21","18:00:00",""
"7703087","11.695","0.0003","15.2437","0.0004","15.3863","0.0004","63","0.003","70.31","0.002","87.375","0.002","2282.27","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 Fe3 K O19 S -","- C40 H47 Fe3 K O19 S -","- C80 H94 Fe6 K2 O38 S2 -","2","1","","Shupp, J. Patrick; Rose, Michael J.","Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","23","26","10.1039/c9dt04098f","","x-ray","0.71073","MoKα","","0.0364","0.0299","","","0.0737","0.0766","","","","","","1.026","","","","has coordinates","246375","2020-10-21","18:00:00",""
"7703088","11.7472","0.0007","15.4129","0.0006","25.0874","0.0008","80.089","0.003","83.912","0.004","72.768","0.004","4266.3","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H90 Fe5 K2 O35 S2 -","- C74 H90 Fe5 K2 O35 S2 -","- C148 H180 Fe10 K4 O70 S4 -","2","1","","Shupp, J. Patrick; Rose, Michael J.","Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","23","26","10.1039/c9dt04098f","","x-ray","0.71073","MoKα","","0.1202","0.082","","","0.2029","0.2281","","","","","","1.013","","","","has coordinates","246375","2020-10-21","18:00:00",""
"7703089","10.671","0.003","14.937","0.004","19.407","0.006","103.999","0.005","98.116","0.006","95.146","0.005","2946.6","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H48 Fe N14 O5 -","- C61 H48 Fe N14 O5 -","- C122 H96 Fe2 N28 O10 -","2","1","","Senthil Kumar, Kuppusamy; Vela, Sergi; Heinrich, Benoît; Suryadevara, Nithin; Karmazin, Lydia; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)<sub>2</sub>] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1022","1031","10.1039/c9dt04411f","","","0.71073","MoKα","","0.199","0.086","","","0.1925","0.2373","","","","","","0.947","","","","has coordinates","247706","2020-10-21","18:00:00",""
"7703090","14.996","0.0005","12.2416","0.0004","14.5185","0.0004","90","","93.432","0.002","90","","2660.45","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Fe N14 O4 -","- C24 H20 Fe N14 O4 -","- C96 H80 Fe4 N56 O16 -","4","0.5","","Senthil Kumar, Kuppusamy; Vela, Sergi; Heinrich, Benoît; Suryadevara, Nithin; Karmazin, Lydia; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)<sub>2</sub>] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1022","1031","10.1039/c9dt04411f","","","0.71073","MoKα","","0.0886","0.066","","","0.1506","0.1666","","","","","","1.253","","","","has coordinates,has disorder","247706","2020-10-21","18:00:00",""
"7703091","10.9722","0.0008","22.0874","0.0018","22.1996","0.0018","90","","90","","90","","5380","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N14 O5 Zn -","- C23 H20 N14 O5 Zn -","- C184 H160 N112 O40 Zn8 -","8","1","","Senthil Kumar, Kuppusamy; Vela, Sergi; Heinrich, Benoît; Suryadevara, Nithin; Karmazin, Lydia; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)<sub>2</sub>] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1022","1031","10.1039/c9dt04411f","","","0.71073","MoKα","","0.0528","0.0334","","","0.0752","0.0848","","","","","","1.073","","","","has coordinates","247706","2020-10-21","18:00:00",""
"7703092","16.656","0.0006","10.487","0.0003","13.6439","0.0005","90","","117.812","0.001","90","","2107.9","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Yttrium-organic Compound","","","- C7 H8 O10 Y -","- C7 H8 O10 Y -","- C56 H64 O80 Y8 -","8","1","","Singha, Debal Kanti; Majee, Prakash; Hui, Sayani; Mondal, Sudip Kumar; Mahata, Partha","Luminescent metal-organic framework-based phosphor for the detection of toxic oxoanions in an aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","829","840","10.1039/c9dt04220b","","","0.71073","MoKα","","0.0273","0.0211","","","0.0509","0.0529","","","","","","1.036","","","","has coordinates","247749","2020-10-21","18:00:00",""
"7703093","15.3627","0.0007","25.6099","0.0013","19.3806","0.001","90","","97.155","0.002","90","","7565.7","0.6","115","2","115.37","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H67 Cl4 Cu4 N18 O4 -","- C76 H67 Cl4 Cu4 N18 O4 -","- C304 H268 Cl16 Cu16 N72 O16 -","4","1","","Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","682","689","10.1039/c9dt03484f","","","0.71073","MoKα","","0.067","0.0565","","","0.155","0.1637","","","","","","1.033","","","","has coordinates","247746","2020-10-21","18:00:00",""
"7703094","10.2363","0.0003","28.3921","0.001","20.3755","0.0008","90","","103.01","0.002","90","","5769.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 Cu F6 N9 O3 P -","- C66 H56 Cu F6 N9 O3 P -","- C264 H224 Cu4 F24 N36 O12 P4 -","4","1","","Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","682","689","10.1039/c9dt03484f","","","0.71073","MoKα","","0.0734","0.0594","","","0.1494","0.1612","","","","","","0.886","","","","has coordinates","247746","2020-10-21","18:00:00",""
"7703095","14.284","0.002","14.674","0.002","19.778","0.003","108.886","0.005","91.815","0.006","95.593","0.006","3894.9","1","100","2","99.85","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H79 Br3 Cu3 N18 O9 -","- C77 H79 Br3 Cu3 N18 O9 -","- C154 H158 Br6 Cu6 N36 O18 -","2","1","","Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","682","689","10.1039/c9dt03484f","","x-ray","0.71073","MoKα","","0.0617","0.0493","","","0.1175","0.1259","","","","","","1.043","","","","has coordinates","247746","2020-10-21","18:00:00",""
"7703096","9.3038","0.001","9.3958","0.0008","9.984","0.0015","92.354","0.007","116.196","0.005","111.11","0.006","709.4","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C28 H16 O12 U2 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0504","0.0316","","","0.0494","0.0529","","","","","","0.916","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703097","9.6239","0.0008","11.7355","0.0007","12.023","0.001","61.358","0.004","67.648","0.004","80.938","0.005","1101.68","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 N4 Ni O12 U -","- C44 H56 N4 Ni O12 U -","- C44 H56 N4 Ni O12 U -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0362","0.0306","","","0.0581","0.0589","","","","","","1.012","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703098","9.4256","0.0005","15.029","0.0005","15.8358","0.0008","76.635","0.003","78.852","0.002","87.993","0.003","2141.21","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H29 Ag2 N O17 U2 -","- C44 H29 Ag2 N O17 U2 -","- C88 H58 Ag4 N2 O34 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0371","0.0263","","","0.0562","0.0586","","","","","","1.046","","","","has coordinates,has disorder","247750","2020-10-21","18:00:00",""
"7703099","11.7413","0.0006","12.9324","0.0007","13.9484","0.0005","116.738","0.003","99.863","0.003","104.484","0.003","1729.92","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H68 N6 Ni O22 U2 -","- C70 H68 N6 Ni O22 U2 -","- C70 H68 N6 Ni O22 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0359","0.0272","","","0.0538","0.0557","","","","","","1.018","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703100","9.4464","0.0008","9.6422","0.001","15.019","0.0012","82.508","0.005","73.613","0.005","67.945","0.004","1215.92","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cu N6 O18 U2 -","- C44 H52 Cu N6 O18 U2 -","- C44 H52 Cu N6 O18 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.055","0.0393","","","0.0677","0.071","","","","","","0.965","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703101","9.6615","0.0005","12.0553","0.0004","17.6732","0.0008","90","","92.542","0.003","90","","2056.41","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O6 U -","- C24 H16 N2 O6 U -","- C96 H64 N8 O24 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.04","0.0286","","","0.0619","0.0647","","","","","","1.041","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703102","9.9607","0.0004","11.8944","0.0009","18.54","0.0016","90","","96.404","0.004","90","","2182.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O6 U -","- C26 H16 N2 O6 U -","- C104 H64 N8 O24 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0452","0.0314","","","0.066","0.0696","","","","","","1.04","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703103","9.6248","0.0009","13.5485","0.001","15.1649","0.0016","88.758","0.006","78.287","0.005","82.984","0.006","1921.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cu N4 O30 U3 -","- C72 H76 Cu N4 O30 U3 -","- C72 H76 Cu N4 O30 U3 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0667","0.0397","","","0.0816","0.088","","","","","","1.026","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703104","9.3807","0.0005","15.4285","0.0007","16.3847","0.0009","76.348","0.003","74.879","0.003","86.421","0.003","2224.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N2 O16 U2 -","- C46 H40 N2 O16 U2 -","- C92 H80 N4 O32 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0433","0.0277","","","0.0578","0.061","","","","","","1.011","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703105","8.8681","0.0013","9.0206","0.0014","16.558","0.002","79.765","0.013","77.487","0.013","68.12","0.014","1193.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 Mn N4 O4 -","- C23 H30 Mn N4 O4 -","- C46 H60 Mn2 N8 O8 -","2","1","","Deka, Hemanta; Kumar, Ankit; Patra, Soumyadip; Awasthi, Mahendra Kumar; Singh, Sanjay Kumar","Synthesis, structure and catalytic activity of manganese(ii) complexes derived from bis(imidazole)methane-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","757","763","10.1039/c9dt03886h","","","0.71073","MoKα","","0.1147","0.0768","","","0.1991","0.2405","","","","","","1.077","","","","has coordinates","247742","2020-10-21","18:00:00",""
"7703106","9.183","0.0005","9.2736","0.0005","16.6245","0.001","82.388","0.005","75.759","0.005","67.089","0.005","1262.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mn N4 O5 -","- C24 H32 Mn N4 O5 -","- C48 H64 Mn2 N8 O10 -","2","1","","Deka, Hemanta; Kumar, Ankit; Patra, Soumyadip; Awasthi, Mahendra Kumar; Singh, Sanjay Kumar","Synthesis, structure and catalytic activity of manganese(ii) complexes derived from bis(imidazole)methane-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","757","763","10.1039/c9dt03886h","","","0.71073","MoKα","","0.0546","0.0469","","","0.1413","0.1523","","","","","","0.903","","","","has coordinates","247742","2020-10-21","18:00:00",""
"7703107","8.4602","0.0008","8.5103","0.0009","18.4139","0.0019","83.507","0.005","85.826","0.004","81.688","0.004","1301.3","0.2","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H35 B Cl2 N O4 P -","- C25 H35 B Cl2 N O4 P -","- C50 H70 B2 Cl4 N2 O8 P2 -","2","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.0803","0.0435","","","0.0856","0.0987","","","","","","1.0323","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703108","8.4123","0.0012","23.192","0.003","14.1688","0.0016","90","","93.502","0.007","90","","2759.1","0.6","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 B Cl2 O5 P -","- C29 H32 B Cl2 O5 P -","- C116 H128 B4 Cl8 O20 P4 -","4","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1489","0.0808","","","0.1971","0.2358","","","","","","1.0494","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703109","9.1682","0.0005","10.2095","0.0006","11.9282","0.0008","95.406","0.004","100.075","0.004","103.545","0.004","1058.01","0.11","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 B O3 P -","- C24 H26 B O3 P -","- C48 H52 B2 O6 P2 -","2","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1074","0.0556","","","0.1195","0.1414","","","","","","1.016","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703110","10.2242","0.0005","12.1371","0.0006","27.8749","0.0013","90","","98.86","0.004","90","","3417.8","0.3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 B2 N2 O8 P2 -","- C32 H50 B2 N2 O8 P2 -","- C128 H200 B8 N8 O32 P8 -","4","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1475","0.0684","","","0.1226","0.1503","","","","","","1.0499","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703111","10.068","0.0008","15.7236","0.0012","10.3832","0.0006","90","","116.613","0.004","90","","1469.57","0.19","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 B2 O6 P2 -","- C28 H44 B2 O6 P2 -","- C56 H88 B4 O12 P4 -","2","0.5","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.0654","0.0411","","","0.0877","0.0988","","","","","","1.0312","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703112","12.434","0.01","12.992","0.01","14.929","0.012","69.501","0.017","87.98","0.03","70.6","0.04","2122","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 B N O4 P -","- C21 H27 B N O4 P -","- C84 H108 B4 N4 O16 P4 -","4","2","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1093","0.0514","","","0.0962","0.1155","","","","","","0.994","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703113","11.168","0.005","14.565","0.007","16.547","0.007","104.696","0.013","90.64","0.02","103.469","0.012","2525","2","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 B N2 O3 P -","- C27 H32 B N2 O3 P -","- C108 H128 B4 N8 O12 P4 -","4","2","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1335","0.0634","","","0.1263","0.1519","","","","","","1.017","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703114","12.976","0.0013","14.0764","0.0012","12.6962","0.0012","90","","111.493","0.005","90","","2157.8","0.4","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 B Cl2 O3 P S2 -","- C16 H24 B Cl2 O3 P S2 -","- C64 H96 B4 Cl8 O12 P4 S8 -","4","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1038","0.0492","","","0.0971","0.1171","","","","","","1.004","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703115","11.635","0.017","12.086","0.018","13.25","0.02","90.56","0.05","109.67","0.05","91.88","0.03","1753","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H74 B2 Cl2 N4 O6 P2 -","- C75 H74 B2 Cl2 N4 O6 P2 -","- C75 H74 B2 Cl2 N4 O6 P2 -","1","0.5","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1338","0.0651","","","0.166","0.1964","","","","","","1.052","","","","has coordinates,has disorder","247739","2020-10-21","18:00:00",""
"7703116","16.8669","0.0015","10.5925","0.0008","17.1483","0.0015","90","","90","","90","","3063.8","0.4","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 B2 O8 P2 -","- C28 H44 B2 O8 P2 -","- C112 H176 B8 O32 P8 -","4","0.5","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.0417","0.0328","","","0.0858","0.0994","","","","","","1.1044","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703117","30.6129","0.001","10.5408","0.0002","15.8947","0.0005","90","","103.153","0.003","90","","4994.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 F Fe N3 O4 -","- C30 H30 F Fe N3 O4 -","- C240 H240 F8 Fe8 N24 O32 -","8","1","","Szczupak, Łukasz; Kowalczyk, Aleksandra; Trzybiński, Damian; Woźniak, Krzysztof; Mendoza, Gracia; Arruebo, Manuel; Steverding, Dietmar; Stączek, Paweł; Kowalski, Konrad","Organometallic ciprofloxacin conjugates with dual action: synthesis, characterization, and antimicrobial and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1403","1415","10.1039/c9dt03948a","","x-ray","1.54184","CuKα","","0.1076","0.0992","","","0.2509","0.2579","","","","","","1.046","","","","has coordinates,has disorder","248933","2020-10-21","18:00:00",""
"7703118","11.2786","0.0005","7.2123","0.0003","34.7213","0.0009","90","","93.113","0.003","90","","2820.22","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 F Mn N3 O7 -","- C28 H25 F Mn N3 O7 -","- C112 H100 F4 Mn4 N12 O28 -","4","1","","Szczupak, Łukasz; Kowalczyk, Aleksandra; Trzybiński, Damian; Woźniak, Krzysztof; Mendoza, Gracia; Arruebo, Manuel; Steverding, Dietmar; Stączek, Paweł; Kowalski, Konrad","Organometallic ciprofloxacin conjugates with dual action: synthesis, characterization, and antimicrobial and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1403","1415","10.1039/c9dt03948a","","x-ray","1.54184","CuKα","","0.088","0.0755","","","0.2055","0.2139","","","","","","1.069","","","","has coordinates,has disorder","248933","2020-10-21","18:00:00",""
"7703119","11.1016","0.0002","13.3903","0.0003","24.3259","0.0005","78.765","0.002","80.424","0.002","89.325","0.002","3496.62","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H45 Br Cl2 O3.5 Ti -","- C33 H41 Br Cl2 O3 Ti -","- C132 H164 Br4 Cl8 O12 Ti4 -","4","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and structures of titanium complexes bearing tetradentate tripodal [O<sub>2</sub>XC] ligands (X = C, P).","Dalton transactions (Cambridge, England : 2003)","2020","49","1","27","30","10.1039/c9dt03969d","","x-ray","0.71073","MoKα","","0.0865","0.05","","","0.0921","0.1043","","","","","","1.013","","","","has coordinates,has disorder","246384","2020-10-21","18:00:00",""
"7703120","9.8645","0.0002","17.6446","0.0005","21.7498","0.0005","90","","89.382","0.002","90","","3785.44","0.16","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 O4 Ti -","- C43 H60 O4 Ti -","- C172 H240 O16 Ti4 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and structures of titanium complexes bearing tetradentate tripodal [O<sub>2</sub>XC] ligands (X = C, P).","Dalton transactions (Cambridge, England : 2003)","2020","49","1","27","30","10.1039/c9dt03969d","","x-ray","0.71073","MoKα","","0.061","0.0433","","","0.0994","0.108","","","","","","1.025","","","","has coordinates","246384","2020-10-21","18:00:00",""
"7703121","11.9944","0.0002","13.2152","0.0002","17.0702","0.0003","79.141","0.001","80.483","0.001","84.749","0.001","2615.65","0.08","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H67 Cl N O2 P Ti -","- C59 H67 Cl N O2 P Ti -","- C118 H134 Cl2 N2 O4 P2 Ti2 -","2","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and structures of titanium complexes bearing tetradentate tripodal [O<sub>2</sub>XC] ligands (X = C, P).","Dalton transactions (Cambridge, England : 2003)","2020","49","1","27","30","10.1039/c9dt03969d","","x-ray","0.71073","MoKα","","0.0578","0.0407","","","0.0997","0.1083","","","","","","1.036","","","","has coordinates,has disorder","246384","2020-10-21","18:00:00",""
"7703122","10.208","0.002","10.769","0.002","14.485","0.003","111.348","0.005","90.21","0.005","97.478","0.005","1468.2","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 B F2 N4 O -","- C36 H25 B F2 N4 O -","- C72 H50 B2 F4 N8 O2 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.3119","0.1069","","","0.1635","0.2264","","","","","","1.008","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703123","9.1437","0.0002","14.2235","0.0003","24.9508","0.0005","90","","97.853","0.002","90","","3214.55","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 B Cl F2 N4 O -","- C37 H26 B Cl F2 N4 O -","- C148 H104 B4 Cl4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.108","0.0576","","","0.1463","0.1815","","","","","","1.026","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703124","9.6016","0.0003","25.7083","0.0006","12.6994","0.0003","90","","105.329","0.003","90","","3023.21","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 B Cl F2 N4 O -","- C36 H24 B Cl F2 N4 O -","- C144 H96 B4 Cl4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.0743","0.0602","","","0.1602","0.178","","","","","","1.017","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703125","9.5668","0.0007","13.2433","0.0009","13.9708","0.0009","104.534","0.002","103.397","0.002","104.401","0.002","1575.8","0.19","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H23 B Cl2 F2 N4 O -","- C36 H23 B Cl2 F2 N4 O -","- C72 H46 B2 Cl4 F4 N8 O2 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.0801","0.0485","","","0.1084","0.126","","","","","","1.007","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703126","8.7005","0.0006","12.9672","0.0011","11.9397","0.0011","90","","104.61","0.003","90","","1303.49","0.19","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetamide)-cobalt(ii) dithiocyanate.","","- C20 H36 Co N10 O4 S2 -","- C20 H36 Co N10 O4 S2 -","- C40 H72 Co2 N20 O8 S4 -","2","0.5","","Bond, Christopher J.; Cineus, Roy; Nazarenko, Alexander Y.; Spernyak, Joseph A.; Morrow, Janet R.","Isomeric Co(ii) paraCEST agents as pH responsive MRI probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","279","284","10.1039/c9dt04558a","","","0.71073","MoKα","","0.036","0.0293","","","0.0728","0.0765","","","","","","1.038","","","","has coordinates","246458","2020-10-21","18:00:00",""
"7703127","10.0766","0.0005","10.7225","0.0006","17.5231","0.0009","75.03","0.002","74.215","0.002","82.412","0.002","1756.18","0.16","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","(2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetamide)-cobalt(ii) tetrathiocyanatocobaltate trihydrate.","","- C22 H42 Co2 N12 O7 S4 -","- C22 H42 Co2 N12 O7 S4 -","- C44 H84 Co4 N24 O14 S8 -","2","1","","Bond, Christopher J.; Cineus, Roy; Nazarenko, Alexander Y.; Spernyak, Joseph A.; Morrow, Janet R.","Isomeric Co(ii) paraCEST agents as pH responsive MRI probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","279","284","10.1039/c9dt04558a","","","0.71073","MoKα","","0.0608","0.0333","","","0.0681","0.0775","","","","","","1.018","","","","has coordinates,has disorder","246458","2020-10-21","18:00:00",""
"7703128","8.8541","0.0006","9.9859","0.0008","17.8607","0.0014","92.863","0.002","103.261","0.002","111.451","0.002","1414.9","0.19","173","2","173","","","","","","","","","6","P -1","-P 1","2","","(2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetamide)-cobalt(ii) diperchlorate monohydrate","","- C18 H38 Cl2 Co N8 O13 -","- C18 H38 Cl2 Co N8 O13 -","- C36 H76 Cl4 Co2 N16 O26 -","2","1","","Bond, Christopher J.; Cineus, Roy; Nazarenko, Alexander Y.; Spernyak, Joseph A.; Morrow, Janet R.","Isomeric Co(ii) paraCEST agents as pH responsive MRI probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","279","284","10.1039/c9dt04558a","","","0.71073","MoKα","","0.0369","0.0308","","","0.0781","0.0816","","","","","","1.048","","","","has coordinates,has disorder","246458","2020-10-21","18:00:00",""
"7703129","13.155","0.0002","21.1155","0.0003","14.4734","0.0003","90","","98.271","0.0018","90","","3978.52","0.12","120","10","120","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Cl3 Cu3 N6 -","- C45 H30 Cl3 Cu3 N6 -","- C180 H120 Cl12 Cu12 N24 -","4","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.0397","0.0305","","","0.0606","0.0647","","","","","","1.023","","","","has coordinates","247718","2020-10-21","18:00:00",""
"7703130","29.0987","0.0005","16.5408","0.0004","19.3641","0.0004","90","","100.124","0.0018","90","","9175.1","0.3","120","14","120","14","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C95 H76 Cl6 Cu6 N12 O6 -","- C95 H76 Cl6 Cu6 N12 O6 -","- C380 H304 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0615","0.0566","","","0.144","0.1481","","","","","","1.038","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703131","10.0449","0.0002","15.1382","0.0005","23.2997","0.0008","77.698","0.003","83.79","0.002","80.707","0.003","3406.19","0.18","120","10","120","10","","","","","","","","5","P -1","-P 1","2","","","","- C63.75 H47.5 Cl11.5 Cu4 N8 -","- C63.75 H47.5 Cl11.5 Cu4 N8 -","- C127.5 H95 Cl23 Cu8 N16 -","2","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.08","0.0701","","","0.1731","0.1801","","","","","","1.083","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703132","29.0602","0.0006","16.4786","0.0006","19.3166","0.0004","90","","100.198","0.002","90","","9104","0.4","120","14","120","14","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C189 H150 Cl12 Cu12 N24 O12 -","- C189 H150 Cl12 Cu12 N24 O12 -","- C378 H300 Cl24 Cu24 N48 O24 -","2","0.25","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0627","0.0543","","","0.1253","0.1313","","","","","","1.037","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703133","29.0473","0.0009","16.4211","0.0007","19.2985","0.0007","90","","100.186","0.003","90","","9060.1","0.6","120","10","120","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C187 H146 Cl12 Cu12 N24 O12 -","- C187 H146 Cl12 Cu12 N24 O12 -","- C374 H292 Cl24 Cu24 N48 O24 -","2","0.25","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.0737","0.0545","","","0.1232","0.1358","","","","","","1.063","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703134","16.2557","0.0011","17.0114","0.0012","17.9429","0.0011","72.065","0.006","68.528","0.006","86.629","0.006","4384.9","0.6","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C77 H56 Cl5 Cu5 N10 O2 -","- C77 H56 Cl5 Cu5 N10 O2 -","- C154 H112 Cl10 Cu10 N20 O4 -","2","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.142","0.0914","","","0.2115","0.243","","","","","","1.02","","","","has coordinates","247718","2020-10-21","18:00:00",""
"7703135","29.1746","0.0006","16.6071","0.0004","19.2602","0.0004","90","","100.127","0.0019","90","","9186.3","0.4","120","10","120","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H78 Cl6 Cu6 N12 O6 -","- C96 H78 Cl6 Cu6 N12 O6 -","- C384 H312 Cl24 Cu24 N48 O24 -","4","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0567","0.0407","","","0.0889","0.0981","","","","","","1.023","","","","has coordinates","247718","2020-10-21","18:00:00",""
"7703136","29.0564","0.0007","16.4701","0.0004","19.3195","0.0004","90","","100.272","0.002","90","","9097.4","0.4","120","3","120","3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H74 Cl6 Cu6 N12 O6 -","- C94 H74 Cl6 Cu6 N12 O6 -","- C376 H296 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.0574","0.0451","","","0.1012","0.11","","","","","","1.04","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703137","29.0392","0.0008","16.339","0.0008","19.298","0.0006","90","","100.387","0.003","90","","9006.3","0.6","120","4","120","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H70 Cl6 Cu6 N12 O6 -","- C92 H70 Cl6 Cu6 N12 O6 -","- C368 H280 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.094","0.0763","","","0.1642","0.1755","","","","","","1.14","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703138","29.0762","0.0006","16.6019","0.0004","19.2306","0.0005","90","","100.045","0.002","90","","9140.7","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H78 Cl6 Cu6 N12 O6 -","- C96 H78 Cl6 Cu6 N12 O6 -","- C384 H312 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0482","0.0421","","","0.1038","0.1084","","","","","","1.03","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703139","7.6373","0.0004","8.8684","0.0006","12.822","0.0009","72.104","0.006","84.07","0.006","67.482","0.006","763.31","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 I3 N Pt -","- C8 H20 I3 N Pt -","- C16 H40 I6 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0528","0.0393","","","0.0735","0.0827","","","","","","0.992","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703140","28.7495","0.0004","21.2482","0.0003","15.7822","0.0002","90","","90","","90","","9641","0.2","100","3","100","3","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 I3 P Pt -","- C16 H36 I3 P Pt -","- C256 H576 I48 P16 Pt16 -","16","2","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0328","0.0233","","","0.0447","0.0472","","","","","","1.073","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703141","9.0752","0.0003","14.0688","0.0003","20.5122","0.0004","103.355","0.002","95.542","0.002","97.711","0.002","2502.88","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 F6 I12 N2 Pt2 -","- C28 H40 F6 I12 N2 Pt2 -","- C56 H80 F12 I24 N4 Pt4 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0335","0.0294","","","0.0591","0.0614","","","","","","1.059","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703142","9.6718","0.0003","10.0466","0.0003","14.9176","0.0003","78.523","0.002","82.57","0.002","65.606","0.003","1291.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I3 P Pt -","- C25 H22 I3 P Pt -","- C50 H44 I6 P2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","1.54184","CuKα","","0.0295","0.0262","","","0.0669","0.0689","","","","","","1.011","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703143","10.6311","0.0003","11.7665","0.0003","22.271","0.0005","84.641","0.002","87.252","0.002","89.297","0.002","2770.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 I10 P2 Pt2 -","- C34 H72 I10 P2 Pt2 -","- C68 H144 I20 P4 Pt4 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0296","0.0235","","","0.046","0.0479","","","","","","1.071","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703144","9.4019","0.0003","9.4572","0.0005","18.495","0.0007","81.698","0.004","85.055","0.003","77.612","0.003","1586.78","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F4 I5 N Pt -","- C22 H36 F4 I5 N Pt -","- C44 H72 F8 I10 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","","0.71073","MoKα","","0.031","0.0254","","","0.047","0.0492","","","","","","1.036","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703145","7.4631","0.0003","8.8084","0.0003","19.7624","0.0007","84.162","0.003","80.035","0.003","67.019","0.003","1177.15","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 F5 I4 N Pt -","- C14 H20 F5 I4 N Pt -","- C28 H40 F10 I8 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","","0.71073","MoKα","","0.0291","0.0276","","","0.0703","0.0713","","","","","","1.091","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703146","12.8781","0.0002","14.4085","0.0002","13.9717","0.0003","90","","106.717","0.002","90","","2482.94","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I3 P Pt -","- C24 H20 I3 P Pt -","- C96 H80 I12 P4 Pt4 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","","0.71073","MoKα","","0.0256","0.0207","","","0.0405","0.0417","","","","","","1.072","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703147","10.812","0.002","21.943","0.004","30.221","0.006","90","","90","","90","","7170","2","100","2","100","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C30 H30 Cl8 N20 O20.5 Th2 -","- C30 H30 Cl8 N20 O20.5 Th2 -","- C120 H120 Cl32 N80 O82 Th8 -","4","0.25","","Zhang, Yingjie; Lu, Kimbal; Liu, Ming; Karatchevtseva, Inna; Tao, Zhu; Wei, Gang","Thorium(iv) and uranium(vi) compounds of cucurbit[10]uril: from a one-dimensional nanotube to a supramolecular framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","404","410","10.1039/c9dt04299g","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.063","0.0578","","","0.1766","0.1821","","","","","","1.049","","","","has coordinates","246461","2020-10-21","18:00:00",""
"7703148","17.212","0.003","19.456","0.004","21.391","0.004","66.03","0.03","86.24","0.03","72.18","0.03","6217","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cl2.5 N20 O16 U -","- C30 H35 Cl2.5 N20 O16 U -","- C120 H140 Cl10 N80 O64 U4 -","4","2","","Zhang, Yingjie; Lu, Kimbal; Liu, Ming; Karatchevtseva, Inna; Tao, Zhu; Wei, Gang","Thorium(iv) and uranium(vi) compounds of cucurbit[10]uril: from a one-dimensional nanotube to a supramolecular framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","404","410","10.1039/c9dt04299g","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.1206","0.1056","","","0.3066","0.3225","","","","","","1.052","","","","has coordinates","246461","2020-10-21","18:00:00",""
"7703149","17.2009","0.0018","14.259","0.0014","26.185","0.003","90","","127.852","0.002","90","","5071.1","0.9","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cu5 Fe2 Gd N22 Na O18 -","- C20 H32 Cu5 Fe2 Gd N22 Na O18 -","- C80 H128 Cu20 Fe8 Gd4 N88 Na4 O72 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.1346","0.0771","","","0.1333","0.1458","","","","","","0.949","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703150","17.3041","0.0015","14.277","0.0012","26.341","0.002","90","","127.923","0.003","90","","5133.4","0.8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Cu5 Fe2 Ho N22 Na O21 -","- C20 H38 Cu5 Fe2 Ho N22 Na O21 -","- C80 H152 Cu20 Fe8 Ho4 N88 Na4 O84 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0951","0.048","","","0.0787","0.0862","","","","","","1.001","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703151","10.4494","0.0004","13.3443","0.0007","16.2694","0.0007","72.74","0.004","86.532","0.003","74.166","0.004","2083.72","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H72 Cu10 Fe2 N34 Nd2 O52 -","- C30 H72 Cu10 Fe2 N34 Nd2 O52 -","- C30 H72 Cu10 Fe2 N34 Nd2 O52 -","1","0.5","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0884","0.0558","","","0.1182","0.1402","","","","","","1.041","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703152","16.9804","0.0007","14.2037","0.0005","20.7567","0.001","90","","93.464","0.004","90","","4997","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cu5 Fe2 N22 Na O22 Sm -","- C20 H40 Cu5 Fe2 N22 Na O22 Sm -","- C80 H160 Cu20 Fe8 N88 Na4 O88 Sm4 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","1.54184","CuKα","","0.0927","0.0634","","","0.1497","0.1713","","","","","","1.031","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703153","10.5279","0.0008","13.3813","0.0011","16.3388","0.0013","73.408","0.001","86.798","0.002","73.741","0.001","2117","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H72 Cu10 Fe2 N34 O52 Pr2 -","- C30 H72 Cu10 Fe2 N34 O52 Pr2 -","- C30 H72 Cu10 Fe2 N34 O52 Pr2 -","1","0.5","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0775","0.0471","","","0.1149","0.1332","","","","","","1.047","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703154","10.4309","0.0011","13.2702","0.0015","16.2883","0.0013","72.7","0.008","86.548","0.007","74.311","0.009","2071.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H72 Cu10 Fe2 La2 N34 O52 -","- C30 H72 Cu10 Fe2 La2 N34 O52 -","- C30 H72 Cu10 Fe2 La2 N34 O52 -","1","0.5","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0739","0.0519","","","0.1328","0.1533","","","","","","1.104","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703155","17.0246","0.0007","14.1494","0.0007","20.7518","0.0008","90","","93.332","0.003","90","","4990.4","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cu5 Fe2 N22 Na O22 Tb -","- C20 H40 Cu5 Fe2 N22 Na O22 Tb -","- C80 H160 Cu20 Fe8 N88 Na4 O88 Tb4 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","1.54184","CuKα","","0.1017","0.0747","","","0.1874","0.2118","","","","","","1.024","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703157","7.3254","0.0007","12.5221","0.0013","19.344","0.0019","90","","100.786","0.004","90","","1743.1","0.3","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16.44 N19 O6.72 -","- C5 H16.444 N19 O6.722 -","- C20 H65.776 N76 O26.888 -","4","1","","Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang","A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","368","374","10.1039/c9dt03829a","","","0.71073","MoKα","","0.0799","0.0516","","","0.1199","0.1378","","","","","","1.016","","","","has coordinates,has disorder","246463","2020-10-21","18:00:00",""
"7703158","6.7723","0.0003","13.1291","0.0005","18.8628","0.0008","85.471","0.003","80.793","0.004","82.3","0.003","1637.8","0.12","189.7","1","189.7","1","","","","","","","","4","P -1","-P 1","2","","","","- C5 H15 N17 O7 -","- C5 H15 N17 O7 -","- C20 H60 N68 O28 -","4","2","","Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang","A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","368","374","10.1039/c9dt03829a","","x-ray","1.54184","CuKα","","0.0416","0.0363","","","0.0949","0.0989","","","","","","1.036","","","","has coordinates,has disorder","246463","2020-10-21","18:00:00",""
"7703159","7.6291","0.0002","13.4799","0.0003","17.4739","0.0004","90","","98.389","0.002","90","","1777.78","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H17 N21 O6 -","- C5 H17 N21 O6 -","- C20 H68 N84 O24 -","4","1","","Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang","A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","368","374","10.1039/c9dt03829a","","x-ray","1.54184","CuKα","","0.0504","0.042","","","0.1069","0.1136","","","","","","1.067","","","","has coordinates,has disorder","246463","2020-10-21","18:00:00",""
"7703160","10.056","0.002","21.013","0.005","30.488","0.007","90","","97.053","0.007","90","","6394","2","205","2","205","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H8 N2 O4 Zn -","- C24 H8 N2 O4 Zn -","- C192 H64 N16 O32 Zn8 -","8","1","","Ye, Yu; Du, Jianfeng; Sun, Libo; Liu, Yuchuan; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Two zinc metal-organic framework isomers based on pyrazine tetracarboxylic acid and dipyridinylbenzene for adsorption and separation of CO<sub>2</sub> and light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1135","1142","10.1039/c9dt04305e","","","0.71073","MoKα","","0.1224","0.0895","","","0.2488","0.2647","","","","","","1.014","","","","has coordinates","247714","2020-10-21","18:00:00",""
"7703161","11.6989","0.0003","15.373","0.0004","18.3406","0.0006","90","","90","","90","","3298.51","0.16","300","2","300","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C13.5 H N O2 Zn0.5 -","- C13.5 H N O2 Zn0.5 -","- C108 H8 N8 O16 Zn4 -","8","1","","Ye, Yu; Du, Jianfeng; Sun, Libo; Liu, Yuchuan; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Two zinc metal-organic framework isomers based on pyrazine tetracarboxylic acid and dipyridinylbenzene for adsorption and separation of CO<sub>2</sub> and light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1135","1142","10.1039/c9dt04305e","","","0.71073","MoKα","","0.0553","0.0491","","","0.1609","0.1687","","","","","","1.128","","","","has coordinates","247714","2020-10-21","18:00:00",""
"7703162","8.9297","0.0003","13.0206","0.0004","16.7334","0.0005","102.136","0.002","99.903","0.002","103.182","0.002","1801.89","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 N3 O4 P2 W -","- C42 H29 N3 O4 P2 W -","- C84 H58 N6 O8 P4 W2 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0275","0.0234","","","0.0526","0.0537","","","","","","1.032","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703163","11.9846","0.0004","17.046","0.0006","17.7261","0.0005","111.601","0.003","93.453","0.003","110.334","0.003","3082.7","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N3 P2 -","- C38 H29 N3 P2 -","- C152 H116 N12 P8 -","4","2","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.1433","0.0773","","","0.1793","0.232","","","","","","1.04","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703164","11.5113","0.0003","13.1944","0.0005","25.2877","0.0008","90","","103.149","0.003","90","","3740.1","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 Cl4 N3 P2 Pt -","- C39 H29 Cl4 N3 P2 Pt -","- C156 H116 Cl16 N12 P8 Pt4 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0875","0.0566","","","0.1051","0.1271","","","","","","1.066","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703165","11.513","0.0002","13.1004","0.0002","25.296","0.0004","90","","103.16","0.001","90","","3715.07","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 Cl4 N3 P2 Pd -","- C38.9997 H30.9994 Cl3.9994 N3 P2 Pd -","- C155.999 H123.998 Cl15.9976 N12 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0263","0.0242","","","0.0603","0.0615","","","","","","1.047","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703166","19.0043","0.0006","10.0057","0.0003","19.8886","0.0006","90","","107.908","0.003","90","","3598.6","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 Cl4 N3 P2 Pd -","- C39 H29 Cl4 N3 P2 Pd -","- C156 H116 Cl16 N12 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0723","0.0664","","","0.1573","0.1607","","","","","","1.136","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703167","8.8012","0.0003","16.0063","0.0007","16.2933","0.0007","110.228","0.004","102.707","0.004","105.324","0.004","1950.38","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Mo N4 O4 P2 -","- C44 H32 Mo N4 O4 P2 -","- C88 H64 Mo2 N8 O8 P4 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.149","0.0823","","","0.1336","0.1626","","","","","","1.026","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703168","10.9318","0.0001","12.024","0.0002","17.6156","0.0003","94.881","0.001","106.274","0.001","101.064","0.001","2157.55","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H33 Cl4 N3 O4 P2 W -","- C44 H33 Cl4 N3 O4 P2 W -","- C88 H66 Cl8 N6 O8 P4 W2 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0339","0.0294","","","0.0635","0.0657","","","","","","1.034","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703169","10.05434","0.00014","11.14458","0.00016","22.0783","0.0003","87.1739","0.0012","81.6515","0.0012","71.6855","0.0013","2323.69","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl N3 Ni P2 -","- C56 H46 Cl N3 Ni P2 -","- C112 H92 Cl2 N6 Ni2 P4 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0404","0.0347","","","0.0915","0.095","","","","","","1.038","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703170","11.9547","0.0005","10.9927","0.0004","23.6721","0.001","90","","93.244","0.004","90","","3105.9","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 N3 P2 -","- C38 H29 N3 P2 -","- C152 H116 N12 P8 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.1192","0.0652","","","0.1276","0.1615","","","","","","1.045","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703171","10.27","0.0004","12.3139","0.0005","13.2062","0.0005","85.921","0.003","80.35","0.003","74.358","0.003","1584.91","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 N3 O P2 Rh -","- C39 H28 N3 O P2 Rh -","- C78 H56 N6 O2 P4 Rh2 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0604","0.0435","","","0.0951","0.1048","","","","","","1.054","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703172","13.9968","0.0008","19.0202","0.0009","17.4142","0.0008","90","","110.22","0.006","90","","4350.3","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H29 Mo N3 O4 P2 -","- C42 H29 Mo N3 O4 P2 -","- C168 H116 Mo4 N12 O16 P8 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.1534","0.0935","","","0.1717","0.1943","","","","","","1.077","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703173","36.6408","0.0018","22.3598","0.0009","22.75","0.002","90","","90","","90","","18639","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C60 H78 Cl2 Co14 Mo24 N24 O82 -","- C60 H78 Cl2 Co14 Mo24 N24 O82 -","- C240 H312 Cl8 Co56 Mo96 N96 O328 -","4","0.5","","Li, Hai-Ye; Pang, Hua-Yu; Yao, Peng-Fei; Huang, Fu-Ping; Bian, He-Dong; Liang, Fu-Pei","A novel sandwich shaped {CoCoMo} cluster with a Co triangle encapsulated in two capped Co<sup>III</sup>CoMoO<sub>40</sub> fragments.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1375","1379","10.1039/c9dt04459k","","","0.7107","MoKα","","0.0815","0.0549","","","0.1481","0.1601","","","","","","1.033","","","","has coordinates","248940","2020-10-21","18:00:00",""
"7703174","13.298","0.005","8.437","0.0032","8.9932","0.0032","90","","104.246","0.012","90","","978","0.6","298","","298","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","iron(II) pyprophosphate","","- Fe2 O7 P2 -","- Fe2 O7 P2 -","- Fe16 O56 P16 -","8","","","Salcedo, Inés R; Bazaga-García, Montse; Cuesta, Ana; Losilla, Enrique R.; Demadis, Konstantinos D.; Olivera-Pastor, Pascual; Colodrero, Rosario M. P.; Cabeza, Aurelio","NH<sub>3</sub>/H<sub>2</sub>O-mediated proton conductivity and photocatalytic behaviour of Fe(ii)-hydroxyphosphonoacetate and M(ii)-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","3981","3988","10.1039/c9dt04210e","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.01844","","1.57","","","","","","","has coordinates","250291","2020-10-21","18:00:00",""
"7703175","7.312","0.003","12.672","0.005","11.528","0.004","90","","98.869","0.005","90","","1055.4","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 S6 -","- Cd Ge2 Na2 S6 -","- Cd4 Ge8 Na8 S24 -","4","1","","Li, Guang-Mao; Chu, Yu; Li, Jun; Zhou, Zhong-Xiang","Li<sub>2</sub>CdSiS<sub>4</sub>, a promising IR NLO material with a balanced E<sub>g</sub> and SHG response originating from the effect of Cd with d<sup>10</sup> configuration.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1975","1980","10.1039/c9dt04710g","","","0.71073","MoKα","","0.0266","0.0238","","","0.0449","0.0461","","","","","","0.983","","","","has coordinates","248947","2020-10-21","18:00:00",""
"7703176","9.4267","0.0012","11.4325","0.0011","12.245","0.001","112.482","0.009","95.143","0.01","92.239","0.009","1210.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 F12 Li2 O8 -","- C16 H18 F12 Li2 O8 -","- C32 H36 F24 Li4 O16 -","2","1","","Peddagopu, Nishant; Rossi, Patrizia; Bonaccorso, Carmela; Bartasyte, Ausrine; Paoli, Paola; Malandrino, Graziella","Facile synthesis of novel lithium β-diketonate glyme adducts: the effect of molecular engineering on the thermal properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1002","1006","10.1039/c9dt04732h","","","1.54184","CuKα","","0.1448","0.0972","","","0.258","0.3398","","","","","","1.085","","","","has coordinates,has disorder","247710","2020-10-21","18:00:00",""
"7703177","17.93","0.001","9.2458","0.0005","30.375","0.002","90","","103.158","0.003","90","","4903.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H15 F36 Li6 O15 -","- C32 H15 F36 Li6 O15 -","- C128 H60 F144 Li24 O60 -","4","1","","Peddagopu, Nishant; Rossi, Patrizia; Bonaccorso, Carmela; Bartasyte, Ausrine; Paoli, Paola; Malandrino, Graziella","Facile synthesis of novel lithium β-diketonate glyme adducts: the effect of molecular engineering on the thermal properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1002","1006","10.1039/c9dt04732h","","","1.54184","CuKα","","0.0722","0.0605","","","0.1418","0.1561","","","","","","1.04","","","","has coordinates,has disorder","247710","2020-10-21","18:00:00",""
"7703178","13.2433","0.0004","17.5048","0.0004","17.494","0.0005","90","","102.056","0.001","90","","3966.03","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B Fe P -","- C24 H22 B Fe P -","- C192 H176 B8 Fe8 P8 -","8","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0367","0.0294","","","0.0776","0.0827","","","","","","1.039","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703179","9.7275","0.0002","19.8","0.0004","18.224","0.0004","90","","96.83","0.001","90","","3485.12","0.13","195","2","195","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 Cl4 Fe N3 P Pd -","- C35 H34 Cl4 Fe N3 P Pd -","- C140 H136 Cl16 Fe4 N12 P4 Pd4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.049","0.0395","","","0.0984","0.1038","","","","","","1.034","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703180","13.9518","0.001","14.5496","0.001","15.0527","0.0011","74.464","0.003","69.985","0.002","69.558","0.002","2651.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 B Fe N3 P -","- C31 H29 B Fe N3 P -","- C124 H116 B4 Fe4 N12 P4 -","4","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0363","0.0287","","","0.0714","0.0755","","","","","","1.028","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703181","10.7291","0.0004","16.93","0.0007","11.1841","0.0004","90","","106.904","0.002","90","","1943.75","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Fe P -","- C25 H21 Fe P -","- C100 H84 Fe4 P4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0355","0.028","","","0.0672","0.0703","","","","","","1.046","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703182","10.8315","0.0004","11.6962","0.0003","13.5466","0.0004","70.684","0.001","75.612","0.001","66.996","0.001","1476.68","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H31 B F4 Fe N3 O0.5 P -","- C32 H29 B F4 Fe N3 P -","- C64 H58 B2 F8 Fe2 N6 P2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0366","0.0347","","","0.0877","0.0891","","","","","","1.048","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703183","9.2664","0.0003","10.9013","0.0004","11.7032","0.0004","100.537","0.001","102.136","0.001","90.509","0.001","1134.92","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 F6 Fe O P Sb -","- C24 H20 F6 Fe O P Sb -","- C48 H40 F12 Fe2 O2 P2 Sb2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0263","0.0225","","","0.0522","0.0538","","","","","","1.061","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703184","13.8591","0.0005","14.5835","0.0005","15.1414","0.0006","73.952","0.001","69.759","0.001","69.491","0.001","2647.02","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 B Fe N3 P -","- C31 H29 B Fe N3 P -","- C124 H116 B4 Fe4 N12 P4 -","4","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0373","0.0291","","","0.0723","0.0765","","","","","","1.02","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703185","17.8679","0.0006","18.4029","0.0007","20.6479","0.0008","90","","108.503","0.002","90","","6438.5","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cl4 Fe N3 P Pd -","- C33 H30 Cl4 Fe N3 P Pd -","- C264 H240 Cl32 Fe8 N24 P8 Pd8 -","8","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0491","0.0314","","","0.0648","0.0708","","","","","","1.024","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703186","13.343","0.0005","17.5042","0.0007","34.2142","0.0015","90","","100.577","0.001","90","","7855.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 B Fe O P -","- C23 H22 B Fe O P -","- C368 H352 B16 Fe16 O16 P16 -","16","4","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0719","0.0443","","","0.0949","0.1046","","","","","","1.069","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703187","11.2428","0.0003","18.9899","0.0005","17.6975","0.0005","90","","103.776","0.001","90","","3669.72","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl6 Fe N3 P Pd -","- C36 H36 Cl6 Fe N3 P Pd -","- C144 H144 Cl24 Fe4 N12 P4 Pd4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0349","0.0307","","","0.0784","0.0809","","","","","","1.035","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703188","9.4279","0.0003","13.8649","0.0005","29.8131","0.001","90","","94.786","0.002","90","","3883.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Cl8 Fe N3 P Pd -","- C35 H34 Cl8 Fe N3 P Pd -","- C140 H136 Cl32 Fe4 N12 P4 Pd4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0496","0.0393","","","0.0936","0.0984","","","","","","1.024","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703189","9.1285","0.0004","12.2213","0.0005","14.4803","0.0005","67.534","0.001","78.595","0.002","86.467","0.002","1463.2","0.1","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd -","- C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd -","- C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd -","1","0.5","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","1.54178","CuKα","","0.0578","0.0449","","","0.1186","0.1262","","","","","","1.039","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703190","12.7439","0.0006","13.7121","0.0007","14.1452","0.0007","74.101","0.002","72.724","0.002","82.338","0.002","2266.4","0.2","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H64 B2 Cl22 F8 Fe2 N6 P2 Pd2 -","- C64 H58 B2 Cl4 F8 Fe2 N6 P2 Pd2 -","- C64 H58 B2 Cl4 F8 Fe2 N6 P2 Pd2 -","1","0.5","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0303","0.0256","","","0.0623","0.0644","","","","","","1.035","","","","has coordinates,has disorder","247708","2020-10-21","18:00:00",""
"7703191","10.6351","0.0004","20.9593","0.0007","14.0487","0.0005","90","","93.734","0.002","90","","3124.87","0.19","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd -","- C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd -","- C132 H122 B4 Cl4 F16 Fe4 N14 P4 Pd2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.028","0.0235","","","0.0508","0.0523","","","","","","1.005","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703192","12.1884","0.0006","12.2187","0.0006","21.4381","0.001","95.293","0.002","104.82","0.002","105.068","0.002","2937","0.3","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H65 Au B Cl3 F4 Fe N5 P -","- C60 H65 Au B Cl3 F4 Fe N5 P -","- C120 H130 Au2 B2 Cl6 F8 Fe2 N10 P2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0192","0.0182","","","0.0449","0.0455","","","","","","1.058","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703193","11.8756","0.0006","13.1567","0.0006","20.6753","0.001","105.834","0.002","99.915","0.002","101.336","0.002","2958.6","0.3","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C120 H132 Au2 B2 Cl6 F8 Fe2 N10 P2 Pd -","- C118 H128 Au2 B2 Cl2 F8 Fe2 N10 P2 Pd -","- C118 H128 Au2 B2 Cl2 F8 Fe2 N10 P2 Pd -","1","0.5","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0405","0.0331","","","0.0689","0.0725","","","","","","1.064","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703194","7.933","0.0004","9.2516","0.0004","13.6133","0.0008","72.501","0.005","80.034","0.004","68.63","0.004","885.1","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H25 Au N5 P S -","- C12 H25 Au N5 P S -","- C24 H50 Au2 N10 P2 S2 -","2","1","","Abas, Elisa; Pena-Martinez, Raquel; Aguirre-Ramírez, Diego; Rodriguez-Dieguez, Antonio; Laguna, Mariano; Grasa, Laura","New selective thiolate gold(i) complexes inhibit the proliferation of different human cancer cells and induce apoptosis in primary cultures of mouse colon tumors.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1915","1927","10.1039/c9dt04423j","","","0.71073","MoKα","","0.0428","0.0336","","","0.0653","0.0697","","","","","","1.04","","","","has coordinates","248952","2020-10-21","18:00:00",""
"7703195","7.7454","0.0002","13.1136","0.0003","18.2077","0.0005","90","","107.215","0.002","90","","1766.51","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 Au4 N16 P4 S8 -","- C52 H88 Au4 N16 P4 S8 -","- C52 H88 Au4 N16 P4 S8 -","1","0.25","","Abas, Elisa; Pena-Martinez, Raquel; Aguirre-Ramírez, Diego; Rodriguez-Dieguez, Antonio; Laguna, Mariano; Grasa, Laura","New selective thiolate gold(i) complexes inhibit the proliferation of different human cancer cells and induce apoptosis in primary cultures of mouse colon tumors.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1915","1927","10.1039/c9dt04423j","","","0.71073","MoKα","","0.0308","0.0268","","","0.0569","0.0588","","","","","","1.094","","","","has coordinates","248952","2020-10-21","18:00:00",""
"7703196","8.9949","0.0003","13.4322","0.0003","22.2195","0.0005","90","","90","","90","","2684.59","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0184","0.018","","","0.0414","0.0415","","","","","","1.061","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703197","9.2119","0.0003","13.8148","0.0004","21.0387","0.0007","90","","90","","90","","2677.4","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0468","0.0392","","","0.0801","0.0842","","","","","","1.073","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703198","9.1501","0.0002","13.7683","0.0003","21.2469","0.0006","90","","90","","90","","2676.71","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0332","0.0311","","","0.0657","0.0666","","","","","","1.127","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703199","9.1016","0.0002","13.721","0.0002","21.3715","0.0005","90","","90","","90","","2668.94","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0226","0.0219","","","0.0486","0.0488","","","","","","1.099","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703200","9.0828","0.0003","13.5665","0.0006","21.9449","0.0007","90","","90","","90","","2704.09","0.17","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0496","0.0425","","","0.0904","0.0944","","","","","","1.088","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703201","9.0371","0.0002","13.4875","0.0003","22.1334","0.0006","90","","90","","90","","2697.79","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0336","0.0293","","","0.0577","0.0597","","","","","","1.117","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703202","9.1982","0.0003","13.8073","0.0004","21.0754","0.0007","90","","90","","90","","2676.62","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0394","0.034","","","0.074","0.0768","","","","","","1.066","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703203","9.1902","0.0003","13.7947","0.0004","21.1368","0.0006","90","","90","","90","","2679.64","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0342","0.0312","","","0.0654","0.0669","","","","","","1.085","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703204","9.0217","0.0003","13.4571","0.0004","22.167","0.0007","90","","90","","90","","2691.21","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0368","0.0326","","","0.0647","0.0663","","","","","","1.083","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703205","9.1085","0.0002","13.6961","0.0004","22.0657","0.0006","90","","90","","90","","2752.72","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0244","0.0214","","","0.0473","0.0485","","","","","","1.075","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703206","9.0023","0.0003","13.4423","0.0004","22.2172","0.0006","90","","90","","90","","2688.54","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0415","0.0317","","","0.0614","0.0664","","","","","","1.1","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703207","9.0125","0.0002","13.4564","0.0004","22.2004","0.0006","90","","90","","90","","2692.37","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0309","0.0269","","","0.0571","0.0591","","","","","","1.085","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703208","9.1411","0.0002","13.7205","0.0004","22.0086","0.0007","90","","90","","90","","2760.33","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0366","0.0333","","","0.0733","0.0745","","","","","","1.176","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703209","9.1896","0.0002","13.771","0.0005","21.9398","0.0007","90","","90","","90","","2776.48","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0343","0.0291","","","0.0614","0.0635","","","","","","1.065","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703210","9.1362","0.0003","13.7345","0.0005","22.0425","0.0006","90","","90","","90","","2765.92","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0335","0.0292","","","0.0686","0.0707","","","","","","1.052","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703211","9.1909","0.0002","13.7781","0.0005","21.9247","0.0008","90","","90","","90","","2776.39","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0344","0.029","","","0.0635","0.0659","","","","","","1.049","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703212","8.9898","0.0003","13.4342","0.0004","22.225","0.0007","90","","90","","90","","2684.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0371","0.0359","","","0.0872","0.0876","","","","","","1.163","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703213","9.1889","0.0002","13.7799","0.0005","21.9332","0.0008","90","","90","","90","","2777.23","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0353","0.0295","","","0.0634","0.0658","","","","","","1.063","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703214","9.1109","0.0003","13.6934","0.0004","22.0688","0.0008","90","","90","","90","","2753.29","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0325","0.0282","","","0.068","0.07","","","","","","1.078","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703215","9.104","0.0003","13.6965","0.0005","22.0624","0.0008","90","","90","","90","","2751.03","0.17","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0265","0.0233","","","0.0518","0.0529","","","","","","1.032","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703216","9.1076","0.0004","13.7017","0.0005","22.0801","0.0008","90","","90","","90","","2755.37","0.19","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0285","0.0247","","","0.0563","0.0579","","","","","","1.04","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703217","9.1739","0.0003","13.7586","0.0005","21.956","0.0008","90","","90","","90","","2771.29","0.17","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0371","0.0317","","","0.0732","0.0758","","","","","","1.047","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703218","9.1319","0.0004","13.7198","0.0007","22.0525","0.0014","90","","90","","90","","2762.9","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0435","0.0372","","","0.0811","0.0835","","","","","","1.072","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703219","9.107","0.0003","13.7339","0.0004","21.3545","0.0006","90","","90","","90","","2670.91","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0334","0.0309","","","0.0715","0.0727","","","","","","1.049","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703220","9.1279","0.0004","13.7226","0.0006","22.0317","0.001","90","","90","","90","","2759.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0438","0.0383","","","0.0997","0.1024","","","","","","1.039","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703221","9.1186","0.0002","13.7072","0.0004","22.0615","0.0007","90","","90","","90","","2757.48","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0361","0.0319","","","0.0782","0.0804","","","","","","1.069","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703222","6.6777","0.001","7.7245","0.0011","14.17","0.002","83.442","0.003","89.351","0.003","67.197","0.003","668.95","0.17","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 B10 O -","- C9 H16 B10 O -","- C18 H32 B20 O2 -","2","1","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.1194","0.0569","","","0.1326","0.166","","","","","","1.0572","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703223","6.7025","0.0007","9.3292","0.001","13.3822","0.0014","90","","92.85","0.002","90","","835.74","0.15","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H22 B10 O -","- C12 H22 B10 O -","- C24 H44 B20 O2 -","2","0.5","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0587","0.0494","","","0.1399","0.1472","","","","","","1.076","","","","has coordinates,has disorder","248937","2020-10-21","18:00:00",""
"7703224","10.1038","0.0014","10.5666","0.0015","26.989","0.004","90","","95.92","0.002","90","","2866.1","0.7","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 B10 O2 -","- C9 H16 B10 O2 -","- C72 H128 B80 O16 -","8","2","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0845","0.055","","","0.1441","0.1626","","","","","","1.0194","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703225","12.8648","0.0012","7.0291","0.0007","14.895","0.0014","90","","90.789","0.002","90","","1346.8","0.2","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 B10 O -","- C9 H16 B10 O -","- C36 H64 B40 O4 -","4","1","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0519","0.0435","","","0.1266","0.1348","","","","","","1.051","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703226","6.6814","0.0007","20.124","0.002","9.4317","0.001","90","","92.779","0.002","90","","1266.7","0.2","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 B10 F O -","- C8 H13 B10 F O -","- C32 H52 B40 F4 O4 -","4","1","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0636","0.0455","","","0.1202","0.1346","","","","","","1.0465","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703251","12.1001","0.0002","13.0329","0.0002","25.4723","0.0004","90","","93.654","0.001","90","","4008.8","0.11","213","0.02","213","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N4 O4 -","- C50 H40 N4 O4 -","- C200 H160 N16 O16 -","4","1","","Wang, Ning; Zhang, Junying; Xu, Xing-Dong; Feng, Shengyu","Turn-on fluorescence in a pyridine-decorated tetraphenylethylene: the cooperative effect of coordination-driven rigidification and silver ion induced aggregation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1883","1890","10.1039/c9dt03985f","","x-ray","1.54184","CuKα","","0.0522","0.0389","","","0.0953","0.1051","","","","","","1.031","","","","has coordinates","248956","2020-10-21","18:00:00",""
"7703252","10.17488","0.0001","36.4687","0.0005","15.21799","0.00016","90","","93.2503","0.0009","90","","5637.77","0.11","173","0.02","173","0.02","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Ag2 Cl4 F6 N4 O10 S2 -","- C54 H44 Ag2 Cl4 F6 N4 O10 S2 -","- C216 H176 Ag8 Cl16 F24 N16 O40 S8 -","4","1","","Wang, Ning; Zhang, Junying; Xu, Xing-Dong; Feng, Shengyu","Turn-on fluorescence in a pyridine-decorated tetraphenylethylene: the cooperative effect of coordination-driven rigidification and silver ion induced aggregation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1883","1890","10.1039/c9dt03985f","","x-ray","1.54184","CuKα","","0.084","0.0564","","","0.1316","0.1534","","","","","","1.093","","","","has coordinates","248956","2020-10-21","18:00:00",""
"7703253","15.1288","0.0003","14.0651","0.0003","29.2057","0.0004","90","","95.672","0.002","90","","6184.2","0.2","173","0.02","173","0.02","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H44 Ag4 F12 N4 O18 S4 -","- C54 H44 Ag4 F12 N4 O18 S4 -","- C216 H176 Ag16 F48 N16 O72 S16 -","4","0.5","","Wang, Ning; Zhang, Junying; Xu, Xing-Dong; Feng, Shengyu","Turn-on fluorescence in a pyridine-decorated tetraphenylethylene: the cooperative effect of coordination-driven rigidification and silver ion induced aggregation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1883","1890","10.1039/c9dt03985f","","x-ray","1.54184","CuKα","","0.0437","0.0367","","","0.0903","0.0985","","","","","","1.038","","","","has coordinates","248956","2020-10-21","18:00:00",""
"7703254","9.9882","0.0004","8.155","0.0003","34.8663","0.0009","90","","97.262","0.003","90","","2817.21","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H56 Mo2 O8 P4 -","- C60 H56 Mo2 O8 P4 -","- C120 H112 Mo4 O16 P8 -","2","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0385","0.0294","","","0.0677","0.0709","","","","","","0.96","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703255","16.7915","0.0004","18.7734","0.0005","19.3826","0.0005","115.497","0.002","92.1","0.002","110.887","0.002","5019.9","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H84 Au4 F20 Mo2 O11.5 P4 -","- C98 H84 Au4 F20 Mo2 O11.5 P4 -","- C196 H168 Au8 F40 Mo4 O23 P8 -","2","1","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0709","0.056","","","0.148","0.1579","","","","","","1.015","","","","has coordinates,has disorder","248934","2020-10-21","18:00:00",""
"7703256","11.4314","0.001","17.3797","0.0013","17.3723","0.0016","91.633","0.007","100.343","0.007","102.881","0.006","3301.4","0.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H130 Cl26 Mo2 O8 P4 Ru4 -","- C106 H124 Cl20 Mo2 O8 P4 Ru4 -","- C106 H124 Cl20 Mo2 O8 P4 Ru4 -","1","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.1406","0.0931","","","0.2392","0.2821","","","","","","1.033","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703257","10.8365","0.0003","16.7623","0.0005","20.7559","0.0006","105.261","0.002","102.501","0.002","104.496","0.002","3356.71","0.18","210","","210","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H160 Cl4 Ir4 Mo2 O15 P4 -","- C108 H136 Cl4 Ir4 Mo2 O12 P4 -","- C108 H136 Cl4 Ir4 Mo2 O12 P4 -","1","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0487","0.0365","","","0.1037","0.112","","","","","","1.037","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703258","21.6562","0.0007","18.6547","0.0007","24.8118","0.0007","90","","90","","90","","10023.7","0.6","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C84 H104 Au4 Cl4 Mo2 O14 P4 -","- C68 H72 Au4 Cl4 Mo2 O10 P4 -","- C272 H288 Au16 Cl16 Mo8 O40 P16 -","4","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.1423","0.0737","","","0.1819","0.2283","","","","","","1.004","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703259","10.8868","0.0005","16.6804","0.0009","20.7303","0.0011","105.13","0.004","102.169","0.004","104.645","0.004","3358","0.3","210","","210","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H160 Cl4 Mo2 O15 P4 Rh4 -","- C104 H128 Cl4 Mo2 O11 P4 Rh4 -","- C104 H128 Cl4 Mo2 O11 P4 Rh4 -","1","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0797","0.0595","","","0.1703","0.1868","","","","","","1.015","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703260","17.918","0.005","13.341","0.005","19.445","0.005","90","","117.054","0.005","90","","4140","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 P2 Si2 -","- C52 H48 P2 Si2 -","- C208 H192 P8 Si8 -","4","1","","Holsten, Sebastian; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Proximity enforced oxidative addition of a strong unpolar σ-Si-Si bond at rhodium(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1731","1735","10.1039/d0dt00017e","","","0.71073","MoKα","","0.068","0.0444","","","0.1058","0.1149","","","","","","1.037","","","","has coordinates","248955","2020-10-21","18:00:00",""
"7703261","44.7754","0.0014","11.8417","0.0004","16.7861","0.0005","90","","90","","90","","8900.3","0.5","100","","100","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C55 H50 Cl F P2 Rh Si2 -","- C55 H50 Cl F P2 Rh Si2 -","- C440 H400 Cl8 F8 P16 Rh8 Si16 -","8","1","","Holsten, Sebastian; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Proximity enforced oxidative addition of a strong unpolar σ-Si-Si bond at rhodium(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1731","1735","10.1039/d0dt00017e","","","0.71073","MoKα","","0.0593","0.0504","","","0.1207","0.1272","","","","","","1.35","","","","has coordinates","248955","2020-10-21","18:00:00",""
"7703262","12.4426","0.0004","12.7883","0.0004","15.2203","0.0005","108.476","0.003","104.868","0.003","103.354","0.003","2087.32","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B F20 Sb -","- C44 H30 B F20 Sb -","- C88 H60 B2 F40 Sb2 -","2","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0714","0.0452","","","0.0853","0.0978","","","","","","1.039","","","","has coordinates","248949","2020-10-21","18:00:00",""
"7703263","10.212","0.0002","13.0608","0.0004","8.1901","0.0002","90","","90","","90","","1092.37","0.05","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H15 F2 Sb -","- C10 H15 F2 Sb -","- C40 H60 F8 Sb4 -","4","0.5","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0321","0.0222","","","0.0406","0.0431","","","","","","1.041","","","","has coordinates,has disorder","248949","2020-10-21","18:00:00",""
"7703264","10.5921","0.0007","12.6396","0.0008","12.8627","0.0008","90.679","0.005","96.606","0.005","104.469","0.005","1654.89","0.19","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 B Cl F20 Sb -","- C34 H15 B Cl F20 Sb -","- C68 H30 B2 Cl2 F40 Sb2 -","2","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.1196","0.0683","","","0.0966","0.1178","","","","","","1.011","","","","has coordinates","248949","2020-10-21","18:00:00",""
"7703265","17.1165","0.0003","15.8699","0.0003","16.6561","0.0003","90","","90","","90","","4524.42","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H30 F3 O3 S Sb -","- C21 H30 F3 O3 S Sb -","- C168 H240 F24 O24 S8 Sb8 -","8","2","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0869","0.049","","","0.0674","0.0807","","","","","","1.018","","","","has coordinates","248949","2020-10-21","18:00:00",""
"7703266","10.6582","0.0003","12.6174","0.0004","12.8229","0.0003","90.784","0.002","95.717","0.002","105.278","0.003","1653.76","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 B Cl0.4 F20.6 Sb -","- C34 H15 B Cl0.4 F20.6 Sb -","- C68 H30 B2 Cl0.8 F41.2 Sb2 -","2","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.1352","0.0813","","","0.1308","0.1464","","","","","","1.158","","","","has coordinates,has disorder","248949","2020-10-21","18:00:00",""
"7703267","18.2924","0.0002","17.8036","0.0002","17.4223","0.0002","90","","113.529","0.001","90","","5202.19","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H41 B F22 N2 Sb -","- C58 H41 B F22 N2 Sb -","- C232 H164 B4 F88 N8 Sb4 -","4","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","1.54184","CuKα","","0.0884","0.0823","","","0.2431","0.2467","","","","","","1.101","","","","has coordinates,has disorder","248949","2020-10-21","18:00:00",""
"7703268","12.4453","0.0002","14.3947","0.0003","33.7578","0.0004","90","","90","","90","","6047.59","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Cl2 N8 O9 Zn -","- C27 H32 Cl2 N8 O9 Zn -","- C216 H256 Cl16 N64 O72 Zn8 -","8","1","","Ambrosi, Gianluca; Clares, Maria Paz; Pont, Isabel; Formica, Mauro; Fusi, Vieri; Ricci, Angela; Paoli, Paola; Rossi, Patrizia; García-España, Enrique; Inclán, Mario","Zn2+ and Cu2+ complexes of a Fluorescent Scorpiand-type Oxadiazole Azamacrocycle Ligand: Crystal Structures, Solution Study and Optical Properties","Dalton Transactions","2020","","","","","10.1039/C9DT04764F","","","1.54184","CuKα","","0.0659","0.0432","","","0.1127","0.1287","","","","","","1.068","","","","has coordinates","246852","2020-10-21","18:00:00",""
"7703269","12.3325","0.0003","14.5161","0.0004","33.7255","0.0007","90","","90","","90","","6037.5","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Cl2 Cu N8 O9 -","- C27 H32 Cl2 Cu N8 O9 -","- C216 H256 Cl16 Cu8 N64 O72 -","8","1","","Ambrosi, Gianluca; Clares, Maria Paz; Pont, Isabel; Formica, Mauro; Fusi, Vieri; Ricci, Angela; Paoli, Paola; Rossi, Patrizia; García-España, Enrique; Inclán, Mario","Zn2+ and Cu2+ complexes of a Fluorescent Scorpiand-type Oxadiazole Azamacrocycle Ligand: Crystal Structures, Solution Study and Optical Properties","Dalton Transactions","2020","","","","","10.1039/C9DT04764F","","","1.54184","CuKα","","0.0495","0.0381","","","0.0991","0.1086","","","","","","1.053","","","","has coordinates","246852","2020-10-21","18:00:00",""
"7703270","11.7568","0.0008","12.4231","0.0009","14.5497","0.001","68.256","0.002","79.612","0.002","78.9","0.002","1923","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 Ce Cl0.5 N5.5 O14.5 P -","- C30 H56 Ce Cl0.5 N5.5 O14.5 P -","- C60 H112 Ce2 Cl N11 O29 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0301","0.0271","","","0.0718","0.0732","","","","","","1.067","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703271","24.3204","0.0004","10.4214","0.0001","15.191","0.0002","90","","107.602","0.001","90","","3669.93","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Er N6 O12 P -","- C30 H52 Er N6 O12 P -","- C120 H208 Er4 N24 O48 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0404","0.03","","","0.0653","0.0702","","","","","","1.025","","","","has coordinates","248941","2020-10-21","18:00:00",""
"7703272","47.048","0.002","10.2943","0.0004","15.2057","0.0007","90","","90.717","0.002","90","","7363.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 N6 O12 P Tb -","- C30 H52 N6 O12 P Tb -","- C240 H416 N48 O96 P8 Tb8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0566","0.0522","","","0.1142","0.1159","","","","","","1.24","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703273","47.136","0.003","10.3082","0.0005","15.2253","0.0008","90","","90.685","0.002","90","","7397.3","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Eu N6 O12 P -","- C29.994 H51.993 Eu N6 O12 P -","- C239.952 H415.944 Eu8 N48 O96 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.059","0.0567","","","0.1358","0.1369","","","","","","1.382","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703274","10.2212","0.001","15.323","0.0013","25.162","0.002","77.957","0.003","78.577","0.003","89.761","0.003","3774.9","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48.5 Er N5 Na O12.25 P -","- C30 H40 Er N5 Na O12.25 P -","- C120 H160 Er4 N20 Na4 O49 P4 -","4","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.101","0.0915","","","0.2019","0.2082","","","","","","1.092","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703275","11.7803","0.0008","12.4274","0.0009","14.5862","0.0011","68.147","0.002","79.566","0.002","78.962","0.002","1931.1","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 Cl0.5 N5.5 O14.5 P Pr -","- C30 H56 Cl0.5 N5.5 O14.5 P Pr -","- C60 H112 Cl N11 O29 P2 Pr2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.03","0.0286","","","0.0776","0.0785","","","","","","1.055","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703276","49.3984","0.0012","10.1801","0.0002","15.3464","0.0004","90","","102.544","0.002","90","","7533.2","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H104 N10 Na2 O28 P2 Yb2 -","- C60 H80 N10 Na2 O28 P2 Yb2 -","- C240 H320 N40 Na8 O112 P8 Yb8 -","4","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0495","0.0402","","","0.099","0.1039","","","","","","1.075","","","","has coordinates,has disorder","291143","2024-04-09","08:50:59",""
"7703277","10.5893","0.0005","12.4277","0.0006","14.6008","0.0008","112.071","0.002","92.429","0.002","109.292","0.002","1649.94","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 N5 Nd O11 P -","- C30 H43 N5 Nd O11 P -","- C60 H86 N10 Nd2 O22 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0613","0.0433","","","0.0742","0.0798","","","","","","1.094","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703278","24.0303","0.0016","10.3449","0.0006","15.143","0.0011","90","","107.497","0.003","90","","3590.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 N6 O12 P Sc -","- C30 H52 N6 O12 P Sc -","- C120 H208 N24 O48 P4 Sc4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0455","0.0389","","","0.0983","0.1028","","","","","","1.041","","","","has coordinates","248941","2020-10-21","18:00:00",""
"7703279","47.041","0.008","10.2877","0.0014","15.205","0.002","90","","90.65","0.001","90","","7357.9","1.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 N6 O12 P Sm -","- C30 H52 N6 O12 P Sm -","- C240 H416 N48 O96 P8 Sm8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0637","0.0626","","","0.1671","0.1674","","","","","","1.465","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703280","47.142","0.002","10.3053","0.0004","15.3151","0.0007","90","","90.722","0.002","90","","7439.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 N6 Nd O12 P -","- C30 H52 N6 Nd O12 P -","- C240 H416 N48 Nd8 O96 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.1147","0.1067","","","0.2324","0.2357","","","","","","1.293","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703281","24.2222","0.0007","10.1613","0.0002","15.4093","0.0004","90","","95.455","0.001","90","","3775.5","0.16","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C30 H54 Ca0.5 Gd N5 O15 P -","- C30 H48 Ca0.5 Gd N5 O15 P -","- C120 H192 Ca2 Gd4 N20 O60 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0714","0.0616","","","0.1484","0.1548","","","","","","1.058","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703282","9.9701","0.0002","15.3519","0.0003","11.421","0.0003","90","","94.9903","0.0008","90","","1741.47","0.07","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C30 H47 Cl N6 O9 P Tb -","- C30 H47 Cl N6 O9 P Tb -","- C60 H94 Cl2 N12 O18 P2 Tb2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0252","0.0228","","","0.0484","0.0495","","","","","","1.017","","","","has coordinates","248941","2020-10-21","18:00:00",""
"7703283","24.1798","0.0013","10.1265","0.0005","15.2799","0.0008","90","","95.775","0.002","90","","3722.4","0.3","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C30 H52 Ca0.5 Ho N5 O14 P -","- C30 H47 Ca0.5 Ho N5 O14 P -","- C120 H188 Ca2 Ho4 N20 O56 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.1103","0.1022","","","0.24","0.2429","","","","","","1.338","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703284","33.417","0.002","15.8768","0.0009","25.8861","0.0017","90","","108.751","0.003","90","","13005.1","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70.3 H47.78 B3 Br0.52 F30 N2 P -","- C70.298 H47.7755 B3 Br0.5255 F30 N2 P -","- C562.384 H382.204 B24 Br4.204 F240 N16 P8 -","8","1","","Lam, Jolie; Cao, Levy L.; Farrell, Jeffrey M.; Stephan, Douglas W.","Reactions of carbene-stabilized borenium cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1839","1846","10.1039/c9dt04731j","","","0.71073","MoKα","","0.0666","0.0434","","","0.1026","0.1164","","","","","","1.013","","","","has coordinates,has disorder","248948","2020-10-21","18:00:00",""
"7703285","11.122","0.0005","14.2342","0.0006","15.0759","0.0006","114.156","0.002","90.165","0.002","100.617","0.003","2132.27","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H23 B2 F20 N3 -","- C48 H23 B2 F20 N3 -","- C96 H46 B4 F40 N6 -","2","1","","Lam, Jolie; Cao, Levy L.; Farrell, Jeffrey M.; Stephan, Douglas W.","Reactions of carbene-stabilized borenium cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1839","1846","10.1039/c9dt04731j","","","0.71073","MoKα","","0.1019","0.0449","","","0.0933","0.1228","","","","","","0.995","","","","has coordinates","248948","2020-10-21","18:00:00",""
"7703286","13.8682","0.001","16.2404","0.0013","16.2477","0.0012","78.806","0.005","80.992","0.004","66.332","0.004","3275.2","0.4","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.49 H39.99 B3 Cl4 F15 N4 -","- C66.5 H40 B3 Cl4 F15 N4 -","- C133 H80 B6 Cl8 F30 N8 -","2","1","","Lam, Jolie; Cao, Levy L.; Farrell, Jeffrey M.; Stephan, Douglas W.","Reactions of carbene-stabilized borenium cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1839","1846","10.1039/c9dt04731j","","","0.71073","MoKα","","0.1801","0.0781","","","0.1806","0.2089","","","","","","0.917","","","","has coordinates,has disorder","248948","2020-10-21","18:00:00",""
"7703287","60.7581","0.0003","60.7581","0.0003","60.7581","0.0003","90","","90","","90","","224291","1.9","291","2","291","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C98 H117 Cl16 Cu12 N65 O17 -","- C84 H96 Cl16 Cu12 N58 O17 -","- C2016 H2304 Cl384 Cu288 N1392 O408 -","24","0.125","","Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Tetrazole-based porous metal-organic frameworks for selective CO<sub>2</sub> adsorption and isomerization studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2145","2150","10.1039/c9dt04068d","","","0.71073","MoKα","","0.0444","0.0392","","","0.095","0.0954","","","","","","1.074","","","","has coordinates,has disorder","248965","2020-10-21","18:00:00",""
"7703288","9.2798","0.0016","12.302","0.002","12.377","0.002","61.304","0.003","86.912","0.003","88.272","0.004","1237.6","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cu3 N38 O2 -","- C30 H18 Cu3 N36 -","- C30 H18 Cu3 N36 -","1","0.5","","Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Tetrazole-based porous metal-organic frameworks for selective CO<sub>2</sub> adsorption and isomerization studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2145","2150","10.1039/c9dt04068d","","","0.71073","MoKα","","0.0943","0.0625","","","0.1031","0.1116","","","","","","0.886","","","","has coordinates","248965","2020-10-21","18:00:00",""
"7703289","9.7153","0.0014","6.9002","0.001","9.9555","0.0014","90","","90.104","0.003","90","","667.39","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cu N12 -","- C10 H6 Cu N12 -","- C20 H12 Cu2 N24 -","2","0.5","","Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Tetrazole-based porous metal-organic frameworks for selective CO<sub>2</sub> adsorption and isomerization studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2145","2150","10.1039/c9dt04068d","","","0.71073","MoKα","","0.027","0.0259","","","0.0842","0.0855","","","","","","1.045","","","","has coordinates","248965","2020-10-21","18:00:00",""
"7703290","13.7573","0.0002","14.4965","0.0002","18.0509","0.0002","76.858","0.001","87.683","0.001","69.42","0.001","3278.85","0.08","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H66 Dy2 F12 N4 O19 Zn2 -","- C57 H66 Dy2 F12 N4 O19 Zn2 -","- C114 H132 Dy4 F24 N8 O38 Zn4 -","2","1","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Zn<sub>2</sub>Ln<sub>2</sub> complexes with carbonate bridges formed by the fixation of carbon dioxide in the atmosphere: single-molecule magnet behaviour and magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2121","2128","10.1039/c9dt04480a","","x-ray","0.71073","MoKα","","0.0231","0.0212","","","0.0491","0.0499","","","","","","1.024","","","","has coordinates,has disorder","248974","2020-10-21","18:00:00",""
"7703291","13.792","0.0002","14.5529","0.0002","18.1149","0.0002","76.755","0.001","87.446","0.001","69.437","0.001","3311.12","0.08","170","0.11","170","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C57 H66 Eu2 F12 N4 O19 Zn2 -","- C57 H66 Eu2 F12 N4 O19 Zn2 -","- C114 H132 Eu4 F24 N8 O38 Zn4 -","2","1","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Zn<sub>2</sub>Ln<sub>2</sub> complexes with carbonate bridges formed by the fixation of carbon dioxide in the atmosphere: single-molecule magnet behaviour and magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2121","2128","10.1039/c9dt04480a","","x-ray","1.54184","CuKα","","0.0407","0.0365","","","0.0936","0.0976","","","","","","1.021","","","","has coordinates,has disorder","248974","2020-10-21","18:00:00",""
"7703292","13.7623","0.0002","14.5407","0.0002","18.0644","0.0002","76.86","0.001","87.565","0.001","69.419","0.001","3292.83","0.08","170.01","0.1","170.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H66 F12 Gd2 N4 O19 Zn2 -","- C57 H66 F12 Gd2 N4 O19 Zn2 -","- C114 H132 F24 Gd4 N8 O38 Zn4 -","2","1","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Zn<sub>2</sub>Ln<sub>2</sub> complexes with carbonate bridges formed by the fixation of carbon dioxide in the atmosphere: single-molecule magnet behaviour and magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2121","2128","10.1039/c9dt04480a","","x-ray","0.71073","MoKα","","0.0231","0.0206","","","0.0484","0.0494","","","","","","1.03","","","","has coordinates,has disorder","248974","2020-10-21","18:00:00",""
"7703293","25.0243","0.0015","6.0344","0.0003","11.7615","0.0006","90","","104.112","0.005","90","","1722.46","0.16","373","2","373","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl4 N2 Pb -","- C10 H24 Cl4 N2 Pb -","- C40 H96 Cl16 N8 Pb4 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","","1.54178","CuKα","","0.0959","0.0954","","","0.24","0.2413","","","","","","1.026","","","","has coordinates,has disorder","248968","2020-10-21","18:00:00",""
"7703294","12.15","0.05","24.9","0.07","6.2","0.01","90","","90","","90","","1876","10","210","2","210","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Br4 N2 Pb -","- C10 H24 Br4 N2 Pb -","- C40 H96 Br16 N8 Pb4 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","","1.34139","GaKα","","0.1512","0.1272","","","0.3062","0.3235","","","","","","1.071","","","","has coordinates,has disorder","248968","2020-10-21","18:00:00",""
"7703295","19.316","0.0019","8.2729","0.0008","17.4841","0.0017","90","","116.121","0.003","90","","2508.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C40 H96 I24 N8 Pb8 -","8","2","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","","0.71073","MoKα","","0.1159","0.1071","","","0.3232","0.3496","","","","","","1.038","","","","has coordinates","248968","2020-10-21","18:00:00",""
"7703296","22.4936","0.0008","23.8631","0.001","6.1802","0.0002","90","","90","","90","","3317.3","0.2","120","0.1","120","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H48 Cl8 N4 Pb2 -","- C20 H48 Cl8 N4 Pb2 -","- C80 H192 Cl32 N16 Pb8 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","x-ray","0.71073","MoKα","","0.0323","0.0233","","","0.056","0.0586","","","","","","1.031","","","","has coordinates","248968","2020-10-21","18:00:00",""
"7703297","25.978","0.0009","26.928","0.0009","11.729","0.0005","90","","106.866","0.004","90","","7851.9","0.5","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H86 Cl4 N4 W2 -","- C64 H86 Cl4 N4 W2 -","- C256 H344 Cl16 N16 W8 -","4","0.5","","Noor, Awal; Qayyum, Sadaf; Schwarz, Stefan; Dietel, Thomas; Kempe, Rhett","Formation of a dimeric tungsten(i) complex via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1992","1996","10.1039/c9dt04847b","","","0.71069","MoKα","","0.1262","0.0521","","","0.103","0.1184","","","","","","0.706","","","","has coordinates","248945","2020-10-21","18:00:00",""
"7703298","14.969","0.0005","11.8","0.0004","23.307","0.0008","90","","92.463","0.003","90","","4113","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H110 K2 N4 W2 -","- C88 H110 K2 N4 W2 -","- C176 H220 K4 N8 W4 -","2","0.5","","Noor, Awal; Qayyum, Sadaf; Schwarz, Stefan; Dietel, Thomas; Kempe, Rhett","Formation of a dimeric tungsten(i) complex via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1992","1996","10.1039/c9dt04847b","","","0.71069","MoKα","","0.0689","0.0492","","","0.1218","0.1299","","","","","","1.036","","","","has coordinates","248945","2020-10-21","18:00:00",""
"7703299","13.358","0.005","24.83","0.005","17.125","0.005","90","0.005","93.678","0.005","90","0.005","5668","3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C99.97 H156.95 K2 N8 O11.96 W2 -","- C99.97 H156.94 K2 N8 O11.96 W2 -","- C199.94 H313.88 K4 N16 O23.92 W4 -","2","1","","Noor, Awal; Qayyum, Sadaf; Schwarz, Stefan; Dietel, Thomas; Kempe, Rhett","Formation of a dimeric tungsten(i) complex via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1992","1996","10.1039/c9dt04847b","","","0.71069","MoKα","","0.1214","0.0858","","","0.2061","0.2335","","","","","","1.053","","","","has coordinates","248945","2020-10-21","18:00:00",""
"7703300","11.2439","0.0007","13.6597","0.0008","16.447","0.0012","90","","90","","90","","2526.1","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cd N8 O8 -","- C20 H30 Cd N8 O8 -","- C80 H120 Cd4 N32 O32 -","4","1","","Lugo-González, José Carlos; Gómez-Tagle, Paola; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.","Mechanistic study of carboxylic acid and phosphate ester cleavage by oximate metal complexes surpassing the limiting reactivity of highly basic free oximate anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2452","2467","10.1039/c9dt04733f","","","0.71073","MoKα","","0.0358","0.0313","","","0.0615","0.0646","","","","","","1.028","","","","has coordinates","248916","2020-10-21","18:00:00",""
"7703301","19.2128","0.0007","29.4172","0.0011","9.7806","0.0003","90","","90","","90","","5527.9","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28 H28 I10 K2 N4 O8 Pb4 -","- C28 H28 I10 K2 N4 O8 Pb4 -","- C112 H112 I40 K8 N16 O32 Pb16 -","4","0.5","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.0276","0.0257","","","0.0968","0.099","","","","","","1.005","","","","has coordinates","248946","2020-10-21","18:00:00",""
"7703302","22.0019","0.0015","17.1755","0.0012","24.1054","0.0014","90","","90","","90","","9109.3","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 Fe I6 N7 Pb2 -","- C38 H27 Fe I6 N7 Pb2 -","- C304 H216 Fe8 I48 N56 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","1.54184","CuKα","","0.0869","0.0455","","","0.1082","0.1287","","","","","","1.043","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703303","22.2907","0.0006","17.2834","0.0006","23.7873","0.0009","90","","90","","90","","9164.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 I6 N7 Ni Pb2 -","- C38 H27 I6 N7 Ni Pb2 -","- C304 H216 I48 N56 Ni8 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.1014","0.0549","","","0.0966","0.1144","","","","","","1.083","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703304","22.4431","0.0012","17.4343","0.0008","23.4749","0.0014","90","","90","","90","","9185.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 Co I6 N7 Pb2 -","- C38 H27 Co I6 N7 Pb2 -","- C304 H216 Co8 I48 N56 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.0434","0.0317","","","0.075","0.0808","","","","","","1.056","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703305","8.344","0.002","9.615","0.003","11.712","0.003","68.384","0.007","78.578","0.009","88.123","0.008","855.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N Pt S -","- C21 H19 N Pt S -","- C42 H38 N2 Pt2 S2 -","2","1","","Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Park, Chan; Wu, Guang; Abu-Omar, Mahdi M","Discovery and mechanistic investigation of Pt-catalyzed oxidative homocoupling of benzene with PhI(OAc)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2477","2486","10.1039/c9dt04261j","","","0.71073","MoKα","","0.0529","0.0389","","","0.0705","0.0754","","","","","","1.005","","","","has coordinates","248912","2020-10-21","18:00:00",""
"7703306","35.7408","0.0015","13.3259","0.0005","24.6081","0.001","90","","91.22","0.003","90","","11717.6","0.8","230","2","230","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cl3 F6 Ni2 O P5 S2 -","- C57 H58 Cl3 F6 Ni2 O P5 S2 -","- C456 H464 Cl24 F48 Ni16 O8 P40 S16 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0664","0.0461","","","0.0976","0.1069","","","","","","1.034","","","","has coordinates","248971","2020-10-21","18:00:00",""
"7703307","13.2896","0.0007","35.8764","0.0018","14.5814","0.0007","90","","97.5201","0.0011","90","","6892.4","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H65 Cl4 F12 N Ni2 P6 S2 -","- C64 H65 Cl4 F12 N Ni2 P6 S2 -","- C256 H260 Cl16 F48 N4 Ni8 P24 S8 -","4","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0604","0.0461","","","0.1065","0.1118","","","","","","1.03","","","","has coordinates,has disorder","248971","2020-10-21","18:00:00",""
"7703308","35.436","0.004","13.4228","0.0015","24.186","0.003","90","","91","","90","","11502","2","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H59 Cl F6 N Ni2 P5 S3 -","- C58 H59 Cl F6 N Ni2 P5 S3 -","- C464 H472 Cl8 F48 N8 Ni16 P40 S24 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0658","0.0552","","","0.1575","0.1653","","","","","","1.01","","","","has coordinates","248971","2020-10-21","18:00:00",""
"7703309","28.1408","0.0018","13.9434","0.0009","25.579","0.0017","90","","106.097","0.002","90","","9643.1","1.1","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H96 B2 Ni2 P4 S3 -","- C104 H96 B2 Ni2 P4 S3 -","- C416 H384 B8 Ni8 P16 S12 -","4","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0662","0.05","","","0.1158","0.1227","","","","","","1.042","","","","has coordinates","248971","2020-10-21","18:00:00",""
"7703310","11.159","0.003","22.849","0.006","23.684","0.007","111.619","0.011","97.083","0.012","91.352","0.013","5555","3","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H139 Cu9 N19 O27 P4 -","- C87 H139 Cu9 N19 O27 P4 -","- C174 H278 Cu18 N38 O54 P8 -","2","1","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0602","0.044","","","0.1105","0.1216","","","","","","1.036","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703311","31.5291","0.0007","31.5291","0.0007","28.0882","0.001","90","","90","","120","","24181.2","1.1","150","2","150.01","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C167 H167 Cu9 N15 O23 P4 -","- C132 H136 Cu9 N15 O23 P4 -","- C792 H816 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0589","0.044","","","0.0935","0.1002","","","","","","0.991","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703312","31.198","0.004","31.198","0.004","27.045","0.005","90","","90","","120","","22797","6","170","2","170","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C159 H150.67 Cu9 N15 O23 P4 -","- C126 H124 Cu9 N15 O23 P4 -","- C756 H744 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0541","0.0376","","","0.0821","0.0864","","","","","","0.889","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703313","31.38","0.004","31.38","0.004","27.242","0.005","90","","90","","120","","23231","6","170","2","170","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C163 H159 Cu9 N15 O23 P4 -","- C129 H130 Cu9 N15 O23 P4 -","- C774 H780 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0964","0.05","","","0.1025","0.1214","","","","","","0.825","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703314","9.3654","0.0002","9.3654","0.0002","6.8188","0.0001","90","","90","","120","","517.954","0.017","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","Dysprosium calcium silicate oxyapatite","","- Ca1.96 Dy8.04 O26 Si6 -","- Ca1.96 Dy8.04 O26 Si6 -","- Ca1.96 Dy8.04 O26 Si6 -","1","0.0833333","","Kazin, Pavel E.; Zykin, Mikhail A.; Trusov, Lev A.; Vasiliev, Alexander V.; Kremer, Reinhard K.; Dinnebier, Robert E.; Jansen, Martin","Multiple slow relaxation of magnetization in Dy<sup>3+</sup> confined in the crystal matrix of rare-earth-calcium silicates with the apatite structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2014","2023","10.1039/c9dt04248b","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0198","0.0175","","0.0207","0.0205","","","","1.43","","","","","","","has coordinates","248951","2020-10-21","18:00:00",""
"7703315","32.8559","0.0011","8.4989","0.0004","18.2283","0.0007","90","","96.996","0.0017","90","","5052.2","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(3-Methyl-4-oxo-(1H-κN2-pyrazol-1-yl)-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)ruthenium(II)]","","- C27 H32 N2 O5 Ru -","- C27 H32 N2 O5 Ru -","- C216 H256 N16 O40 Ru8 -","8","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0658","0.0478","","","0.113","0.1218","","","","","","1.048","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703316","9.6758","0.0002","14.2466","0.0003","17.8729","0.0004","71.6959","0.0013","84.0849","0.0014","72.7405","0.0013","2233.61","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","3-methyl-1-(4-methyl-1H-κN2-pyrazol-1-yl)-4-oxo-1,4-dihydronaphthalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)ruthenium(II)","","- C25 H26 N2 O3 Ru -","- C25 H26 N2 O3 Ru -","- C100 H104 N8 O12 Ru4 -","4","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","1.54178","CuKα","","0.073","0.065","","","0.1663","0.1754","","","","","","1.058","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703317","16.369","0.0009","7.6784","0.0004","18.1186","0.001","90","","110.6","0.0013","90","","2131.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(3-Methyl-1-(4-methyl-1H-κN2-pyrazol-1-yl)-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)osmium(II)]","","- C25 H26 N2 O3 Os -","- C25 H26 N2 O3 Os -","- C100 H104 N8 O12 Os4 -","4","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","1.54178","CuKα","","0.0301","0.0298","","","0.0794","0.0796","","","","","","1.11","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703318","11.441","0.0002","15.6073","0.0003","17.4184","0.0003","107.783","0.0007","99.4","0.0007","108.573","0.0006","2687.88","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","[(1-(1H-κN2-indazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]","","- C28.7 H27.75 N2 O3.17 Ru -","- C28.7 H27.75 N2 O3.175 Ru -","- C114.8 H111 N8 O12.7 Ru4 -","4","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0651","0.0455","","","0.0934","0.1049","","","","","","1.039","","","","has coordinates,has disorder","248932","2020-10-21","18:00:00",""
"7703319","10.9871","0.0009","9.5021","0.0007","27.626","0.002","90","","98.361","0.003","90","","2853.5","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(1-(6-amino-1H-κN2-indazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]","","- C28 H27 N3 O3 Ru -","- C28 H27 N3 O3 Ru -","- C112 H108 N12 O12 Ru4 -","4","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","1.54178","CuKα","","0.0979","0.0974","","","0.2269","0.2271","","","","","","1.244","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703320","11.8354","0.0006","14.6547","0.0007","12.6306","0.0006","90","","110.497","0.0015","90","","2052.02","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(3-Methyl-4-oxo-(1H-κN2-pyrazol-1-yl)-1,4-dihydronaphtalene -1,2-bis(olato)-κO1-κO2)(η6-p-cymene)osmium(II)]","","- C24 H26 N2 O4 Os -","- C24 H26 N2 O4 Os -","- C96 H104 N8 O16 Os4 -","4","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0323","0.0306","","","0.0792","0.0803","","","","","","1.103","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703321","11.3136","0.0009","23.5155","0.0017","17.8647","0.0015","90","","102.414","0.003","90","","4641.7","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(1-(4-amino-1H-κN2-pyrazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]","","- C24 H25 N3 O3 Ru -","- C24 H25 N3 O3 Ru -","- C192 H200 N24 O24 Ru8 -","8","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.1232","0.0884","","","0.1915","0.2108","","","","","","1.07","","","","has coordinates,has disorder","248932","2020-10-21","18:00:00",""
"7703322","11.4724","0.0003","15.5715","0.0004","17.457","0.0005","107.688","0.001","99.3524","0.001","108.347","0.001","2702.77","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","[(1-(1H-κN2-indazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)osmium(II)]","","- C28 H26 N2 O3 Os -","- C28 H26 N2 O3 Os -","- C112 H104 N8 O12 Os4 -","4","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0623","0.0509","","","0.1186","0.1242","","","","","","1.052","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703323","17.552","0.0015","14.0826","0.0009","18.308","0.0017","90","","90","","90","","4525.3","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(DIM)Fe(NO)2","","- C22 H28 Fe N4 O2 -","- C22 H28 Fe N4 O2 -","- C176 H224 Fe8 N32 O16 -","8","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.0986","0.0462","","","0.0832","0.0987","","","","","","1.005","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703324","17.0228","0.0004","11.6142","0.0004","15.9579","0.0005","90","","90","","90","","3154.98","0.16","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(DIM)Fe(NO3)2(MeCN)","","- C28 H37 Fe N7 O6 -","- C28 H37 Fe N7 O6 -","- C112 H148 Fe4 N28 O24 -","4","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.0323","0.0263","","","0.0643","0.0664","","","","","","1.044","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703325","6.5143","0.0006","10.6792","0.0009","16.5422","0.0014","90","","98.808","0.005","90","","1137.23","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Bpin)2bpy","","- C11 H16 B N O2 -","- C11 H16 B N O2 -","- C44 H64 B4 N4 O8 -","4","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.1102","0.055","","","0.141","0.1765","","","","","","1.016","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703326","14.5845","0.0014","22.502","0.002","23.913","0.002","90","","96.025","0.002","90","","7804.4","1.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H47 Co3 N5 O14 -","- C62 H47 Co3 N5 O14 -","- C248 H188 Co12 N20 O56 -","4","1","","Zhang, Xiuling; Zhang, Ran-Hui; Hu, Hui; Geng, Longlong; Zhang, Yong-Zheng; Gao, Jun; Zhang, Da-Shuai; Jin, Yao-Qiang; Sheng, Jianmin","Combining unsaturated metal sites and narrow pores within a Co(ii)-based MOF towards CO<sub>2</sub> separation and transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2058","2062","10.1039/c9dt04736k","","","0.71073","MoKα","","0.089","0.0549","","","0.1514","0.1699","","","","","","1.003","","","","has coordinates","248963","2020-10-21","18:00:00",""
"7703327","8.8458","0.0015","6.0291","0.001","10.7271","0.0018","90","","104.815","0.017","90","","553.08","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N4 O2 -","- C3 H4 Ag N4 O2 -","- C12 H16 Ag4 N16 O8 -","4","1","","Cao, Senni; Ma, Xiufang; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Yang, Jinhui; Liu, Xiangyu; Xie, Gang; Chen, Sanping","Modulating energetic performance through decorating nitrogen-rich ligands in high-energy MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2300","2307","10.1039/c9dt04803k","","","0.71073","MoKα","","0.0636","0.0562","","","0.1342","0.1397","","","","","","1.058","","","","has coordinates","248972","2020-10-21","18:00:00",""
"7703328","4.2779","0.0009","10.937","0.002","14.054","0.003","90","","105.837","0.008","90","","632.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N5 O2 -","- C3 H4 Ag N5 O2 -","- C12 H16 Ag4 N20 O8 -","4","1","","Cao, Senni; Ma, Xiufang; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Yang, Jinhui; Liu, Xiangyu; Xie, Gang; Chen, Sanping","Modulating energetic performance through decorating nitrogen-rich ligands in high-energy MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2300","2307","10.1039/c9dt04803k","","","0.71073","MoKα","","0.1143","0.1073","","","0.2834","0.2886","","","","","","1.221","","","","has coordinates","248972","2020-10-21","18:00:00",""
"7703329","9.7705","0.0002","10.1541","0.0003","16.0919","0.0005","75.559","0.003","78.781","0.002","62.824","0.003","1369.33","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H28.6 Cl F3 N4 O6.3 Ru S -","- C23 H28.602 Cl F3 N4 O6.301 Ru S -","- C46 H57.204 Cl2 F6 N8 O12.602 Ru2 S2 -","2","1","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","0.71073","MoKα","","0.0292","0.026","","","0.0626","0.0649","","","","","","0.963","","","","has coordinates,has disorder","248954","2020-10-21","18:00:00",""
"7703330","12.45753","0.0001","28.13655","0.00018","7.85029","0.00006","90","","97.1456","0.0007","90","","2730.25","0.04","173","0.1","173","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl F3 N4 O6 Ru S -","- C23 H28 Cl F3 N4 O6 Ru S -","- C92 H112 Cl4 F12 N16 O24 Ru4 S4 -","4","2","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0791","0.0812","","","","","","1.041","","","","has coordinates,has disorder","248954","2020-10-21","18:00:00",""
"7703331","11.2395","0.0001","12.4783","0.0001","12.5536","0.0001","69.862","0.001","87.934","0.001","69.49","0.001","1541.05","0.03","173.01","0.1","173.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 F6 N8 O6 Ru S2 -","- C21 H26 F6 N8 O6 Ru S2 -","- C42 H52 F12 N16 O12 Ru2 S4 -","2","1","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","1.54184","CuKα","","0.0478","0.047","","","0.1362","0.137","","","","","","1.069","","","","has coordinates,has disorder","248954","2020-10-21","18:00:00",""
"7703332","13.3854","0.0004","14.8258","0.0005","16.1157","0.0012","106.164","0.005","98.769","0.004","116.609","0.003","2599.4","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C42 H52 Cl2 F6 N8 O9 Ru2 S2 -","- C42 H52 Cl2 F6 N8 O9 Ru2 S2 -","- C84 H104 Cl4 F12 N16 O18 Ru4 S4 -","2","1","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","0.71073","MoKα","","0.1048","0.0706","","","0.1834","0.1956","","","","","","1.031","","","","has coordinates","248954","2020-10-21","18:00:00",""
"7703333","12.3971","0.001","14.4307","0.0011","14.4835","0.0011","99.742","0.004","106.683","0.004","106.122","0.004","2295.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 K2.69 N6 O27.48 V3 -","- C28 H41 K2.695 N6 O27.507 V3 -","- C56 H82 K5.39 N12 O55.014 V6 -","2","1","","Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa","Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2589","2609","10.1039/c9dt04415a","","","0.71073","MoKα","","0.0835","0.0678","","","0.1798","0.1909","","","","","","1.028","","","","has coordinates,has disorder","248923","2020-10-21","18:00:00",""
"7703334","17.6152","0.0005","22.3867","0.0007","24.772","0.0007","90","","110.089","0.001","90","","9174.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Cs3 N6 O19 V3 -","- C33 H36 Cs3 N6 O19 V3 -","- C264 H288 Cs24 N48 O152 V24 -","8","1","","Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa","Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2589","2609","10.1039/c9dt04415a","","","0.71073","MoKα","","0.0483","0.0366","","","0.0891","0.0933","","","","","","1.056","","","","has coordinates","248923","2020-10-21","18:00:00",""
"7703335","11.9351","0.0007","12.7326","0.0007","16.2519","0.001","99.587","0.003","108.169","0.003","102.462","0.003","2217.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H35.24 Cs3.05 N9 O19.29 V3 -","- C30 H35.24 Cs3.048 N9 O19.283 V3 -","- C60 H70.48 Cs6.096 N18 O38.566 V6 -","2","1","","Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa","Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2589","2609","10.1039/c9dt04415a","","","0.71073","MoKα","","0.0514","0.0398","","","0.107","0.1132","","","","","","1.073","","","","has coordinates,has disorder","248923","2020-10-21","18:00:00",""
"7703336","20.3467","0.0003","13.1849","0.0003","4.90129","0.00008","90","","90","","90","","1314.87","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,2-azidoaniline","","- C6 H6 N4 -","- C6 H6 N4 -","- C48 H48 N32 -","8","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0354","0.0341","","","0.0932","0.0943","","","","","","1.064","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703337","6.739","0.0004","20.3245","0.0011","5.2307","0.0003","90","","95.7","0.005","90","","712.89","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-diazidobenzene","","- C6 H4 N6 -","- C6 H4 N6 -","- C24 H16 N24 -","4","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0644","0.0552","","","0.1445","0.1537","","","","","","1.044","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703338","20.827","0.0003","11.842","0.0002","15.7786","0.0003","90","","90","","90","","3891.53","0.11","100.3","0.8","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","PN3PNUCl2","","- C42 H32 Cl2 N4 O2 P2 U -","- C42 H32 Cl2 N4 O2 P2 U -","- C168 H128 Cl8 N16 O8 P8 U4 -","4","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","","1.54184","CuKα","","0.0373","0.0336","","","0.0802","0.0817","","","","","","1.001","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703339","13.7944","0.0001","17.44271","0.00012","20.4207","0.00016","90","","94.9425","0.0007","90","","4895.19","0.06","100","0.13","100","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","P(N3)-P=N","","- C54 H45 Cl3 N4 O2 P2 U -","- C54 H45 Cl3 N4 O2 P2 U -","- C216 H180 Cl12 N16 O8 P8 U4 -","4","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0301","0.0291","","","0.0792","0.08","","","","","","1.124","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703340","10.72961","0.00008","11.58355","0.00006","19.45445","0.00011","103.845","0.0005","95.7658","0.0006","102.839","0.0006","2258.64","0.03","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","Phosphazide-UCl2","","- C42 H32 Cl2 N6 O2 P2 U -","- C42 H32 Cl2 N6 O2 P2 U -","- C84 H64 Cl4 N12 O4 P4 U2 -","2","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0236","0.0229","","","0.0549","0.0551","","","","","","1.111","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703341","19.191","0.002","16.3197","0.0018","14.8442","0.0016","90","","108.715","0.003","90","","4403.3","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 N4 O Sc Si2 -","- C43 H63 N4 O Sc Si2 -","- C172 H252 N16 O4 Sc4 Si8 -","4","1","","Gurina, G. A.; Kissel, A. A.; Lyubov, D. M.; Luconi, L.; Rossin, A.; Tuci, G.; Cherkasov, A. V.; Lyssenko, K. A.; Shavyrin, A. S.; Ob'edkov, A. M.; Giambastiani, G.; Trifonov, A. A.","Bis(alkyl) scandium and yttrium complexes coordinated by an amidopyridinate ligand: synthesis, characterization and catalytic performance in isoprene polymerization, hydroelementation and carbon dioxide hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","638","650","10.1039/c9dt04338a","","","0.71073","MoKα","","0.0876","0.0535","","","0.128","0.149","","","","","","1.01","","","","has coordinates,has disorder","247075","2020-10-21","18:00:00",""
"7703342","22.286","0.001","15.6506","0.0007","26.8173","0.0012","90","","90.918","0.001","90","","9352.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H67 N4 O Si2 Y -","- C46.5 H67 N4 O Si2 Y -","- C372 H536 N32 O8 Si16 Y8 -","8","1","","Gurina, G. A.; Kissel, A. A.; Lyubov, D. M.; Luconi, L.; Rossin, A.; Tuci, G.; Cherkasov, A. V.; Lyssenko, K. A.; Shavyrin, A. S.; Ob'edkov, A. M.; Giambastiani, G.; Trifonov, A. A.","Bis(alkyl) scandium and yttrium complexes coordinated by an amidopyridinate ligand: synthesis, characterization and catalytic performance in isoprene polymerization, hydroelementation and carbon dioxide hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","638","650","10.1039/c9dt04338a","","","0.71073","MoKα","","0.1029","0.059","","","0.12","0.1383","","","","","","1.056","","","","has coordinates,has disorder","247075","2020-10-21","18:00:00",""
"7703343","11.6694","0.0006","13.2058","0.0007","17.233","0.0009","112.225","0.001","104.719","0.001","91.704","0.001","2354.1","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H70 N4 O2 Si2 Y -","- C43 H70 N4 O2 Si2 Y -","- C86 H140 N8 O4 Si4 Y2 -","2","1","","Gurina, G. A.; Kissel, A. A.; Lyubov, D. M.; Luconi, L.; Rossin, A.; Tuci, G.; Cherkasov, A. V.; Lyssenko, K. A.; Shavyrin, A. S.; Ob'edkov, A. M.; Giambastiani, G.; Trifonov, A. A.","Bis(alkyl) scandium and yttrium complexes coordinated by an amidopyridinate ligand: synthesis, characterization and catalytic performance in isoprene polymerization, hydroelementation and carbon dioxide hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","638","650","10.1039/c9dt04338a","","","0.71073","MoKα","","0.0845","0.0474","","","0.0981","0.1101","","","","","","1.007","","","","has coordinates,has disorder","247075","2020-10-21","18:00:00",""
"7703344","10.2865","0.0012","19.567","0.002","7.0413","0.0008","90","","95.596","0.001","90","","1410.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O6 Pt -","- C12 H16 N2 O6 Pt -","- C48 H64 N8 O24 Pt4 -","4","1","","Ohno, Keiji; Komuro, Masaya; Sugaya, Tomoaki; Nagasawa, Akira; Fujihara, Takashi","Luminescence of mononuclear Pt(ii) complexes with glycolate: external stimuli-induced excimer emission changes to oligomer emissions.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1873","1882","10.1039/c9dt03996a","","","0.71073","MoKα","","0.0322","0.0216","","","0.0451","0.0493","","","","","","0.85","","","","has coordinates","248950","2020-10-21","18:00:00",""
"7703345","6.8059","0.0008","13.9533","0.0016","20.231","0.002","90","","90.907","0.001","90","","1921","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O3 Pt -","- C20 H26 N2 O3 Pt -","- C80 H104 N8 O12 Pt4 -","4","1","","Ohno, Keiji; Komuro, Masaya; Sugaya, Tomoaki; Nagasawa, Akira; Fujihara, Takashi","Luminescence of mononuclear Pt(ii) complexes with glycolate: external stimuli-induced excimer emission changes to oligomer emissions.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1873","1882","10.1039/c9dt03996a","","","0.71073","MoKα","","0.0398","0.0296","","","0.0713","0.075","","","","","","1.042","","","","has coordinates","248950","2020-10-21","18:00:00",""
"7703346","7.511","0.0003","7.5446","0.0002","7.5819","0.0004","99.535","0.003","96.567","0.004","96.365","0.003","417.22","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Al H I6 K2 O18 -","- Al H I6 K2 O18 -","- Al H I6 K2 O18 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","","0.71073","MoKα","","0.028","0.0262","","","0.0631","0.0638","","","","","","1.19","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703347","7.6423","0.0005","7.6595","0.0004","7.6941","0.0006","99.12","0.006","96.854","0.006","97.319","0.005","436.57","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","x-ray","0.71073","MoKα","","0.0713","0.0642","","","0.1702","0.1744","","","","","","1.102","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703348","7.6096","0.0003","7.6494","0.0003","7.665","0.0003","99.143","0.003","96.684","0.003","97.015","0.003","432.99","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Al H I6 O18 Rb2 -","- Al H I6 O18 Rb2 -","- Al H I6 O18 Rb2 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","x-ray","0.71073","MoKα","","0.0253","0.0229","","","0.0516","0.0523","","","","","","1.146","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703349","7.5447","0.0002","7.5684","0.0002","7.5962","0.0002","99.565","0.002","96.84","0.002","96.488","0.002","420.75","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","x-ray","0.71073","MoKα","","0.0216","0.0194","","","0.0404","0.0412","","","","","","1.213","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703350","13.6395","0.0004","14.5011","0.0004","16.4868","0.0005","98.622","0.001","96.089","0.001","98.207","0.001","3163.83","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H58 Ni O4 P2 -","- C62 H58 Ni O4 P2 -","- C124 H116 Ni2 O8 P4 -","2","1","","Zhang, Yue; Zhang, Yixin; Chi, Yue; Jian, Zhongbao","Influence of initiating groups on phosphino-phenolate nickel catalyzed ethylene (co)polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2636","2644","10.1039/c9dt04482e","","","","CuKα","","0.0815","0.0719","","","0.1812","0.1898","","","","","","1.053","","","","has coordinates","248915","2020-10-21","18:00:00",""
"7703351","15.8751","0.0006","10.53178","0.00032","10.5672","0.0004","90","","90","","90","","1766.76","0.11","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Ho10 Mo2 O21 -","- Ho10 Mo2 O21 -","- Ho40 Mo8 O84 -","4","0.5","","Shlyakhtina, A. V.; Avdeev, M.; Lyskov, N. V.; Abrantes, J. C. C.; Gomes, E.; Denisova, K. N.; Kolbanev, I. V.; Chernyak, S. A.; Volkova, O. S.; Vasiliev, A. N.","Structure, conductivity and magnetism of orthorhombic and fluorite polymorphs in MoO<sub>3</sub>-Ln<sub>2</sub>O<sub>3</sub> (Ln = Gd, Dy, Ho) systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2833","2842","10.1039/c9dt04724g","powder diffraction","","","","","","","","","","","","","1.16","","","","","","","has coordinates","248979","2020-10-21","18:00:00",""
"7703352","10.3185","0.0003","16.0985","0.0005","16.1412","0.0005","118.099","0.002","96","0.002","92.008","0.002","2341.39","0.13","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H47 Br2 N14 O14 Yb -","- C38 H47 Br2 N14 O14 Yb -","- C76 H94 Br4 N28 O28 Yb2 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.54186","CuKα","","0.0639","0.0601","","","0.1546","0.1604","","","","","","1.066","","","","has coordinates","248961","2020-10-21","18:00:00",""
"7703353","12.9343","0.0001","12.9343","0.0001","46.4828","0.0006","90","","90","","120","","6734.55","0.11","150.15","","150.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C40 H43 Br2 N16 O11 Y -","- C40 H43 Br2 N16 O11 Y -","- C240 H258 Br12 N96 O66 Y6 -","6","0.5","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0268","0.0266","","","0.0758","0.076","","","","","","1.063","","","","has coordinates,has disorder","248961","2020-10-21","18:00:00",""
"7703354","13.0011","0.0001","13.0011","0.0001","46.6691","0.0004","90","","90","","120","","6831.57","0.09","150.15","","150.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C40 H43 Br2 N16 O11 Sm -","- C40 H43 Br2 N16 O11 Sm -","- C240 H258 Br12 N96 O66 Sm6 -","6","0.5","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0242","0.0235","","","0.0649","0.0655","","","","","","1.068","","","","has coordinates,has disorder","248961","2020-10-21","18:00:00",""
"7703355","12.4509","0.0003","18.161","0.0004","21.2663","0.0006","90","","93.752","0.002","90","","4798.4","0.2","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Br2 Er N13 O12 -","- C34 H36 Br2 Er N13 O12 -","- C136 H144 Br8 Er4 N52 O48 -","4","1","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0636","0.0534","","","0.1596","0.1651","","","","","","1.065","","","","has coordinates","248961","2020-10-21","18:00:00",""
"7703356","13.615","0.0014","13.6873","0.0013","14.1064","0.0017","74.228","0.003","84.884","0.004","62.691","0.003","2245.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H94 Cl2 O36 P2 Tb2 Ti6 -","- C78 H94 Cl2 O36 P2 Tb2 Ti6 -","- C78 H94 Cl2 O36 P2 Tb2 Ti6 -","1","0.5","","Zhang, Kai; Lin, Ping; Du, Shao-Wu","Facile and scalable synthesis of Ti<sub>6</sub>Mn<sub>2</sub> oxo-cluster nanocrystals with flower-like morphology and excellent photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2444","2451","10.1039/c9dt04886c","","","0.71073","MoKα","","0.0321","0.0285","","","0.0679","0.0698","","","","","","1.09","","","","has coordinates","248911","2020-10-21","18:00:00",""
"7703357","12.454","0.005","22.161","0.008","14.561","0.006","90","","104.66","0.01","90","","3888","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Mn O17 P Ti3 -","- C33 H33 Mn O17 P Ti3 -","- C132 H132 Mn4 O68 P4 Ti12 -","4","1","","Zhang, Kai; Lin, Ping; Du, Shao-Wu","Facile and scalable synthesis of Ti<sub>6</sub>Mn<sub>2</sub> oxo-cluster nanocrystals with flower-like morphology and excellent photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2444","2451","10.1039/c9dt04886c","","","0.71073","MoKα","","0.0813","0.0703","","","0.1577","0.1679","","","","","","1.28","","","","has coordinates,has disorder","248911","2020-10-21","18:00:00",""
"7703358","31.7219","0.0012","31.7219","0.0012","15.9319","0.0007","90","","90","","90","","16031.9","1.1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C66 H70 O36 P2 Ti6 Zn2 -","- C66 H70 O36 P2 Ti6 Zn2 -","- C528 H560 O288 P16 Ti48 Zn16 -","8","0.5","","Zhang, Kai; Lin, Ping; Du, Shao-Wu","Facile and scalable synthesis of Ti<sub>6</sub>Mn<sub>2</sub> oxo-cluster nanocrystals with flower-like morphology and excellent photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2444","2451","10.1039/c9dt04886c","","","0.71073","MoKα","","0.0777","0.0734","","","0.1973","0.2005","","","","","","1.171","","","","has coordinates,has disorder","248911","2020-10-21","18:00:00",""
"7703359","7.1309","0.0004","13.7333","0.0008","21.9704","0.001","90","","90","","90","","2151.6","0.2","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Au F5 N Si -","- C21 H23 Au F5 N Si -","- C84 H92 Au4 F20 N4 Si4 -","4","1","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","0.71073","MoKα","","0.0297","0.0268","","","0.0575","0.0581","","","","","","1.008","","","","has coordinates","248962","2020-10-21","18:00:00",""
"7703360","7.151","0.0003","13.6446","0.0007","21.9432","0.0009","90","","90","","90","","2141.05","0.17","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 Au2 F9 N3 Si2 -","- C41 H46 Au2 F9 N3 Si2 -","- C82 H92 Au4 F18 N6 Si4 -","2","0.5","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","0.71073","MoKα","","0.0274","0.0247","","","0.0529","0.0535","","","","","","1.049","","","","has coordinates,has disorder","248962","2020-10-21","18:00:00",""
"7703361","7.2041","0.0001","13.5498","0.0002","21.864","0.0003","90","","90","","90","","2134.23","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Au F4 N2 Si -","- C20 H23 Au F4 N2 Si -","- C80 H92 Au4 F16 N8 Si4 -","4","1","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.085","0.0855","","","","","","1.065","","","","has coordinates","248962","2020-10-21","18:00:00",""
"7703362","10.60811","0.00017","7.66072","0.00012","16.1437","0.0003","90","","90","","90","","1311.93","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs2 Ge2 O14 U3 -","- Cs2 Ge2 O14 U3 -","- Cs8 Ge8 O56 U12 -","4","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.0205","0.0186","","","0.0451","0.0457","","","","","","1.085","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703363","7.4797","0.0004","9.9013","0.0006","10.1327","0.0007","70.179","0.006","89.046","0.005","86.24","0.005","704.43","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ge4 O20.5 Rb6 U3 -","- Ge4 O20.5 Rb6 U3 -","- Ge4 O20.5 Rb6 U3 -","1","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.1119","0.0591","","","0.1383","0.148","","","","","","0.927","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703364","7.45","0.0003","7.8701","0.0003","14.7132","0.0006","91.077","0.003","96.005","0.003","117.601","0.004","758.08","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs6 Ge8 O25 U2 -","- Cs6 Ge8 O25 U2 -","- Cs6 Ge8 O25 U2 -","1","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.041","0.0348","","","0.078","0.0816","","","","","","1.021","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703365","7.3647","0.0003","9.7768","0.0006","9.9186","0.0005","70.779","0.005","89.613","0.004","87.291","0.004","673.58","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Br F Ge4 K8 O20 U3 -","- Br F Ge4 K8 O20 U3 -","- Br F Ge4 K8 O20 U3 -","1","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.1251","0.0757","","","0.2056","0.2193","","","","","","1.074","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703366","10.288","0.0004","7.6612","0.0002","16.1444","0.0005","90","","90","","90","","1272.48","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge2 O14 Rb2 U3 -","- Ge2 O14 Rb2 U3 -","- Ge8 O56 Rb8 U12 -","4","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.0257","0.0189","","","0.0358","0.0374","","","","","","1.015","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703367","41.409","0.004","18.5246","0.0018","37.892","0.004","90","","122.16","0.002","90","","24607","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C164 H192 Ag12 F72 N64 P12 -","- C164 H191 Ag12 F71 N64 P12 -","- C656 H764 Ag48 F284 N256 P48 -","4","0.5","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.1165","0.0851","","","0.2198","0.2415","","","","","","1.096","","","","has coordinates","248929","2020-10-21","18:00:00",""
"7703368","18.895","0.0009","23.5495","0.0009","15.6257","0.0007","90","","93.532","0.005","90","","6939.7","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H67 Ag3 F18 N17 O P3 -","- C53 H67 Ag3 F18 N17 O P3 -","- C212 H268 Ag12 F72 N68 O4 P12 -","4","0.5","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.0821","0.0503","","","0.1216","0.1491","","","","","","1.018","","","","has coordinates,has disorder","248929","2020-10-21","18:00:00",""
"7703369","25.685","0.015","21.237","0.013","19.52","0.02","90","","124.195","0.007","90","","8807","12","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 Ag4 F30 N20 P4 -","- C60 H72 Ag4 F30 N20 P4 -","- C240 H288 Ag16 F120 N80 P16 -","4","0.5","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.091","0.0746","","","0.2073","0.2318","","","","","","1.044","","","","has coordinates","248929","2020-10-21","18:00:00",""
"7703370","13.876","0.008","25.304","0.014","15.283","0.008","90","","105.803","0.01","90","","5163","5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C75 H75 Ag6 F36 N21 O3 P6 -","- C75 H75 Ag6 F36 N21 O3 P6 -","- C150 H150 Ag12 F72 N42 O6 P12 -","2","1","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.0853","0.062","","","0.1506","0.1738","","","","","","1.033","","","","has coordinates","248929","2020-10-21","18:00:00",""
"7703371","6.6665","0.0002","11.1479","0.0002","13.8916","0.0003","101.979","0.002","100.011","0.002","95.717","0.002","984.61","0.04","100.03","0.1","100.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C5 H12 Cl8 S4 W2 -","- C5 H12 Cl8 S4 W2 -","- C10 H24 Cl16 S8 W4 -","2","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.058","0.0495","","","0.1182","0.1279","","","","","","1.177","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703372","6.7317","0.0003","6.9581","0.0003","7.1904","0.0003","108.981","0.004","98.845","0.004","114.33","0.004","273.54","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C4 H10 Cl3 O S2 W -","- C4 H10 Cl3 O S2 W -","- C4 H10 Cl3 O S2 W -","1","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.046","0.0452","","","0.1039","0.1045","","","","","","1.041","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703373","10.579","0.0002","13.9272","0.0003","17.2182","0.0004","90","","96.368","0.002","90","","2521.21","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl8 S4 W2 -","- C14 H14 Cl8 S4 W2 -","- C56 H56 Cl32 S16 W8 -","4","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0625","0.042","","","0.0711","0.0816","","","","","","0.968","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703374","6.7576","0.0004","7.3941","0.0004","12.42","0.0005","78.514","0.004","81.724","0.004","72.508","0.005","577.68","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C5 H12 Cl3 O S2 W -","- C5 H12 Cl3 O S2 W -","- C10 H24 Cl6 O2 S4 W2 -","2","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0558","0.05","","","0.1168","0.1207","","","","","","1.097","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703375","7.6849","0.0002","10.5079","0.0003","11.824","0.0004","90","","91.882","0.003","90","","954.3","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl8 S4 W2 -","- C4 H10 Cl8 S4 W2 -","- C8 H20 Cl16 S8 W4 -","2","0.5","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0597","0.0572","","","0.1476","0.1519","","","","","","1.113","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703376","10.7903","0.0002","8.8971","0.0001","12.1898","0.0002","90","","106.732","0.002","90","","1120.7","0.03","99.97","0.13","99.97","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl8 S4 W2 -","- C8 H18 Cl8 S4 W2 -","- C16 H36 Cl16 S8 W4 -","2","0.5","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0413","0.0391","","","0.0869","0.0884","","","","","","1.18","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703377","6.8758","0.0001","13.2588","0.0002","12.5782","0.0002","90","","94.541","0.002","90","","1143.09","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl3 S3 W -","- C4 H10 Cl3 S3 W -","- C16 H40 Cl12 S12 W4 -","4","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0432","0.0391","","","0.0748","0.0763","","","","","","1.085","","","","has coordinates,has disorder","248909","2020-10-21","18:00:00",""
"7703378","14.6494","0.0008","17.8655","0.0009","20.9791","0.0011","90","","100.535","0.0016","90","","5398.1","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Ga N4 O11 -","- C28 H21 Ga N4 O11 -","- C224 H168 Ga8 N32 O88 -","8","2","","Halevas, Eleftherios; Mavroidi, Barbara; Antonoglou, Orestis; Hatzidimitriou, Antonios; Sagnou, Marina; Pantazaki, Anastasia A.; Litsardakis, George; Pelecanou, Maria","Structurally characterized gallium-chrysin complexes with anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2734","2746","10.1039/c9dt04540f","","","0.71073","MoKα","","0.0511","0.0356","","0.0508","0.0465","0.0465","","","","","","0.9998","","","","has coordinates","248919","2020-10-21","18:00:00",""
"7703379","12.7573","0.0014","14.3437","0.0016","14.3865","0.0017","64.532","0.005","85.398","0.006","76.28","0.005","2308.2","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 Ga N6 O15 -","- C51 H39 Ga N6 O15 -","- C102 H78 Ga2 N12 O30 -","2","1","","Halevas, Eleftherios; Mavroidi, Barbara; Antonoglou, Orestis; Hatzidimitriou, Antonios; Sagnou, Marina; Pantazaki, Anastasia A.; Litsardakis, George; Pelecanou, Maria","Structurally characterized gallium-chrysin complexes with anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2734","2746","10.1039/c9dt04540f","","","0.71073","MoKα","","0.0832","0.0657","","0.0959","0.0912","0.0912","","","","","","0.9992","","","","has coordinates","248919","2020-10-21","18:00:00",""
"7703380","11.6736","0.001","12.6245","0.0009","14.172","0.0009","79.674","0.003","67.102","0.003","87.197","0.004","1892.3","0.2","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H34 Ga N5 O13.5 -","- C37.5 H34 Ga N5 O13.5 -","- C75 H68 Ga2 N10 O27 -","2","1","","Halevas, Eleftherios; Mavroidi, Barbara; Antonoglou, Orestis; Hatzidimitriou, Antonios; Sagnou, Marina; Pantazaki, Anastasia A.; Litsardakis, George; Pelecanou, Maria","Structurally characterized gallium-chrysin complexes with anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2734","2746","10.1039/c9dt04540f","","","0.71073","MoKα","","0.0729","0.0566","","0.1135","0.1016","0.1016","","","","","","1","","","","has coordinates","248919","2020-10-21","18:00:00",""
"7703381","10.71","0.002","17.59","0.004","11.29","0.002","90","","90","","90","","2126.9","0.7","263","2","263","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","NibpyfcdHp","","- C21 H22 Fe N2 Ni O5 P2 -","- C21 H22 Fe N2 Ni O5 P2 -","- C84 H88 Fe4 N8 Ni4 O20 P8 -","4","0.5","","Khrizanforova, Vera; Shekurov, Ruslan; Miluykov, Vasily; Khrizanforov, Mikhail; Bon, Volodymyr; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","3D Ni and Co redox-active metal-organic frameworks based on ferrocenyl diphosphinate and 4,4'-bipyridine ligands as efficient electrocatalysts for the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2794","2802","10.1039/c9dt04834k","","","0.88556","synchrotron","","0.0542","0.0426","","","0.1078","0.123","","","","","","1.234","","","","has coordinates,has disorder","248980","2020-10-21","18:00:00",""
"7703382","9.3675","0.0002","9.478","0.0002","15.8705","0.0003","100.326","0.002","92.661","0.002","99.07","0.002","1364.86","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N4 O6 Tb -","- C29 H29 N4 O6 Tb -","- C58 H58 N8 O12 Tb2 -","2","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.0252","0.0242","","","0.0858","0.0895","","","","","","0.793","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703383","10.9111","0.0002","12.2969","0.0002","19.3981","0.0003","104.16","0.002","93.82","0.002","110.125","0.002","2336.81","0.08","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H62 N4 O6 Tb -","- C47 H65 N4 O6 Tb -","- C94 H130 N8 O12 Tb2 -","2","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.0289","0.0244","","","0.0847","0.0946","","","","","","0.834","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703384","14.962","0.002","17.893","0.004","23.016","0.005","90","","95.821","0.015","90","","6130","2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H29 Gd N4 O6 -","- C29 H29 Gd N4 O6 -","- C232 H232 Gd8 N32 O48 -","8","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.1902","0.078","","","0.1285","0.1576","","","","","","0.906","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703385","13.4029","0.0002","15.2786","0.0002","26.4644","0.0004","90","","91.693","0.001","90","","5416.95","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 Gd N4 O6 -","- C47 H65 Gd N4 O6 -","- C188 H260 Gd4 N16 O24 -","4","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.0504","0.0337","","","0.1063","0.1236","","","","","","1.133","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703386","8.9559","0.0009","11.5794","0.0011","10.6239","0.0011","90","","114.012","0.005","90","","1006.4","0.18","200","2","200","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 Cl2 Mn N4 O2 -","- C20 H18 Cl2 Mn N4 O2 -","- C40 H36 Cl4 Mn2 N8 O4 -","2","0.5","","Zhang, Guoqi; Zeng, Haisu; Li, Sihan; Johnson, Jahvon; Mo, Zixuan; Neary, Michelle C.; Zheng, Shengping","1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2610","2615","10.1039/c9dt04637b","","","1.54178","CuKα","","0.0692","0.0557","","","0.1286","0.14","","","","","","1.074","","","","has coordinates","248914","2020-10-21","18:00:00",""
"7703387","8.8113","0.0002","10.2327","0.0003","11.4867","0.0003","95.176","0.001","91.449","0.001","94.407","0.001","1027.87","0.05","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 Mn N4 O -","- C21 H18 Br2 Mn N4 O -","- C42 H36 Br4 Mn2 N8 O2 -","2","1","","Zhang, Guoqi; Zeng, Haisu; Li, Sihan; Johnson, Jahvon; Mo, Zixuan; Neary, Michelle C.; Zheng, Shengping","1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2610","2615","10.1039/c9dt04637b","","","0.71073","MoKα","","0.0535","0.0328","","","0.0667","0.0726","","","","","","1.037","","","","has coordinates","248914","2020-10-21","18:00:00",""
"7703388","8.8381","0.0002","10.1859","0.0002","17.7667","0.0004","101.621","0.002","94.5","0.002","113.037","0.003","1419.59","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cd N4 O9 -","- C29 H30 Cd N4 O9 -","- C58 H60 Cd2 N8 O18 -","2","1","","Liu, Jian-Jun; Xia, Shu-Biao; Que, Qi-Tao; Suo, Hongbo; Liu, Jiaming; Shen, Xiang; Cheng, Fei-Xiang","Naphthalimide-containing coordination polymer with mechanoresponsive luminescence and excellent metal ion sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3174","3180","10.1039/c9dt04928b","","","0.71073","MoKα","","0.0254","0.0236","","","0.0599","0.0607","","","","","","1.038","","","","has coordinates","250275","2020-10-21","18:00:00",""
"7703389","22.063","0.004","9.969","0.002","24.523","0.005","90","","90","","90","","5393.7","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Y2 -","- C58 H50 N8 O10 Y2 -","- C232 H200 N32 O40 Y8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.1152","0.0826","","","0.2071","0.2309","","","","","","1.073","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703390","9.4103","0.0019","11.313","0.002","11.787","0.002","85.53","0.03","68.11","0.03","67.45","0.03","1072.2","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Dy2 N8 O10 -","- C40 H46 Dy2 N8 O10 -","- C40 H46 Dy2 N8 O10 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0299","0.0262","","","0.0597","0.0613","","","","","","1.072","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703391","22.114","0.004","9.879","0.002","24.526","0.005","90","","90","","90","","5358.1","1.8","113","2","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Ho2 N8 O10 -","- C58 H50 Ho2 N8 O10 -","- C232 H200 Ho8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0506","0.0338","","","0.0677","0.0745","","","","","","1.118","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703392","22.018","0.004","9.815","0.002","24.552","0.005","90","","90","","90","","5305.9","1.8","113","2","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Yb2 -","- C58 H50 N8 O10 Yb2 -","- C232 H200 N32 O40 Yb8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.1002","0.0833","","","0.1397","0.1455","","","","","","1.301","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703393","9.407","0.0019","11.3","0.002","11.706","0.002","85.25","0.03","68.2","0.03","67.24","0.03","1062.7","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Er2 N8 O10 -","- C40 H46 Er2 N8 O10 -","- C40 H46 Er2 N8 O10 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0277","0.0257","","","0.0653","0.0709","","","","","","1.002","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703394","22.133","0.004","9.924","0.002","24.477","0.005","90","","90","","90","","5376.3","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Tb2 -","- C58 H50 N8 O10 Tb2 -","- C232 H200 N32 O40 Tb8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0489","0.0359","","","0.0851","0.0908","","","","","","1.047","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703395","9.201","0.0018","10.889","0.002","12.038","0.002","73.38","0.03","85.05","0.03","86.6","0.03","1150.6","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Dy2 F6 N8 O12 -","- C40 H44 Dy2 F6 N8 O12 -","- C40 H44 Dy2 F6 N8 O12 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0345","0.0298","","","0.0745","0.0875","","","","","","1.098","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703396","22.064","0.004","9.869","0.002","24.538","0.005","90","","90","","90","","5343.1","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Er2 N8 O10 -","- C58 H50 Er2 N8 O10 -","- C232 H200 Er8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.061","0.0412","","","0.0897","0.0979","","","","","","1.09","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703397","10.583","0.002","11.808","0.002","12.599","0.003","113.07","0.03","104.13","0.03","102.28","0.03","1318.1","0.7","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H38 Cl4 Dy2 F6 N8 O10 S2 -","- C46 H40 Cl4 Dy2 F6 N8 O10 S2 -","- C46 H40 Cl4 Dy2 F6 N8 O10 S2 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.044","0.0386","","","0.1105","0.1387","","","","","","1.088","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703398","21.973","0.004","9.826","0.002","24.585","0.005","90","","90","","90","","5308.1","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Lu2 N8 O10 -","- C58 H50 Lu2 N8 O10 -","- C232 H200 Lu8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.063","0.0548","","","0.176","0.1889","","","","","","1.051","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703399","29.085","0.002","13.0294","0.001","17.112","0.0013","90","","115.843","0.006","90","","5836.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N6 O7 Zn -","- C29 H26 N6 O7 Zn -","- C232 H208 N48 O56 Zn8 -","8","1","","Parsekar, Sidhali U.; Velankanni, Priyanka; Sridhar, Shruti; Haldar, Paramita; Mate, Nayan A.; Banerjee, Arnab; Sudhadevi Antharjanam, P. K.; Koley, Aditya P.; Kumar, Manjuri","Protein binding studies with human serum albumin, molecular docking and in vitro cytotoxicity studies using HeLa cervical carcinoma cells of Cu(ii)/Zn(ii) complexes containing a carbohydrazone ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2947","2965","10.1039/c9dt04656a","","","0.71073","MoKα","","0.2563","0.0946","","","0.2251","0.3571","","","","","","1.011","","","","has coordinates","248985","2020-10-21","18:00:00",""
"7703400","11.207","0.0003","12.5604","0.0004","13.5908","0.0004","71.015","0.002","67.784","0.002","70.936","0.002","1628.81","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 B2 Co F8 N7 O0 -","- C31 H31 B2 Co F8 N7 -","- C62 H62 B4 Co2 F16 N14 -","2","1","","Yi, Gangji; Cui, Huihui; Zhang, Chunyang; Zhao, Wen; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Song, You; Yuan, Aihua","A capped trigonal prismatic cobalt(ii) complex as a structural archetype for single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2063","2067","10.1039/c9dt04881b","","","0.71073","MoKα","","0.063","0.0428","","","0.1012","0.1144","","","","","","1.018","","","","has coordinates","248958","2020-10-21","18:00:00",""
"7703401","11.5246","0.0008","12.2303","0.0009","14.0274","0.0011","111.348","0.004","97.401","0.004","111.538","0.004","1632.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Cl2 Fe N7 O8 -","- C31 H31 Cl2 Fe N7 O8 -","- C62 H62 Cl4 Fe2 N14 O16 -","2","1","","Yi, Gangji; Cui, Huihui; Zhang, Chunyang; Zhao, Wen; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Song, You; Yuan, Aihua","A capped trigonal prismatic cobalt(ii) complex as a structural archetype for single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2063","2067","10.1039/c9dt04881b","","","0.71073","MoKα","","0.0852","0.0553","","","0.1601","0.1985","","","","","","1.059","","","","has coordinates","248958","2020-10-21","18:00:00",""
"7703402","20.0498","0.0011","24.3323","0.0011","25.4119","0.0012","89.231","0.002","72.661","0.002","80.351","0.002","11657.8","1","150","2","150","","","","","","","","","10","P -1","-P 1","2","","","","- C24 H36 As4 Cl6 K N36 Na O154 Ru6 W42 -","- C24 H36 As4 Cl6 K N36 Na O154 Ru6 W42 -","- C48 H72 As8 Cl12 K2 N72 Na2 O308 Ru12 W84 -","2","1","","Li, Huafeng; He, Peipei; Wan, Rong; Zou, Yan; Zhao, Xue; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Trinuclear ruthenium core-containing polyoxometalate-based hybrids: preparation, characterization and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2895","2904","10.1039/c9dt04616j","","","0.71073","MoKα","","0.1335","0.1042","","","0.2754","0.3173","","","","","","1.134","","","","has coordinates,has disorder","248978","2020-10-21","18:00:00",""
"7703403","18.3691","0.0005","18.389","0.0006","22.2929","0.0006","90","","108.358","0.0012","90","","7147.1","0.4","150","2","149.98","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 As2 Cl6 N36 O76 Ru6 W21 -","- C24 H36 As2 Cl6 N36 O76 Ru6 W21 -","- C48 H72 As4 Cl12 N72 O152 Ru12 W42 -","2","0.5","","Li, Huafeng; He, Peipei; Wan, Rong; Zou, Yan; Zhao, Xue; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Trinuclear ruthenium core-containing polyoxometalate-based hybrids: preparation, characterization and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2895","2904","10.1039/c9dt04616j","","","0.71073","MoKα","","0.0983","0.0735","","","0.1913","0.2175","","","","","","1.025","","","","has coordinates","248978","2020-10-21","18:00:00",""
"7703404","11.687","0.002","18.89","0.004","18.77","0.004","90","","98.27","0.03","90","","4100.7","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H104 O P2 S6 Si6 Zn2 -","- C70 H104 O P2 S6 Si6 Zn2 -","- C140 H208 O2 P4 S12 Si12 Zn4 -","2","0.5","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2517","2526","10.1039/c9dt04144c","","","0.71073","MoKα","","0.0385","0.0284","","","0.0649","0.069","","","","","","1.014","","","","has coordinates,has disorder","248926","2020-10-21","18:00:00",""
"7703405","12.1418","0.0007","16.0663","0.0009","22.2417","0.0013","110.185","0.002","99.2","0.002","94.62","0.002","3976.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 P S3 Si3 Sn -","- C33 H47 P S3 Si3 Sn -","- C132 H188 P4 S12 Si12 Sn4 -","4","2","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2517","2526","10.1039/c9dt04144c","","","0.71073","MoKα","","0.0386","0.0304","","","0.0637","0.0669","","","","","","1.075","","","","has coordinates,has disorder","248926","2020-10-21","18:00:00",""
"7703406","12.36","0.006","12.641","0.006","14.29","0.007","104.645","0.014","108.529","0.013","105.841","0.014","1890.2","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H94 P2 Se6 Si6 Zn2 -","- C66 H94 P2 Se6 Si6 Zn2 -","- C66 H94 P2 Se6 Si6 Zn2 -","1","0.5","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2517","2526","10.1039/c9dt04144c","","","0.71073","MoKα","","0.0426","0.0285","","","0.0547","0.0585","","","","","","1.016","","","","has coordinates,has disorder","248926","2020-10-21","18:00:00",""
"7703407","9.181","0.0003","11.4645","0.0004","20.7463","0.0007","90","","90","","90","","2183.66","0.13","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C27 H38 Ti -","- C27 H38 Ti -","- C108 H152 Ti4 -","4","0.5","","Fischer, Malte; Vincent-Heldt, Lisa; Hillje, Malena; Schmidtmann, Marc; Beckhaus, Ruediger","Synthesis of a titanium ethylene complex via C-H-activation and alternative access to Cp<sub>2</sub>Ti(η<sup>2</sup>-Me<sub>3</sub>SiC<sub>2</sub>SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2068","2072","10.1039/d0dt00237b","","","0.71073","MoKα","","0.0626","0.0438","","","0.1112","0.1238","","","","","","1.039","","","","has coordinates,has disorder","248959","2020-10-21","18:00:00",""
"7703408","11.3854","0.0003","12.8121","0.0003","21.3362","0.0005","90","","90","","90","","3112.33","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H52 Si2 Ti -","- C33 H52 Si2 Ti -","- C132 H208 Si8 Ti4 -","4","1","","Fischer, Malte; Vincent-Heldt, Lisa; Hillje, Malena; Schmidtmann, Marc; Beckhaus, Ruediger","Synthesis of a titanium ethylene complex via C-H-activation and alternative access to Cp<sub>2</sub>Ti(η<sup>2</sup>-Me<sub>3</sub>SiC<sub>2</sub>SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2068","2072","10.1039/d0dt00237b","","","0.71073","MoKα","","0.0205","0.0193","","","0.0542","0.055","","","","","","1.064","","","","has coordinates","248959","2020-10-21","18:00:00",""
"7703409","24.1194","0.0003","9.1793","0.0001","23.3012","0.0004","90","","113.303","0.002","90","","4738.04","0.13","100.01","0.11","100.01","0.11","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 I Ir N2 S3 -","- C23 H24 I Ir N2 S3 -","- C184 H192 I8 Ir8 N16 S24 -","8","2","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.113","0.125","","","","","","1.044","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703410","24.41","0.002","9.286","0.001","23.474","0.002","90","","113.725","0.005","90","","4871.2","0.8","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 I N2 Rh S3 -","- C23 H24 I N2 Rh S3 -","- C184 H192 I8 N16 Rh8 S24 -","8","1","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","","0.71073","MoKα","","0.1151","0.0542","","","0.1185","0.1394","","","","","","1.026","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703411","24.1194","0.0003","9.1793","0.0001","23.3012","0.0004","90","","113.303","0.002","90","","4738.04","0.13","100.01","0.11","100.01","0.11","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 I Ir N2 S3 -","- C23 H24 I Ir N2 S3 -","- C184 H192 I8 Ir8 N16 S24 -","8","2","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.1132","0.1252","","","","","","1.045","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703412","24.425","0.002","9.2985","0.0008","23.526","0.002","90","","113.778","0.004","90","","4889.6","0.7","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 I Ir N2 S3 -","- C22.96 H24 I Ir N2 S3 -","- C183.68 H192 I8 Ir8 N16 S24 -","8","1","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","","0.71073","MoKα","","0.0571","0.0316","","","0.067","0.0738","","","","","","1.03","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703413","12.7257","0.0003","14.9871","0.0003","15.3105","0.0003","60.9714","0.0006","80.3094","0.0007","68.9999","0.0006","2383.58","0.09","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H55 F4 Ir N5 O2 -","- C44 H34 F4 Ir N5 O2 -","- C88 H68 F8 Ir2 N10 O4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Kozhevnikov, Valery N.; Siddle, Jamie S.; O'Driscoll, Luke J; Fox, Mark A.; Batsanov, Andrei S.; Griffiths, Gareth C.; Dias, Fernando B.; Monkman, Andrew P.; Bryce, Martin R.","Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2190","2208","10.1039/c9dt04672k","","x-ray","0.71073","MoKα","","0.0322","0.0264","","","0.0676","0.07","","","","","","1.064","","","","has coordinates","248960","2020-10-21","18:00:00",""
"7703414","10.0759","0.0005","16.3073","0.0008","17.9412","0.0008","89.3872","0.0015","76.798","0.0014","89.1792","0.0015","2869.6","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H34 Cl12 D4 F4 Ir N5 O2 -","- C52 H34 Cl12 D4 F4 Ir N5 O2 -","- C104 H68 Cl24 D8 F8 Ir2 N10 O4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Kozhevnikov, Valery N.; Siddle, Jamie S.; O'Driscoll, Luke J; Fox, Mark A.; Batsanov, Andrei S.; Griffiths, Gareth C.; Dias, Fernando B.; Monkman, Andrew P.; Bryce, Martin R.","Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2190","2208","10.1039/c9dt04672k","","x-ray","0.71073","MoKα","","0.0547","0.0361","","","0.073","0.0774","","","","","","0.983","","","","has coordinates,has disorder","248960","2020-10-21","18:00:00",""
"7703415","49.022","0.004","11.4685","0.0009","25.848","0.003","90","","120.087","0.005","90","","12574","2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H94 Co N4 P3 Si Zr -","- C55 H94 Co N4 P3 Si Zr -","- C440 H752 Co8 N32 P24 Si8 Zr8 -","8","1","","Beattie, Jeffrey W.; Wang, Canning; Zhang, Hongtu; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Dimerization of terminal alkynes promoted by a heterobimetallic Zr/Co complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2407","2411","10.1039/d0dt00334d","","","0.71073","MoKα","","0.1314","0.107","","","0.2162","0.2274","","","","","","1.181","","","","has coordinates,has disorder","248927","2020-10-21","18:00:00",""
"7703416","12.0196","0.0009","34.104","0.003","13.9512","0.0009","90","","97.923","0.002","90","","5664.2","0.7","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H87 Co N3 P3 Zr -","- C61 H87 Co N3 P3 Zr -","- C244 H348 Co4 N12 P12 Zr4 -","4","1","","Beattie, Jeffrey W.; Wang, Canning; Zhang, Hongtu; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Dimerization of terminal alkynes promoted by a heterobimetallic Zr/Co complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2407","2411","10.1039/d0dt00334d","","","0.71073","MoKα","","0.1064","0.0502","","0.0912","0.0731","0.0912","","","","","","1.0049","","","","has coordinates","248927","2020-10-21","18:00:00",""
"7703417","10.6498","0.0012","12.2814","0.0014","13.1786","0.0016","75.85","0.005","83.335","0.005","66.493","0.005","1532.3","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl Co N4 O7 -","- C32 H29 Cl Co N4 O7 -","- C64 H58 Cl2 Co2 N8 O14 -","2","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.053","0.0499","","","0.1598","0.1651","","","","","","1.236","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703418","13.263","0.002","14.74","0.003","15.25","0.005","102.166","0.006","100.967","0.006","113.879","0.004","2535.1","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 B Co N6 O4 -","- C48 H36 B Co N6 O4 -","- C96 H72 B2 Co2 N12 O8 -","2","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.0722","0.0536","","","0.0892","0.0912","","","","","","1.963","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703419","7.756","0.004","13.155","0.007","14.905","0.008","93.131","0.011","103.969","0.011","90.799","0.012","1473","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl Co N5 O8 -","- C27 H25 Cl Co N5 O7.99 -","- C54 H50 Cl2 Co2 N10 O15.98 -","2","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.0803","0.0603","","","0.1601","0.1724","","","","","","1.068","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703420","31.55","0.003","12.8484","0.0011","23.58","0.002","90","","109.541","0.002","90","","9008","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H43 B Co N4 O2 -","- C49 H43 B Co N4 O2 -","- C392 H344 B8 Co8 N32 O16 -","8","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.0462","0.0348","","","0.0819","0.0858","","","","","","1.051","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703421","16.4332","0.0017","18.9379","0.0019","18.6337","0.0019","90","","113.438","0.001","90","","5320.5","0.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Cl4 Co2 N10 O18 -","- C40 H42 Cl4 Co2 N10 O18 -","- C160 H168 Cl16 Co8 N40 O72 -","4","0.5","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.071","0.0561","","","0.1106","0.1152","","","","","","1.266","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703422","11.6649","0.0004","11.6649","0.0004","27.3173","0.001","90","","90","","120","","3219.1","0.2","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Co15 F2 O42 Te14 -","- Co15 F2 O42 Te14 -","- Co45 F6 O126 Te42 -","3","0.166667","","Lü, Minfeng; Jiang, Jianhua; Zhu, Bei; Zhao, Yuwei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Kabbour, Houria; Choi, Kwang-Yong; Harrison, William T. A.","Lone-pair self-containment in pyritohedron-shaped closed cavities: optimized hydrothermal synthesis, structure, magnetism and lattice thermal conductivity of Co<sub>15</sub>F<sub>2</sub>(TeO<sub>3</sub>)<sub>14</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2234","2243","10.1039/c9dt04176a","","","0.71073","MoKα","","0.0252","0.0223","","","0.0445","0.0453","","","","","","1.179","","","","has coordinates","248966","2020-10-21","18:00:00",""
"7703423","4.53","0.001","12.61","0.003","14.68","0.003","107.85","0.03","93.47","0.03","98.1","0.03","785.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","phenyl viologen lead (II) iodide","","- C11 H9 I3 N Pb -","- C11 H9 I3 N Pb -","- C22 H18 I6 N2 Pb2 -","2","1","","Latini, Alessandro; Quaranta, Simone; Menchini, Francesca; Lisi, Nicola; Di Girolamo, Diego; Tarquini, Ombretta; Colapietro, Marcello; Barba, Luisa; Demitri, Nicola; Cassetta, Alberto","A novel water-resistant and thermally stable black lead halide perovskite, phenyl viologen lead iodide C<sub>22</sub>H<sub>18</sub>N<sub>2</sub>(PbI<sub>3</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2616","2627","10.1039/c9dt04148f","","","0.7","Synchrotron","","0.0948","0.0915","","","0.2671","0.2697","","","","","","1.059","","","","has coordinates","248924","2020-10-21","18:00:00",""
"7703424","8.7017","0.0003","27.6498","0.001","11.5771","0.0004","90","","104.557","0.002","90","","2696.03","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 2","Mg(OR)(sec-Bu)(THF)2","","- C27 H47.25 Mg O3 -","- C27 H48 Mg O3 -","- C108 H192 Mg4 O12 -","4","1","","Wannipurage, Duleeka; Hollingsworth, Thilini S.; Santulli, Federica; Cozzolino, Mariachiara; Lamberti, Marina; Groysman, Stanislav; Mazzeo, Mina","Synthesis of a mononuclear magnesium bis(alkoxide) complex and its reactivity in the ring-opening copolymerization of cyclic anhydrides with epoxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2715","2723","10.1039/c9dt04274a","","","0.71073","MoKα","","0.0712","0.0496","","","0.1218","0.1344","","","","","","1.014","","","","has coordinates,has disorder","248921","2020-10-21","18:00:00",""
"7703425","21.017","0.002","36.775","0.004","9.2521","0.001","90","","90","","90","","7150.9","1.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","compound 1","Mg(OR)2(THF)2","","- C19 H31 Mg0.5 O2 -","- C19 H31 Mg0.5 O2 -","- C304 H496 Mg8 O32 -","16","1","","Wannipurage, Duleeka; Hollingsworth, Thilini S.; Santulli, Federica; Cozzolino, Mariachiara; Lamberti, Marina; Groysman, Stanislav; Mazzeo, Mina","Synthesis of a mononuclear magnesium bis(alkoxide) complex and its reactivity in the ring-opening copolymerization of cyclic anhydrides with epoxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2715","2723","10.1039/c9dt04274a","","","0.71073","MoKα","","0.1009","0.0525","","","0.0917","0.1065","","","","","","1.004","","","","has coordinates","248921","2020-10-21","18:00:00",""
"7703426","5.2488","0.0003","5.2488","0.0003","22.702","0.0014","90","","90","","120","","541.65","0.06","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C Mn3 O11 Rb2 V2 -","- C Mn3 O11 Rb2 V2 -","- C2 Mn6 O22 Rb4 V4 -","2","0.166667","","Smith Pellizzeri, Tiffany M.; Sanjeewa, Liurukara D.; Pellizzeri, Steven; McMillen, Colin D.; Garlea, V. Ovidiu; Ye, Feng; Sefat, Athena S.; Kolis, Joseph W.","Single crystal neutron and magnetic measurements of Rb<sub>2</sub>Mn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> and K<sub>2</sub>Co<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> with mixed honeycomb and triangular magnetic lattices.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4323","4335","10.1039/c9dt03389k","","","0.71073","MoKα","","0.04","0.0299","","","0.0667","0.0701","","","","","","1.18","","","","has coordinates","251647","2020-10-21","18:00:00",""
"7703427","5.0931","0.0002","5.0931","0.0002","22.1551","0.0013","90","","90","","120","","497.7","0.04","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C Co3 K2 O11 V2 -","- C Co3 K2 O11 V2 -","- C2 Co6 K4 O22 V4 -","2","0.166667","","Smith Pellizzeri, Tiffany M.; Sanjeewa, Liurukara D.; Pellizzeri, Steven; McMillen, Colin D.; Garlea, V. Ovidiu; Ye, Feng; Sefat, Athena S.; Kolis, Joseph W.","Single crystal neutron and magnetic measurements of Rb<sub>2</sub>Mn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> and K<sub>2</sub>Co<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> with mixed honeycomb and triangular magnetic lattices.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4323","4335","10.1039/c9dt03389k","","","0.71073","MoKα","","0.0346","0.0327","","","0.0879","0.0895","","","","","","1.127","","","","has coordinates","251647","2020-10-21","18:00:00",""
"7703428","17.565","0.01","17.565","0.01","17.565","0.01","90","","90","","90","","5419","5","100","","100","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- O39 S W11 -","- O39.0004 S W11.0004 -","- O78.0008 S2 W22.0008 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0934","0.0931","","","0.2188","0.2189","","","","","","1.282","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703429","17.747","0.014","17.747","0.014","17.747","0.014","90","","90","","90","","5590","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ni O39 S W11 -","- Ni0.9996 O39.0004 S W10.998 -","- Ni1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0495","0.0489","","","0.1147","0.1151","","","","","","1.134","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703430","17.805","0.014","17.805","0.014","17.805","0.014","90","","90","","90","","5645","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cu O39 S W11 -","- Cu0.9996 O39.0004 S W10.998 -","- Cu1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0373","0.0362","","","0.0859","0.0866","","","","","","1.03","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703431","17.854","0.014","17.854","0.014","17.854","0.014","90","","90","","90","","5691","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Co O39 S W11 -","- Co0.9996 O39.0004 S W10.998 -","- Co1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0419","0.0417","","","0.1054","0.1056","","","","","","1.084","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703432","17.864","0.016","17.864","0.016","17.864","0.016","90","","90","","90","","5701","9","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Mn O39 S W11 -","- Mn0.9996 O39.0004 S W10.998 -","- Mn1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0753","0.0726","","","0.1739","0.1755","","","","","","1.211","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703433","9.471","0.003","9.9463","0.0013","18.892","0.004","89.006","0.015","89.266","0.019","79.674","0.015","1750.5","0.7","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 P4 Ru -","- C30 H54 P4 Ru -","- C60 H108 P8 Ru2 -","2","1","","Naik, Surabhi; Scottwell, Synøve Ø; Li, Hsiu L.; Leong, Chanel F.; D'Alessandro, Deanna M; Field, Leslie D.","Dinuclear acetylide-bridged ruthenium(ii) complexes with rigid non-aromatic spacers.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2687","2695","10.1039/c9dt04856a","","","0.71073","MoKα","","0.0733","0.055","","","0.1333","0.1504","","","","","","1.181","","","","has coordinates","248908","2020-10-21","18:00:00",""
"7703434","9.0326","0.0008","9.5696","0.0007","17.8617","0.0018","80.212","0.003","87.485","0.004","76.091","0.004","1476.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H92 B10 P8 Ru2 -","- C42 H92 B10 P8 Ru2 -","- C42 H92 B10 P8 Ru2 -","1","0.5","","Naik, Surabhi; Scottwell, Synøve Ø; Li, Hsiu L.; Leong, Chanel F.; D'Alessandro, Deanna M; Field, Leslie D.","Dinuclear acetylide-bridged ruthenium(ii) complexes with rigid non-aromatic spacers.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2687","2695","10.1039/c9dt04856a","","","0.71073","MoKα","","0.0896","0.0577","","","0.1393","0.1589","","","","","","1.006","","","","has coordinates","248908","2020-10-21","18:00:00",""
"7703435","12.343","0.002","13.014","0.002","14.456","0.003","106.14","0.003","97.91","0.003","111.844","0.003","1993.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H62 Al2 Co3 Mo12 N6 O70 -","- C24 H18 Al2 Co3 Mo12 N6 O64 -","- C24 H18 Al2 Co3 Mo12 N6 O64 -","1","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0868","0.0472","","","0.1053","0.1169","","","","","","0.924","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703436","15.0632","0.0007","11.1922","0.0006","24.2976","0.0012","90","","107.059","0.001","90","","3916.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 Cr2 Mo12 N6 O70 Zn4 -","- C24 H16 Cr2 Mo12 N6 O66 Zn4 -","- C48 H32 Cr4 Mo24 N12 O132 Zn8 -","2","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0844","0.0637","","","0.1997","0.2128","","","","","","1.095","","","","has coordinates,has disorder","247554","2020-10-21","18:00:00",""
"7703437","26.252","0.003","9.8285","0.001","25.469","0.003","90","","117.799","0.005","90","","5813","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Al Cu3 Mo6 N6 O42 -","- C24 H16 Al Cu3 Mo6 N6 O36 -","- C96 H64 Al4 Cu12 Mo24 N24 O144 -","4","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0704","0.0512","","","0.1497","0.1601","","","","","","1.048","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703438","26.0599","0.0013","9.7982","0.0004","24.9355","0.0012","90","","117.296","0.001","90","","5658.1","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Cr Mo6 N6 O42 Zn3 -","- C24 H16 Cr Mo6 N6 O36 Zn3 -","- C96 H64 Cr4 Mo24 N24 O144 Zn12 -","4","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0466","0.0418","","","0.1268","0.1301","","","","","","1.044","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703439","5.873","0.002","10.453","0.003","17.204","0.005","92.808","0.007","95.027","0.007","103.268","0.007","1021.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cr Cu Mo6 N6 O32 -","- C24 H16 Cr Cu Mo6 N6 O32 -","- C24 H16 Cr Cu Mo6 N6 O32 -","1","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71069","MoKα","","0.1399","0.1","","","0.281","0.3053","","","","","","1.052","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703440","25.692","0.009","9.778","0.005","24.373","0.005","90","","116.606","0.012","90","","5475","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 Mo3 N3 Ni2 O22 -","- C12 H8 Mo3 N3 Ni2 O18 -","- C96 H64 Mo24 N24 Ni16 O144 -","8","1","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71069","MoKα","","0.137","0.091","","","0.2356","0.26","","","","","","0.973","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703441","33.4606","0.0014","17.0002","0.0004","17.9715","0.0009","90","","120.104","0.006","90","","8844","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H56 Cl2 N8 O3 Ru S2 -","- C31 H56 Cl2 N8 O3 Ru S2 -","- C248 H448 Cl16 N64 O24 Ru8 S16 -","8","1","","Fandzloch, Marzena; Jaromin, Anna; Zaremba-Czogalla, Magdalena; Wojtczak, Andrzej; Lewińska, Agnieszka; Sitkowski, Jerzy; Wiśniewska, Joanna; Łakomska, Iwona; Gubernator, Jerzy","Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1207","1219","10.1039/c9dt03464a","","","0.71073","MoKα","","0.1047","0.0522","","","0.1396","0.1588","","","","","","0.967","","","","has coordinates","247555","2020-10-21","18:00:00",""
"7703442","8.7701","0.0007","21.7923","0.0015","15.5674","0.001","90","","99.426","0.007","90","","2935.1","0.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H36 Cl2 N8 O2 Ru S2 -","- C22 H36 Cl2 N8 O2 Ru S2 -","- C88 H144 Cl8 N32 O8 Ru4 S8 -","4","1","","Fandzloch, Marzena; Jaromin, Anna; Zaremba-Czogalla, Magdalena; Wojtczak, Andrzej; Lewińska, Agnieszka; Sitkowski, Jerzy; Wiśniewska, Joanna; Łakomska, Iwona; Gubernator, Jerzy","Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1207","1219","10.1039/c9dt03464a","","","0.71073","MoKα","","0.1098","0.0588","","","0.1206","0.1492","","","","","","1.012","","","","has coordinates,has disorder","247555","2020-10-21","18:00:00",""
"7703443","14.7951","0.0004","11.7116","0.0003","15.554","0.0004","90","","105.289","0.003","90","","2599.72","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H34 Cl2 N4 O3.5 Ru S3 -","- C16.5 H34 Cl2 N4 O3.5 Ru S3 -","- C66 H136 Cl8 N16 O14 Ru4 S12 -","4","1","","Fandzloch, Marzena; Jaromin, Anna; Zaremba-Czogalla, Magdalena; Wojtczak, Andrzej; Lewińska, Agnieszka; Sitkowski, Jerzy; Wiśniewska, Joanna; Łakomska, Iwona; Gubernator, Jerzy","Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1207","1219","10.1039/c9dt03464a","","","0.71073","MoKα","","0.0402","0.0306","","","0.0825","0.0861","","","","","","1.046","","","","has coordinates","247555","2020-10-21","18:00:00",""
"7703444","9.2984","0.001","12.1013","0.0013","12.2378","0.0013","82.298","0.009","68.456","0.01","70.1","0.01","1204.3","0.2","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","(TolTr)2PdCl2","AS868","","- C22 H30 Cl2 N6 Pd -","- C22 H30 Cl2 N6 Pd -","- C44 H60 Cl4 N12 Pd2 -","2","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.1062","0.0935","","","0.2469","0.2614","","","","","","1.094","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703445","8.1628","0.0004","8.4628","0.0004","12.1951","0.0006","98.576","0.004","106.738","0.004","90.52","0.004","796.52","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Cl2 N6 O4 Pd -","- C28 H38 Cl2 N6 O4 Pd -","- C28 H38 Cl2 N6 O4 Pd -","1","0.5","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0365","0.0354","","","0.0926","0.0937","","","","","","1.061","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703446","8.8991","0.0005","10.8721","0.001","11.4526","0.0009","117.321","0.009","91.458","0.006","97.837","0.006","970.37","0.15","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 F3 N3 O5 S -","- C15 H20 F3 N3 O5 S -","- C30 H40 F6 N6 O10 S2 -","2","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0627","0.0449","","","0.1093","0.123","","","","","","1.033","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703447","8.0352","0.0003","25.0842","0.0006","8.619","0.0003","90","","94.1","0.003","90","","1732.77","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 F3 N3 O3 S -","- C13 H20 F3 N3 O3 S -","- C52 H80 F12 N12 O12 S4 -","4","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0637","0.044","","","0.1104","0.124","","","","","","1.046","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703448","18.904","0.0006","16.3612","0.0006","19.3108","0.0005","90","","90","","90","","5972.7","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H19 B F15 N3 -","- C30 H19 B F15 N3 -","- C240 H152 B8 F120 N24 -","8","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0643","0.0554","","","0.1445","0.151","","","","","","1.056","","","","has coordinates,has disorder","248969","2020-10-21","18:00:00",""
"7703449","19.1659","0.0005","18.1081","0.0005","35.2711","0.0011","90","","90","","90","","12241.1","0.6","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 B F15 N3 -","- C30 H23 B F15 N3 -","- C480 H368 B16 F240 N48 -","16","2","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0854","0.0532","","","0.1222","0.1374","","","","","","1.016","","","","has coordinates,has disorder","248969","2020-10-21","18:00:00",""
"7703450","11.051","0.00019","10.81512","0.00018","15.9625","0.0003","90","","102.277","0.0016","90","","1864.18","0.06","139.98","0.11","139.98","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F3 N3 O4 S -","- C13 H24 F3 N3 O4 S -","- C52 H96 F12 N12 O16 S4 -","4","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.049","0.0478","","","0.1256","0.1265","","","","","","1.068","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703451","24.55","0.0004","10.6232","0.0002","14.7279","0.0003","90","","96.42","0.002","90","","3816.94","0.12","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H25 Cl6 O6 Ru -","- C39 H25 Cl6 O6 Ru -","- C156 H100 Cl24 O24 Ru4 -","4","0.5","","Yoshida, Jun; Tateyama, Kazunori; Yuge, Hidetaka","Tris(tropolonato) ruthenium as a hub for connecting π-conjugated systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2102","2111","10.1039/c9dt04860j","","x-ray","1.54184","CuKα","","0.0848","0.0795","","","0.212","0.2199","","","","","","1.035","","","","has coordinates","248975","2020-10-21","18:00:00",""
"7703452","9.2218","0.0003","14.4491","0.0004","14.5213","0.0004","90","","90","","90","","1934.92","0.1","250","2","250.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H36 B3 Dy O3 -","- C12 H36 B3 Dy O3 -","- C48 H144 B12 Dy4 O12 -","4","0.5","","Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen","Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3222","3227","10.1039/d0dt00011f","","","0.71073","MoKα","","0.0349","0.0253","","","0.0746","0.0833","","","","","","1.139","","","","has coordinates","250282","2020-10-21","18:00:00",""
"7703453","11.208","0.004","18.045","0.006","20.555","0.007","90","","101.305","0.004","90","","4077","2","250","2","250.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 B4 Dy Na O14 -","- C80 H112 B4 Dy Na O14 -","- C160 H224 B8 Dy2 Na2 O28 -","2","0.5","","Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen","Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3222","3227","10.1039/d0dt00011f","","","0.71073","MoKα","","0.0467","0.0343","","","0.0989","0.1084","","","","","","1.104","","","","has coordinates","250282","2020-10-21","18:00:00",""
"7703454","13.651","0.003","13.265","0.003","24.81","0.006","90","","90.453","0.003","90","","4492.5","1.8","250","2","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 B3 Dy O5 -","- C44 H68 B3 Dy O5 -","- C176 H272 B12 Dy4 O20 -","4","1","","Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen","Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3222","3227","10.1039/d0dt00011f","","","0.71073","MoKα","","0.0916","0.0879","","","0.2253","0.2274","","","","","","1.218","","","","has coordinates","250282","2020-10-21","18:00:00",""
"7703455","13.6433","0.001","15.2982","0.0011","15.8757","0.0012","97.413","0.002","91.715","0.003","97.494","0.002","3254.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","(1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) chloride","","- C64 H78 Cl2 Co N6 -","- C64 H78 Cl2 Co N6 -","- C128 H156 Cl4 Co2 N12 -","2","1","","Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.","Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2426","2430","10.1039/c9dt04624k","","x-ray","0.71073","MoKα","","0.0811","0.0448","","","0.0946","0.1063","","","","","","1.036","","","","has coordinates","248920","2020-10-21","18:00:00",""
"7703456","12.5223","0.0007","19.704","0.0011","24.1592","0.0013","90","","91.489","0.001","90","","5959","0.6","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) bromide","","- C64 H78 Br2 Co N6 -","- C64 H78 Br2 Co N6 -","- C256 H312 Br8 Co4 N24 -","4","1","","Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.","Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2426","2430","10.1039/c9dt04624k","","x-ray","0.71073","MoKα","","0.1206","0.0509","","","0.087","0.1067","","","","","","1.004","","","","has coordinates","248920","2020-10-21","18:00:00",""
"7703457","17.2279","0.0005","17.4336","0.0005","20.9343","0.0006","90","","90","","90","","6287.5","0.3","100","2","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) iodide","","- C68 H86 Co I2 N6 O -","- C68 H86 Co I2 N6 O -","- C272 H344 Co4 I8 N24 O4 -","4","0.5","","Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.","Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2426","2430","10.1039/c9dt04624k","","x-ray","0.71073","MoKα","","0.0609","0.0407","","","0.0947","0.1084","","","","","","1.028","","","","has coordinates,has disorder","248920","2020-10-21","18:00:00",""
"7703458","13.798","0.003","12.135","0.002","15.46","0.003","90","","91.923","0.003","90","","2587.1","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Br2 Cl F6 Ir N4 P -","- C20 H27 Br2 Cl F6 Ir N4 P -","- C80 H108 Br8 Cl4 F24 Ir4 N16 P4 -","4","1","","Volpe, Andrea; Natali, Mirco; Graiff, Claudia; Sartorel, Andrea; Tubaro, Cristina; Bonchio, Marcella","Novel iridium complexes with N-heterocyclic dicarbene ligands in light-driven water oxidation catalysis: photon management, ligand effect and catalyst evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2696","2705","10.1039/c9dt04841c","","","0.71073","MoKα","","0.0672","0.038","","","0.078","0.0905","","","","","","0.982","","","","has coordinates,has disorder","248925","2020-10-21","18:00:00",""
"7703459","14.439","0.003","12.898","0.003","15.652","0.003","90","","92.895","0.003","90","","2911.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl F6 Ir N4 P -","- C28 H33 Cl F6 Ir N4 P -","- C112 H132 Cl4 F24 Ir4 N16 P4 -","4","1","","Volpe, Andrea; Natali, Mirco; Graiff, Claudia; Sartorel, Andrea; Tubaro, Cristina; Bonchio, Marcella","Novel iridium complexes with N-heterocyclic dicarbene ligands in light-driven water oxidation catalysis: photon management, ligand effect and catalyst evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2696","2705","10.1039/c9dt04841c","","","0.71073","MoKα","","0.057","0.0276","","","0.0518","0.0613","","","","","","1.012","","","","has coordinates","248925","2020-10-21","18:00:00",""
"7703460","10.4442","0.0006","11.2777","0.0005","14.8434","0.0008","103.166","0.002","107.531","0.002","102.434","0.002","1545.57","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O15 Zn2 -","- C30 H24 N4 O15 Zn2 -","- C60 H48 N8 O30 Zn4 -","2","1","","Li, Xiao-Nan; Tu, Zu-Ming; Li, Li; Wang, Zhi-Hui; Zhang, Hong","A novel viologen-based coordination polymer with multi-stimuli responsive chromic properties: photochromism, thermochromism, chemochromism and electrochromism.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3228","3233","10.1039/c9dt04699b","","","0.71073","MoKα","","0.0473","0.0338","","","0.0915","0.1082","","","","","","1.119","","","","has coordinates","250274","2020-10-21","18:00:00",""
"7703461","14.358","0.001","15.795","0.001","16.772","0.002","101.67","0.01","109.39","0.01","112.53","0.01","3068","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Fe N2 P2 Si4 -","- C56 H74 Fe N2 P2 Si4 -","- C112 H148 Fe2 N4 P4 Si8 -","2","1","","Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi","Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2537","2546","10.1039/c9dt04725e","","x-ray","0.71073","MoKα","K-L~3~","0.0732","0.0435","","","0.0957","0.1057","","","","","","1.016","","","","has coordinates,has disorder","288543","2023-12-24","01:32:01",""
"7703462","11.215","0.001","13.123","0.001","16.998","0.001","88.64","0.01","83.8","0.01","71.76","0.01","2361.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H69 Fe N2 P2 Si4 -","- C42 H69 Fe N2 P2 Si4 -","- C84 H138 Fe2 N4 P4 Si8 -","2","1","","Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi","Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2537","2546","10.1039/c9dt04725e","","","0.71073","MoKα","","0.0351","0.0287","","","0.0745","0.0769","","","","","","1.041","","","","has coordinates","248922","2020-10-21","18:00:00",""
"7703463","12.311","0.0008","16.4794","0.0007","21.9452","0.001","90","","90","","90","","4452.2","0.4","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H62 Fe N2 P2 Si4 -","- C39 H62 Fe N2 P2 Si4 -","- C156 H248 Fe4 N8 P8 Si16 -","4","1","","Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi","Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2537","2546","10.1039/c9dt04725e","","x-ray","0.71073","MoKα","","0.0339","0.0268","","","0.0535","0.0549","","","","","","0.921","","","","has coordinates","248922","2020-10-21","18:00:00",""
"7703464","8.5139","0.001","10.7443","0.0012","14.4956","0.0016","70.49","0.001","73.694","0.001","71.332","0.001","1161.4","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H23 Cl3 N4 O9 Pd2 -","- C13 H23 Cl3 N4 O9 Pd2 -","- C26 H46 Cl6 N8 O18 Pd4 -","2","1","","Jiao, Yang; Hong, Jin; Chen, Yuncong; Zhang, Yuming; Guo, Zijian; Han, Zhong; He, Weijiang","A novel binuclear Pd(ii) complex displaying synergic peptide cleavage behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3164","3173","10.1039/d0dt00130a","","","0.71073","MoKα","","0.0504","0.0406","","","0.106","0.1106","","","","","","1.018","","","","has coordinates,has disorder","250270","2020-10-21","18:00:00",""
"7703465","12.5487","0.0009","17.098","0.0012","21.7789","0.0016","79.764","0.002","87.198","0.002","88.546","0.002","4592.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H70 Si2 Zr -","- C48 H70 Si2 Zr -","- C192 H280 Si8 Zr4 -","4","2","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0652","0.0394","","","0.0824","0.0904","","","","","","1.022","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703466","13.5409","0.0007","13.9254","0.0007","14.2996","0.0007","108.309","0.002","108.132","0.002","90.795","0.002","2414.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H70 B F5 O Si2 -","- C48 H70 B F5 O Si2 -","- C96 H140 B2 F10 O2 Si4 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0652","0.0488","","","0.1253","0.1365","","","","","","1.022","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703467","10.4219","0.0005","11.1194","0.0005","19.8329","0.0009","74.0185","0.0019","79.046","0.002","72.581","0.002","2093.63","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H60 I2 Si2 -","- C38 H60 I2 Si2 -","- C76 H120 I4 Si4 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0447","0.0328","","","0.0752","0.0818","","","","","","1.021","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703468","12.9527","0.001","26.578","0.002","12.273","0.001","90","","114.341","0.002","90","","3849.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 Si2 -","- C41 H66 Si2 -","- C164 H264 Si8 -","4","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0777","0.0468","","","0.1001","0.1131","","","","","","1.041","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703469","11.8487","0.0005","12.8443","0.0005","15.9399","0.0007","84.482","0.002","70.627","0.002","62.679","0.001","2028.67","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 Si2 Sn -","- C40 H66 Si2 Sn -","- C80 H132 Si4 Sn2 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0292","0.0261","","","0.0688","0.0723","","","","","","1.112","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703470","11.7378","0.0004","12.4676","0.0004","26.4693","0.0009","90","","99.127","0.001","90","","3824.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 B Cl Si2 -","- C38 H60 B Cl Si2 -","- C152 H240 B4 Cl4 Si8 -","4","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0566","0.0421","","","0.1001","0.1071","","","","","","1.077","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703471","13.7584","0.0009","14.0442","0.0009","14.1442","0.0009","67.341","0.001","73.098","0.001","87.994","0.001","2403.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H78 B Si2 -","- C50 H78 B Si2 -","- C100 H156 B2 Si4 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0846","0.0533","","","0.1254","0.1397","","","","","","1.021","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703472","12.1327","0.0009","17.933","0.0013","19.8813","0.0014","78.173","0.002","73.231","0.002","73.259","0.002","3931","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H120 Li4 Si4 -","- C76 H120 Li4 Si4 -","- C152 H240 Li8 Si8 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0504","0.0391","","","0.0962","0.1043","","","","","","1.024","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703473","12.0043","0.0007","20.473","0.0012","20.6672","0.0012","101.047","0.003","90.377","0.003","91.41","0.003","4983.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 B2 Cl2 Si2 -","- C50 H70 B2 Cl2 Si2 -","- C200 H280 B8 Cl8 Si8 -","4","2","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0909","0.0648","","","0.1478","0.1613","","","","","","1.032","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703474","17.5775","0.0017","21.32","0.002","16.318","0.003","90","","114.605","0.002","90","","5559.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H93 B Si2 -","- C57 H93 B Si2 -","- C228 H372 B4 Si8 -","4","0.5","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.076","0.0655","","","0.1854","0.2018","","","","","","1.045","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703475","10.532","0.003","11.125","0.003","17.118","0.004","90","","102.943","0.004","90","","1954.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 Bi O5 Pt S5 -","- C10 H15 Bi O5 Pt S5 -","- C40 H60 Bi4 O20 Pt4 S20 -","4","1","","Yoshida, Takefumi; Ahsan, Habib Md; Zhang, Hai-Tao; Izuogu, David Chukwuma; Abe, Hitoshi; Ohtsu, Hiroyoshi; Yamaguchi, Tadashi; Breedlove, Brian K.; Thom, Alex J. W.; Yamashita, Masahiro","Ionic-caged heterometallic bismuth-platinum complex exhibiting electrocatalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2652","2660","10.1039/c9dt04817k","","","0.71073","MoKα","","0.0585","0.0413","","","0.0956","0.1013","","","","","","0.958","","","","has coordinates","248918","2020-10-21","18:00:00",""
"7703476","15.581","0.008","7.767","0.004","16.411","0.008","90","","92.502","0.008","90","","1984.1","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl F3 Ir N -","- C22 H22 Cl F3 Ir N -","- C88 H88 Cl4 F12 Ir4 N4 -","4","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2680","2686","10.1039/c9dt04581c","","","0.71073","MoKα","","0.0676","0.0476","","","0.0904","0.0959","","","","","","1.04","","","","has coordinates,has disorder","248928","2020-10-21","18:00:00",""
"7703477","7.3923","0.0014","14.787","0.003","16.815","0.003","90","","96.99","0.003","90","","1824.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl F N Rh -","- C21 H22 Cl F N Rh -","- C84 H88 Cl4 F4 N4 Rh4 -","4","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2680","2686","10.1039/c9dt04581c","","","0.71073","MoKα","","0.0383","0.0311","","","0.0724","0.0747","","","","","","1.076","","","","has coordinates,has disorder","248928","2020-10-21","18:00:00",""
"7703478","7.477","0.003","14.699","0.005","17.404","0.006","90","","101.337","0.006","90","","1875.5","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl F Ir N -","- C21 H22 Cl F Ir N -","- C84 H88 Cl4 F4 Ir4 N4 -","4","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2680","2686","10.1039/c9dt04581c","","","0.71073","MoKα","","0.0474","0.037","","","0.0775","0.0807","","","","","","1.016","","","","has coordinates","248928","2020-10-21","18:00:00",""
"7703479","7.6543","0.0015","8.0979","0.0016","26.554","0.005","90","","90.64","0.03","90","","1645.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Mg N O12 P2 S -","- C9 H19 Mg N O12 P2 S -","- C36 H76 Mg4 N4 O48 P8 S4 -","4","1","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.71073","MoKα","","0.0352","0.0322","","","0.0861","0.088","","","","","","1.052","","","","has coordinates","248910","2020-10-21","18:00:00",""
"7703480","15.596","0.003","24.683","0.005","8.749","0.0017","90","","90","","90","","3368","1.1","170","","170.15","","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C18 H20 Ba2 N2 O21 P4 S2 -","- C18 H22 Ba2 N2 O21 P4 S2 -","- C72 H88 Ba8 N8 O84 P16 S8 -","4","0.5","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.71073","MoKα","","0.0708","0.0662","","","0.1812","0.1867","","","","","","1.087","","","","has coordinates","248910","2020-10-21","18:00:00",""
"7703481","18.8531","0.0008","5.3729","0.0002","23.7906","0.001","90","","113.18","0.001","90","","2215.34","0.16","294","2","294.32","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 Mg2 N O17 P2 S -","- C9 H27 Mg2 N O17 P2 S -","- C36 H108 Mg8 N4 O68 P8 S4 -","4","1","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.71073","MoKα","","0.0788","0.0536","","","0.1343","0.1474","","","","","","1.025","","","","has coordinates","248910","2020-10-21","18:00:00",""
"7703482","5.3434","0.0001","23.6346","0.0003","13.1707","0.0002","90","","91.839","0.001","90","","1662.46","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N O9.5 P2 Pb2 S -","- C9 H12 N O9.5 P2 Pb2 S -","- C36 H48 N4 O38 P8 Pb8 S4 -","4","1","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.72932","synchrotron","","0.1808","0.1481","","","0.3646","0.39","","","","","","1.482","","","","has coordinates,has disorder","248910","2020-10-21","18:00:00",""
"7703483","25.3027","0.0002","25.3027","0.0002","25.8582","0.0003","90","","90","","90","","16555.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C18 H40 Co2 Dy3 N4 Na O33 -","- C18 H40 Co2 Dy3 N4 Na O33 -","- C288 H640 Co32 Dy48 N64 Na16 O528 -","16","1","","Lun, Hui-Jie; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Trigonal bipyramidal CoDy<sub>3</sub> cluster exhibiting single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2421","2425","10.1039/c9dt04600c","","x-ray","1.54184","CuKα","","0.0426","0.0363","","","0.0927","0.1044","","","","","","1.117","","","","has coordinates,has disorder","248930","2020-10-21","18:00:00",""
"7703484","9.2965","0.0003","11.2423","0.0003","15.8411","0.0005","90","","103.457","0.003","90","","1610.16","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 I2 N6 P2 -","- C30 H24 Cu2 I2 N6 P2 -","- C60 H48 Cu4 I4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","x-ray","0.71073","MoKα","","0.0325","0.0237","","","0.0464","0.0481","","","","","","1.022","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703485","8.744","0.0017","11.97","0.0006","15.25","0.0011","90","","103.73","0.03","90","","1550.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Br2 Cu2 N6 P2 -","- C30 H24 Br2 Cu2 N6 P2 -","- C60 H48 Br4 Cu4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","","0.79475","synchrotron","","0.0571","0.0449","","","0.117","0.1223","","","","","","1.066","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703486","9.3613","0.0003","11.3294","0.0004","15.9037","0.0005","90","","103.734","0.003","90","","1638.49","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 I2 N6 P2 -","- C30 H24 Cu2 I2 N6 P2 -","- C60 H48 Cu4 I4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","x-ray","0.71073","MoKα","","0.0339","0.0254","","","0.0523","0.0546","","","","","","1.027","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703487","8.7081","0.0002","11.8728","0.0002","14.9438","0.0004","90","","103.577","0.002","90","","1501.86","0.06","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 Cu2 N6 P2 -","- C30 H24 Cl2 Cu2 N6 P2 -","- C60 H48 Cl4 Cu4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0625","0.0646","","","","","","1.044","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703488","36.2517","0.0002","6.78334","0.00005","13.08712","0.00007","90","","90","","90","","3218.22","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H56 B2 O2 P2 -","- C28 H56 B2 O2 P2 -","- C112 H224 B8 O8 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0721","0.0711","","","0.2063","0.2077","","","","","","1.034","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703489","12.40495","0.00016","13.12123","0.00013","39.362","0.0005","90","","90","","90","","6406.88","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Cl2 O3 P2 Rh -","- C29 H49 Cl2 O3 P2 Rh -","- C232 H392 Cl16 O24 P16 Rh8 -","8","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0564","0.0514","","","0.1078","0.11","","","","","","1.267","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703490","10.93786","0.00005","13.59304","0.00006","20.9333","0.00011","90","","90","","90","","3112.34","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 O P2 Rh -","- C31 H53 O P2 Rh -","- C124 H212 O4 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0194","0.0189","","","0.0484","0.0486","","","","","","1.074","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703491","11.62738","0.00006","11.80036","0.00005","24.50061","0.00012","90","","90","","90","","3361.66","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Cl2 O P2 Rh -","- C31 H53 Cl2 O P2 Rh -","- C124 H212 Cl8 O4 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0181","0.017","","","0.0404","0.0408","","","","","","1.053","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703492","15.09343","0.00009","12.86467","0.00007","32.65837","0.00016","90","","90.5535","0.0005","90","","6341.04","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 B2 O2 P2 -","- C28 H56 B2 O2 P2 -","- C224 H448 B16 O16 P16 -","8","2","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0442","0.0388","","","0.1031","0.1082","","","","","","1.021","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703493","20.85015","0.00015","10.67243","0.00011","13.58703","0.00012","90","","90","","90","","3023.41","0.05","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H49 O3 P2 Rh -","- C29 H49 O3 P2 Rh -","- C116 H196 O12 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0482","0.0474","","","0.1283","0.1297","","","","","","1.063","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703494","10.91013","0.00011","13.58277","0.00017","20.9292","0.0002","90","","90","","90","","3101.49","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Ir O P2 -","- C31 H53 Ir O P2 -","- C124 H212 Ir4 O4 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","0.71073","MoKα","","0.0166","0.0154","","","0.0338","0.0343","","","","","","1.07","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703495","20.8772","0.0002","10.65296","0.00008","13.56659","0.00011","90","","90","","90","","3017.26","0.04","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H49 Ir O3 P2 -","- C29 H49 Ir O3 P2 -","- C116 H196 Ir4 O12 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0205","0.0192","","","0.0464","0.0467","","","","","","1.075","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703496","11.6548","0.0002","11.78332","0.00018","24.5327","0.0004","90","","90","","90","","3369.13","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Cl2 Ir O P2 -","- C31 H53 Cl2 Ir O P2 -","- C124 H212 Cl8 Ir4 O4 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","0.71073","MoKα","","0.02","0.018","","","0.0377","0.0384","","","","","","1.058","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703497","12.4393","0.0002","13.2278","0.0002","39.2327","0.0007","90","","90","","90","","6455.53","0.18","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Cl2 Ir O3 P2 -","- C29 H49 Cl2 Ir O3 P2 -","- C232 H392 Cl16 Ir8 O24 P16 -","8","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0748","0.0677","","","0.1237","0.126","","","","","","1.445","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703498","31.733","0.005","31.733","0.005","31.733","0.005","90","","90","","90","","31955","9","293","","293","","","","","","","","","3","F 2 3","F 2 2 3","196","","","CAU-42","- C288 Al24 O114 -","- C288 Al24 O114 -","- C576 Al48 O228 -","2","0.0416667","","Leubner, S.; Bengtsson, V. E. G.; Inge, A. K.; Wahiduzzaman, M.; Steinke, F.; Jaworski, A.; Xu, H.; Halis, S.; Rönfeldt, P; Reinsch, H.; Maurin, G.; Zou, X.; Stock, N.","Hexahydroxytriphenylene for the synthesis of group 13 MOFs - a new inorganic building unit in a β-cristobalite type structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3088","3092","10.1039/d0dt00235f","powder diffraction","","1.5406","CuKα1","","","","","","","","","0.0276","1.7612","","","","","","","has coordinates","250281","2020-10-21","18:00:00",""
"7703499","9.105","0.005","11.571","0.005","27.397","0.005","90","0.005","90","0.005","90","0.005","2886","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F6 N O6 -","- C31 H25 F6 N O6 -","- C124 H100 F24 N4 O24 -","4","1","","Han, Guoying; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng; Yan, Pengfei","Preorganized helical chirality controlled homochiral self-assembly and circularly polarized luminescence of a quadruple-stranded Eu<sub>2</sub>L<sub>4</sub> helicate.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3312","3320","10.1039/d0dt00062k","","","0.71069","MoKα","","0.0987","0.0608","","","0.1594","0.1962","","","","","","1.049","","","","has coordinates","250284","2020-10-21","18:00:00",""
"7703500","9.103","0.005","11.578","0.005","27.425","0.005","90","0.005","90","0.005","90","0.005","2890","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F6 N O6 -","- C31 H25 F6 N O6 -","- C124 H100 F24 N4 O24 -","4","1","","Han, Guoying; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng; Yan, Pengfei","Preorganized helical chirality controlled homochiral self-assembly and circularly polarized luminescence of a quadruple-stranded Eu<sub>2</sub>L<sub>4</sub> helicate.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3312","3320","10.1039/d0dt00062k","","","0.71069","MoKα","","0.1087","0.06","","","0.1513","0.1888","","","","","","1.022","","","","has coordinates","250284","2020-10-21","18:00:00",""
"7703501","8.1561","0.0004","9.8581","0.0005","12.6906","0.0007","67.214","0.001","81.507","0.001","80.456","0.001","923.8","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 N4 -","- C44 H52 N4 -","- C44 H52 N4 -","1","0.5","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0486","0.0395","","","0.107","0.1159","","","","","","1.013","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703502","9.37","0.006","9.873","0.006","12.853","0.008","101.209","0.01","110.101","0.01","100.626","0.01","1053.8","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H60 N4 O4 -","- C48 H60 N4 O4 -","- C48 H60 N4 O4 -","1","0.5","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.1112","0.0729","","","0.1754","0.2064","","","","","","0.98","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703503","10.0234","0.0003","10.3546","0.0003","22.0904","0.0007","97.2008","0.0004","95.9244","0.0005","92.3991","0.0005","2259","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H51 Ag F7 N5 O3 S -","- C47 H51 Ag F7 N5 O3 S -","- C94 H102 Ag2 F14 N10 O6 S2 -","2","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0294","0.026","","","0.0672","0.0741","","","","","","1.043","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703504","17.4039","0.001","28.4415","0.0016","8.1734","0.0004","90","","90","","90","","4045.8","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H52 Co N6 O6 -","- C44 H52 Co N6 O6 -","- C176 H208 Co4 N24 O24 -","4","0.5","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0569","0.0429","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","250271","2020-10-21","18:00:00",""
"7703505","17.703","0.002","17.703","0.002","14.619","0.003","90","","90","","90","","4581.5","1.2","120","2","120","2","","","","","","","","3","P -4","P -4","81","","","","- C52 H72 N8 -","- C52 H72 N8 -","- C208 H288 N32 -","4","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.2344","0.099","","","0.2147","0.2843","","","","","","1.03","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703506","18.948","0.003","26.442","0.004","9.008","0.0013","90","","91.789","0.002","90","","4511","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Cd Cl2 N6 O6 -","- C46 H56 Cd Cl2 N6 O6 -","- C184 H224 Cd4 Cl8 N24 O24 -","4","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.1172","0.0668","","","0.1608","0.2008","","","","","","1.015","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703507","9.8867","0.0006","43.59","0.002","10.084","0.0006","90","","91.9702","0.0012","90","","4343.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 Ag F6 N5 P -","- C46 H55 Ag F6 N5 P -","- C184 H220 Ag4 F24 N20 P4 -","4","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0678","0.0447","","","0.0976","0.116","","","","","","1.016","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703508","13.6723","0.0005","13.6784","0.0005","14.1978","0.0005","71.0716","0.0005","86.927","0.0006","89.7603","0.0006","2507.77","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H51 Ag F3 N9 O11 S -","- C47 H51 Ag F3 N9 O11 S -","- C94 H102 Ag2 F6 N18 O22 S2 -","2","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0579","0.0493","","","0.1306","0.1384","","","","","","1.021","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703509","26.6838","0.001","26.6838","0.001","12.9979","0.0007","90","","90","","90","","9254.8","0.7","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4 -","- C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4 -","- C176 H448 Cl16 Cu24 N32 Na4 O230 Zn8 -","2","0.25","","Iman, Khushboo; Shahid, M.; Ahmad, Musheer","A novel self-assembled Na{Cu<sub>12</sub>Zn<sub>4</sub>} multifunctional material: first report of a discrete coordination compound for detection of Ca<sup>2+</sup> ions and selective adsorption of cationic dyes in water.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3423","3433","10.1039/c9dt04461b","","","0.71073","MoKα","","0.0847","0.0599","","","0.1703","0.2098","","","","","","1.1326","","","","has coordinates","250298","2020-10-21","18:00:00",""
"7703510","6.2509","0.0008","7.0944","0.0009","20.747","0.003","90","","90","","90","","920.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Gd H6 N O11 Se2 -","- Gd H6 N O11 Se2 -","- Gd4 H24 N4 O44 Se8 -","4","1","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Gd(NO<sub>3</sub>)(Se<sub>2</sub>O<sub>5</sub>)·3H<sub>2</sub>O: a nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3253","3259","10.1039/d0dt00116c","","","0.71073","MoKα","","0.0484","0.0403","","","0.0815","0.0842","","","","","","1.11","","","","has coordinates","250276","2020-10-21","18:00:00",""
"7703511","9.3079","0.0006","9.6561","0.0006","13.8605","0.0008","75.823","0.001","80.958","0.001","61.586","0.001","1061.11","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl2 Si Zr -","- C24 H26 Cl2 Si Zr -","- C48 H52 Cl4 Si2 Zr2 -","2","1","","Uborsky, Dmitry V.; Mladentsev, Dmitry Y.; Guzeev, Bogdan A.; Borisov, Ilya S.; Vittoria, Antonio; Ehm, Christian; Cipullo, Roberta; Hendriksen, Coen; Friederichs, Nic; Busico, Vincenzo; Voskoboynikov, Alexander Z.","C<sub>1</sub>-Symmetric Si-bridged (2-indenyl)(1-indenyl) ansa-metallocenes as efficient ethene/1-hexene copolymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","3015","3025","10.1039/c9dt04896k","","","0.71073","MoKα","","0.0339","0.028","","","0.0661","0.069","","","","","","1.023","","","","has coordinates","248984","2020-10-21","18:00:00",""
"7703512","10.1061","0.0004","10.6032","0.0004","24.5397","0.001","90","","96.988","0.001","90","","2610.07","0.18","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl2 Si Zr -","- C32 H26 Cl2 Si Zr -","- C128 H104 Cl8 Si4 Zr4 -","4","1","","Uborsky, Dmitry V.; Mladentsev, Dmitry Y.; Guzeev, Bogdan A.; Borisov, Ilya S.; Vittoria, Antonio; Ehm, Christian; Cipullo, Roberta; Hendriksen, Coen; Friederichs, Nic; Busico, Vincenzo; Voskoboynikov, Alexander Z.","C<sub>1</sub>-Symmetric Si-bridged (2-indenyl)(1-indenyl) ansa-metallocenes as efficient ethene/1-hexene copolymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","3015","3025","10.1039/c9dt04896k","","","0.71073","MoKα","","0.0363","0.0271","","","0.066","0.0713","","","","","","1.052","","","","has coordinates","248984","2020-10-21","18:00:00",""
"7703513","16.243","0.005","7.354","0.002","21.148","0.008","90","","93.548","0.01","90","","2521.3","1.4","115","2","115","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 F6 N5 O P Ru S -","- C21 H16 Cl2 F6 N5 O P Ru S -","- C84 H64 Cl8 F24 N20 O4 P4 Ru4 S4 -","4","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0413","0.0305","","","0.0665","0.0715","","","","","","1.044","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703514","11.012","0.002","11.092","0.002","11.139","0.002","75.537","0.007","79.228","0.007","70.732","0.007","1235.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H20 Cl F6 N4 O2 P Ru -","- C23 H20 Cl F6 N4 O2 P Ru -","- C46 H40 Cl2 F12 N8 O4 P2 Ru2 -","2","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.046","0.0341","","","0.0801","0.0863","","","","","","1.048","","","","has coordinates,has disorder","250279","2020-10-21","18:00:00",""
"7703515","13.3561","0.0005","14.1266","0.0005","14.3152","0.0005","104.972","0.0016","96.3207","0.0016","97.3251","0.0017","2558.96","0.16","113","","113","","","","","","","","","9","P -1","-P 1","2","","","","- C21 H16 Cl2 F6 N5 O1.25 P Ru S -","- C21 H16 Cl2 F6 N5 O1.25 P Ru S -","- C84 H64 Cl8 F24 N20 O5 P4 Ru4 S4 -","4","2","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0397","0.0352","","0.0622","0.0469","0.041","","","","","","1.0407","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703516","22.949","0.0008","16.5682","0.0007","14.219","0.0006","90","","112.002","0.0012","90","","5012.7","0.3","110","","110","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl F6 N5 O2 P Ru S -","- C21 H17 Cl F6 N5 O2 P Ru S -","- C168 H136 Cl8 F48 N40 O16 P8 Ru8 S8 -","8","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0271","0.0214","","0.2002","0.0361","0.0257","","","","","","0.9837","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703517","7.6895","0.0004","10.6774","0.0006","15.5498","0.0009","80.941","0.002","85.288","0.002","69.984","0.002","1184.07","0.11","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C21 H18 Cl F6 N4 O2 P Ru S -","- C21 H18 Cl F6 N4 O2 P Ru S -","- C42 H36 Cl2 F12 N8 O4 P2 Ru2 S2 -","2","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0369","0.0315","","0.049","0.0429","0.0328","","","","","","1.024","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703518","22.9917","0.0008","17.299","0.0006","14.1597","0.0005","90","","114.003","0.002","90","","5144.8","0.3","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl F6 N5 O2 P Ru -","- C23 H19 Cl F6 N5 O2 P Ru -","- C184 H152 Cl8 F48 N40 O16 P8 Ru8 -","8","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.031","0.0252","","","0.0627","0.0674","","","","","","1.108","","","","has coordinates,has disorder","250279","2020-10-21","18:00:00",""
"7703519","17.065","0.011","17.488","0.011","20.605","0.012","90","","90","","90","","6149","7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Cl3 N2 O4 Pd2 -","- C33 H27 Cl3 N2 O4 Pd2 -","- C264 H216 Cl24 N16 O32 Pd16 -","8","2","","Yamamoto, Koji; Higuchi, Kazuki; Kuwata, Shigeki; Hayashi, Yoshihiro; Kawauchi, Susumu; Takata, Toshikazu","Open clamshell dinuclear palladium(ii) complexes possessing out-of-plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2781","2785","10.1039/d0dt00323a","","","0.71075","MoKα","","0.0584","0.0526","","","0.1326","0.1372","","","","","","1.036","","","","has coordinates","248981","2020-10-21","18:00:00",""
"7703520","12.641","0.003","13.964","0.003","21.656","0.005","73.184","0.011","76.622","0.012","74.112","0.012","3471","1.4","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cl N2 O6.75 Pd2 -","- C39 H37 Cl N2 O6.75 Pd2 -","- C156 H148 Cl4 N8 O27 Pd8 -","4","2","","Yamamoto, Koji; Higuchi, Kazuki; Kuwata, Shigeki; Hayashi, Yoshihiro; Kawauchi, Susumu; Takata, Toshikazu","Open clamshell dinuclear palladium(ii) complexes possessing out-of-plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2781","2785","10.1039/d0dt00323a","","","0.71075","MoKα","","0.0794","0.0557","","","0.1315","0.1407","","","","","","0.807","","","","has coordinates,has disorder","248981","2020-10-21","18:00:00",""
"7703521","9.8908","0.0006","10.5382","0.0006","15.9326","0.001","81.26","0.002","86.319","0.002","68.024","0.002","1522.08","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 N12 O26 Re6 -","- C42 H60 N12 O26 Re6 -","- C42 H60 N12 O26 Re6 -","1","0.5","","Ghosh, Rajib; Ghosh, Tamal Kanti; Ghosh, Pradyut","Selective and efficient removal of perrhenate by an imidazolium based hexapodal receptor in water medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3093","3097","10.1039/d0dt00365d","","","0.71073","MoKα","","0.0666","0.0646","","","0.178","0.1811","","","","","","1.057","","","","has coordinates","250277","2020-10-21","18:00:00",""
"7703522","9.616","0.004","12.479","0.005","15.96","0.007","109.63","0.008","102.85","0.008","90.878","0.008","1750.2","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H72 N16 O24 Re6 -","- C50 H72 N16 O24 Re6 -","- C50 H72 N16 O24 Re6 -","1","0.5","","Ghosh, Rajib; Ghosh, Tamal Kanti; Ghosh, Pradyut","Selective and efficient removal of perrhenate by an imidazolium based hexapodal receptor in water medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3093","3097","10.1039/d0dt00365d","","","0.71073","MoKα","","0.1383","0.0948","","","0.2508","0.2959","","","","","","0.968","","","","has coordinates","250277","2020-10-21","18:00:00",""
"7703523","6.6594","0.0002","10.8376","0.0004","11.1557","0.0004","89.306","0.001","77.661","0.001","72.266","0.001","747.94","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Cl N3 O3 Re -","- C15 H9 Cl N3 O3 Re -","- C30 H18 Cl2 N6 O6 Re2 -","2","1","","Bonfiglio, Anna; Magra, Kévin; Cebrián, Cristina; Polo, Federico; Gros, Philippe C.; Mercandelli, Pierluigi; Mauro, Matteo","Red-emitting neutral rhenium(i) complexes bearing a pyridyl pyridoannelated N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3102","3111","10.1039/c9dt04890a","","","0.71073","MoKα","","0.0163","0.0152","","","0.0302","0.0305","","","","","","1.106","","","","has coordinates","250285","2020-10-21","18:00:00",""
"7703524","6.7338","0.0003","10.8986","0.0004","11.312","0.0005","88.791","0.001","76.48","0.001","72.144","0.001","767.14","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br N3 O3 Re -","- C15 H9 Br N3 O3 Re -","- C30 H18 Br2 N6 O6 Re2 -","2","1","","Bonfiglio, Anna; Magra, Kévin; Cebrián, Cristina; Polo, Federico; Gros, Philippe C.; Mercandelli, Pierluigi; Mauro, Matteo","Red-emitting neutral rhenium(i) complexes bearing a pyridyl pyridoannelated N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3102","3111","10.1039/c9dt04890a","","","0.71073","MoKα","","0.0342","0.0295","","","0.0621","0.0649","","","","","","1.109","","","","has coordinates","250285","2020-10-21","18:00:00",""
"7703525","10.7913","0.0003","19.8212","0.0007","22.1761","0.0009","112.852","0.004","94.189","0.003","98.719","0.003","4275","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 B N8 O2 W -","- C28 H29 B N8 O2 W -","- C168 H174 B6 N48 O12 W6 -","6","3","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0584","0.0376","","","0.0728","0.0812","","","","","","0.946","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703526","10.1932","0.0002","15.8341","0.0004","18.7606","0.0004","90","","90.182","0.002","90","","3027.95","0.12","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Au B Cl N8 O2 W -","- C28 H29 Au B Cl N8 O2 W -","- C112 H116 Au4 B4 Cl4 N32 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0418","0.0351","","","0.0849","0.0892","","","","","","1.051","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703527","14.5705","0.0004","12.1669","0.0003","19.1692","0.0007","90","","102.297","0.003","90","","3320.31","0.18","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Au2 B2 Cl6 N14 O4 W2 -","- C48 H54 Au2 B2 Cl6 N14 O4 W2 -","- C96 H108 Au4 B4 Cl12 N28 O8 W4 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0304","0.023","","","0.0507","0.0534","","","","","","1.04","","","","has coordinates,has disorder","250283","2020-10-21","18:00:00",""
"7703528","10.932","0.0004","12.4024","0.0005","13.3168","0.0005","91.062","0.003","106.316","0.003","100.294","0.003","1700.4","0.12","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 B2 F4 N8 O3 W -","- C30 H36 B2 F4 N8 O3 W -","- C60 H72 B4 F8 N16 O6 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0435","0.0337","","","0.0573","0.065","","","","","","1.077","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703529","17.2205","0.0004","12.6997","0.0003","17.2216","0.0003","90","","97.909","0.002","90","","3730.46","0.14","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 B Cl5 N8 O2 Pt W -","- C29 H30 B Cl5 N8 O2 Pt W -","- C116 H120 B4 Cl20 N32 O8 Pt4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0243","0.0208","","","0.0459","0.0476","","","","","","1.045","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703530","12.8374","0.0006","13.7806","0.0005","14.558","0.0007","108.818","0.004","110.939","0.004","105.013","0.004","2062.6","0.2","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C36 H41 B F6 N8 O2 P Rh W -","- C36 H41 B F6 N8 O2 P Rh W -","- C72 H82 B2 F12 N16 O4 P2 Rh2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0479","0.0418","","","0.11","0.1154","","","","","","1.065","","","","has coordinates,has disorder","250283","2020-10-21","18:00:00",""
"7703531","18.0778","0.0001","12.5164","0.0001","17.187","0.0001","90","","97.423","0.001","90","","3856.29","0.04","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B Br Cl2 N8 O5 Re W -","- C32 H31 B Br Cl2 N8 O5 Re W -","- C128 H124 B4 Br4 Cl8 N32 O20 Re4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0263","0.0246","","","0.0636","0.065","","","","","","1.096","","","","has coordinates,has disorder","250283","2020-10-21","18:00:00",""
"7703532","17.5492","0.0006","20.796","0.0008","16.0536","0.0005","90","","90.562","0.003","90","","5858.5","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 B3 Cl4 F4 N14 O4 W2 -","- C46 H51 B3 F4 N14 O4 W2 -","- C184 H204 B12 F16 N56 O16 W8 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0493","0.0336","","","0.0685","0.0744","","","","","","1.021","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703533","9.5931","0.0004","19.9775","0.0007","17.8132","0.0006","90","","104.236","0.004","90","","3309","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 B Cl2 N8 O2 Pt W -","- C30 H33 B Cl2 N8 O2 Pt W -","- C120 H132 B4 Cl8 N32 O8 Pt4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0491","0.0375","","","0.0815","0.0878","","","","","","1.049","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703534","16.0592","0.0002","26.216","0.0003","27.9017","0.0003","90","","90","","90","","11746.8","0.2","150","0.1","150","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C46 H50 B2 N14 O4 W2 -","- C46 H50 B2 N14 O4 W2 -","- C368 H400 B16 N112 O32 W16 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0329","0.0317","","","0.0928","0.0944","","","","","","1.098","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703535","12.8493","0.0004","13.8233","0.0005","14.5185","0.0005","114.14","0.004","106.442","0.003","103.774","0.003","2064.34","0.18","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C36 H41 B F6 Ir N8 O2 P W -","- C36 H41 B F6 Ir N8 O2 P W -","- C72 H82 B2 F12 Ir2 N16 O4 P2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0407","0.0354","","","0.0912","0.0972","","","","","","1.028","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703536","10.1615","0.0003","16.8699","0.0005","11.3481","0.0004","90","","111.731","0.004","90","","1807.08","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Co N4 O5 S -","- C18 H14 Co N4 O5 S -","- C72 H56 Co4 N16 O20 S4 -","4","1","","Liu, Hang; Mai, Zhongwen; Xu, Xinxin; Wang, Yi","A Co-MOF-derived oxygen-vacancy-rich Co<sub>3</sub>O<sub>4</sub>-based composite as a cathode material for hybrid Zn batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2880","2887","10.1039/c9dt04682h","","","0.71073","MoKα","","0.0504","0.0438","","","0.1585","0.1678","","","","","","1.035","","","","has coordinates","248976","2020-10-21","18:00:00",""
"7703537","9.9814","0.0005","13.5654","0.0006","15.3462","0.0007","102.105","0.002","95.801","0.002","101.584","0.002","1967.95","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 Cl2 N2 P Ru S2 -","- C42 H33 Cl2 N2 P Ru S2 -","- C84 H66 Cl4 N4 P2 Ru2 S4 -","2","1","","Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5015","5019","10.1039/d0dt00089b","","","0.71073","MoKα","","0.0453","0.038","","","0.0893","0.0936","","","","","","1.114","","","","has coordinates","251628","2020-10-21","18:00:00",""
"7703538","10.7982","0.0006","11.8469","0.0007","14.571","0.0008","83.92","0.003","83.224","0.003","68.376","0.003","1716.77","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H33 Cl2 N2 O2 P Ru S -","- C37 H33 Cl2 N2 O2 P Ru S -","- C74 H66 Cl4 N4 O4 P2 Ru2 S2 -","2","1","","Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5015","5019","10.1039/d0dt00089b","","","0.71073","MoKα","","0.0974","0.0601","","","0.1218","0.1419","","","","","","1.087","","","","has coordinates","251628","2020-10-21","18:00:00",""
"7703539","9.9122","0.0005","13.5323","0.0007","15.4334","0.0007","102.528","0.002","94.871","0.002","101.684","0.002","1960.94","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H33 Cl2 N2 O0.7 P Ru S1.3 -","- C42 H33 Cl2 N2 O0.701 P Ru S1.299 -","- C84 H66 Cl4 N4 O1.402 P2 Ru2 S2.598 -","2","1","","Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5015","5019","10.1039/d0dt00089b","","","0.71073","MoKα","","0.0904","0.0775","","","0.1964","0.2033","","","","","","1.137","","","","has coordinates,has disorder","251628","2020-10-21","18:00:00",""
"7703540","14.44","0.003","15.07","0.003","16.39","0.003","90","","108.68","0.03","90","","3378.8","1.3","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B2 Cu F12 N4 O2 -","- C28 H28 B2 Cu F12 N4 O2 -","- C112 H112 B8 Cu4 F48 N16 O8 -","4","0.5","","Kondo, Atsushi; Kajiro, Hiroshi; Nakagawa, Tomohiro; Tanaka, Hideki; Kanoh, Hirofumi","A flexible two-dimensional layered metal-organic framework functionalized with (trifluoromethyl)trifluoroborate: synthesis, crystal structure, and adsorption/separation properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3692","3699","10.1039/c9dt04836g","","","0.71073","MoKα","","0.0964","0.0783","","","0.2029","0.2177","","","","","","1.042","","","","has coordinates","250311","2020-10-21","18:00:00",""
"7703541","19.531","0.0011","19.531","0.0011","7.6932","0.0004","90","","90","","90","","2934.6","0.3","100","2","100.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C7 H12 Au Cl5 N2 -","- C7 H12 Au Cl5 N2 -","- C56 H96 Au8 Cl40 N16 -","8","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","","0.71073","MoKα","","0.0439","0.0283","","","0.0506","0.0539","","","","","","1.031","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703542","8.684","0.002","20.099","0.005","13.321","0.003","90","","91.35","0.01","90","","2324.4","0.9","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Au Cl N2 O4 -","- C26 H22 Au Cl N2 O4 -","- C104 H88 Au4 Cl4 N8 O16 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.023","0.0217","","","0.0619","0.0683","","","","","","1.135","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703543","19.4915","0.0014","15.0501","0.0011","21.4077","0.0016","90","","113.209","0.002","90","","5771.7","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Au Cl5 N3 O4 -","- C26 H23 Au Cl5 N3 O4 -","- C208 H184 Au8 Cl40 N24 O32 -","8","2","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.0557","0.0349","","","0.0752","0.0825","","","","","","1.028","","","","has coordinates,has disorder","250308","2020-10-21","18:00:00",""
"7703544","8.5971","0.0004","14.5741","0.0007","10.8547","0.0005","90","","99.788","0.001","90","","1340.24","0.11","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Au Cl5 N2 -","- C7 H10 Au Cl5 N2 -","- C28 H40 Au4 Cl20 N8 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.0192","0.0186","","","0.0428","0.043","","","","","","1.197","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703545","7.793","0.005","13.984","0.009","11.539","0.007","90","","100.78","0.02","90","","1235.3","1.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Au Cl3 N2 -","- C9 H10 Au Cl3 N2 -","- C36 H40 Au4 Cl12 N8 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","","0.71073","MoKα","","0.0303","0.0223","","","0.0483","0.0505","","","","","","1.024","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703546","14.9973","0.0015","12.2343","0.0012","17.05","0.0017","90","","103.282","0.002","90","","3044.7","0.5","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Au Cl6 N2 O4 -","- C27 H23 Au Cl6 N2 O4 -","- C108 H92 Au4 Cl24 N8 O16 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.028","0.0218","","","0.0534","0.0558","","","","","","1.031","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703547","9.9227","0.0005","12.457","0.0006","16.0614","0.0008","80.584","0.001","74.32","0.001","67.518","0.001","1762.1","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H18 Br2 N2 O10 Ru3 -","- C34 H18 Br2 N2 O10 Ru3 -","- C68 H36 Br4 N4 O20 Ru6 -","2","1","","Yan, Xinlong; Dong, Qing; Li, Ying; Meng, Lizhen; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3480","3487","10.1039/d0dt00045k","","","0.71073","MoKα","","0.0473","0.0381","","","0.104","0.1211","","","","","","1.023","","","","has coordinates","250300","2020-10-21","18:00:00",""
"7703548","11.695","0.0009","16.4637","0.0014","19.9029","0.0016","90","","103.851","0.003","90","","3720.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br4 N2 O10 Ru3 -","- C32 H16 Br4 N2 O10 Ru3 -","- C128 H64 Br16 N8 O40 Ru12 -","4","0.5","","Yan, Xinlong; Dong, Qing; Li, Ying; Meng, Lizhen; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3480","3487","10.1039/d0dt00045k","","","0.71073","MoKα","","0.0592","0.0354","","","0.0731","0.0797","","","","","","1.044","","","","has coordinates","250300","2020-10-21","18:00:00",""
"7703549","11.4233","0.0011","12.1695","0.0012","15.1533","0.0014","70.483","0.001","87.865","0.002","78.592","0.001","1945.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O12 Ru3 -","- C36 H24 N2 O12 Ru3 -","- C72 H48 N4 O24 Ru6 -","2","1","","Yan, Xinlong; Dong, Qing; Li, Ying; Meng, Lizhen; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3480","3487","10.1039/d0dt00045k","","","0.71073","MoKα","","0.0531","0.04","","","0.1","0.11","","","","","","1.046","","","","has coordinates","250300","2020-10-21","18:00:00",""
"7703550","7.813","0.0001","15.561","0.0003","17.9993","0.0005","83.827","0.002","83.232","0.002","79.233","0.002","2126.6","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 N7 O4 Os P -","- C45 H37 N7 O4 Os P -","- C90 H74 N14 O8 Os2 P2 -","2","1","","Su, Qian-Qian; Fan, Kun; Huang, Xin-Da; Xiang, Jing; Cheng, Shun-Cheung; Ko, Chi-Chiu; Zheng, Li-Min; Kurmoo, Mohamedally; Lau, Tai-Chu","Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear osmium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4084","4092","10.1039/d0dt00295j","","","0.71073","MoKα","","0.0435","0.0384","","","0.1022","0.1055","","","","","","0.786","","","","has coordinates","250295","2020-10-21","18:00:00",""
"7703551","7.751","0.0005","34.11","0.002","16.1795","0.0012","90","","101.349","0.007","90","","4194","0.5","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N7 O4 Os P -","- C44 H35 N7 O4 Os P -","- C176 H140 N28 O16 Os4 P4 -","4","1","","Su, Qian-Qian; Fan, Kun; Huang, Xin-Da; Xiang, Jing; Cheng, Shun-Cheung; Ko, Chi-Chiu; Zheng, Li-Min; Kurmoo, Mohamedally; Lau, Tai-Chu","Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear osmium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4084","4092","10.1039/d0dt00295j","","","0.71073","MoKα","","0.1444","0.1025","","","0.2471","0.2789","","","","","","1.085","","","","has coordinates","250295","2020-10-21","18:00:00",""
"7703552","14.03","0.005","14.03","0.005","14.03","0.005","90","","90","","90","","2761.7","1.7","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag2 Cu2 Ge4 S16 Sr6 -","- Ag1.9998 Cu2.0001 Ge4 S16 Sr6 -","- Ag7.9992 Cu8.0004 Ge16 S64 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0574","0.0552","","","0.1404","0.143","","","","","","1.105","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703553","14.2219","0.0004","14.2219","0.0004","14.2219","0.0004","90","","90","","90","","2876.56","0.14","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag4 S16 Sn4 Sr6 -","- Ag4.0005 S16 Sn4 Sr6 -","- Ag16.002 S64 Sn16 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0453","0.0414","","","0.1303","0.133","","","","","","1.232","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703554","14.0925","0.0015","14.0925","0.0015","14.0925","0.0015","90","","90","","90","","2798.8","0.5","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag4 Ge4 S16 Sr6 -","- Ag3.9999 Ge4 S16 Sr6 -","- Ag15.9996 Ge16 S64 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0183","0.0181","","","0.0469","0.047","","","","","","1.098","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703555","13.982","0.003","13.982","0.003","13.982","0.003","90","","90","","90","","2733.4","1","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Cu4 S16 Sn4 Sr6 -","- Cu3.9999 S16 Sn4 Sr6 -","- Cu15.9996 S64 Sn16 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0772","0.0692","","","0.2","0.2079","","","","","","1.181","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703556","18.3465","0.001","9.5046","0.0003","18.6302","0.0012","90","","115.491","0.002","90","","2932.4","0.3","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C26 H36 Cl F6 N2 P Ru S -","- C26 H36 Cl F6 N2 P Ru S -","- C104 H144 Cl4 F24 N8 P4 Ru4 S4 -","4","1","","Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry","Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3243","3252","10.1039/c9dt04825a","","","0.71073","MoKα","","0.162","0.0646","","","0.1395","0.2089","","","","","","1.059","","","","has coordinates","250272","2020-10-21","18:00:00",""
"7703557","10.3883","0.001","19.6463","0.0019","14.7966","0.0014","90","","95.526","0.002","90","","3005.8","0.5","173","2","173","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C28 H31 Br Cl F6 N2 P Ru S -","- C28 H31 Br Cl F6 N2 P Ru S -","- C112 H124 Br4 Cl4 F24 N8 P4 Ru4 S4 -","4","2","","Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry","Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3243","3252","10.1039/c9dt04825a","","","0.71073","MoKα","","0.1122","0.0734","","","0.1693","0.1906","","","","","","1.013","","","","has coordinates","250272","2020-10-21","18:00:00",""
"7703558","8.9199","0.0007","11.327","0.0009","15.5712","0.0013","81.652","0.002","84.987","0.002","73.995","0.002","1494.4","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H31 Cl F6 N3 O2 P Ru S -","- C28 H31 Cl F6 N3 O2 P Ru S -","- C56 H62 Cl2 F12 N6 O4 P2 Ru2 S2 -","2","1","","Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry","Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3243","3252","10.1039/c9dt04825a","","","0.71073","MoKα","","0.0288","0.0247","","","0.0599","0.0625","","","","","","1.046","","","","has coordinates","250272","2020-10-21","18:00:00",""
"7703559","10.0011","0.0007","15.523","0.001","26.6754","0.0019","90","","94.253","0.006","90","","4129.9","0.5","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H65 Cl N2 O Rh Ta -","- C39 H65 Cl N2 O Rh Ta -","- C156 H260 Cl4 N8 O4 Rh4 Ta4 -","4","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0862","0.0702","","0.1813","0.1709","0.1813","","","","","","1.0076","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703560","8.6557","0.0007","10.8781","0.0007","15.8244","0.0011","71.346","0.006","75.611","0.007","68.301","0.007","1297.24","0.18","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N2 O Ta -","- C26 H41 N2 O Ta -","- C52 H82 N4 O2 Ta2 -","2","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0513","0.042","","0.0972","0.0867","0.0972","","","","","","0.997","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703561","14.7519","0.0008","15.0383","0.0009","15.888","0.0008","68.473","0.005","71.745","0.005","85.878","0.005","3110.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C51 H93 Cl N2 O5 Rh Si Ta -","- C51 H93 Cl N2 O5 Rh Si Ta -","- C102 H186 Cl2 N4 O10 Rh2 Si2 Ta2 -","2","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0802","0.0629","","0.1301","0.1126","0.1301","","","","","","0.9557","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703562","9.7495","0.0004","16.7483","0.0007","21.3697","0.0008","95.525","0.003","102.339","0.003","93.414","0.003","3381.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C55 H111 N2 O9 Si2 Ta -","- C55 H109 N2 O9 Si2 Ta -","- C110 H218 N4 O18 Si4 Ta2 -","2","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0578","0.0473","","","0.1027","0.1123","","","","","","1.09","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703563","13.2924","0.0004","14.4434","0.0003","24.8139","0.0007","101.192","0.002","102.617","0.002","91.829","0.002","4546.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96.75 H127 B2 Br2 Li4 N4 O4 -","- C96.7496 H126.999 B2 Br2 Li4 N4 O3.9999 -","- C193.499 H253.998 B4 Br4 Li8 N8 O7.9998 -","2","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0997","0.0551","","","0.1285","0.1456","","","","","","1.004","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7703564","12.205","0.003","19.4474","0.0018","20.653","0.006","90","","90","","90","","4902.1","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H71 Ge N2 Na O6 -","- C48 H71 Ge N2 Na O6 -","- C192 H284 Ge4 N8 Na4 O24 -","4","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0733","0.0478","","","0.0906","0.0995","","","","","","1.011","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7703565","33.394","0.003","33.394","0.003","12.337","0.0009","90","","90","","90","","13758","2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C79 H88 B2 K2 N4 O2 -","- C79 H88 B2 K2 N4 O2 -","- C632 H704 B16 K16 N32 O16 -","8","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0959","0.0658","","","0.1604","0.1753","","","","","","1.018","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7703566","15.9608","0.0005","16.3375","0.0004","17.8363","0.0005","90","","107.528","0.001","90","","4435","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6,6?-{N(4-hexylphenyl)-N(ethyl)-amido}-2,2?-bipyridyl tricarbonylchlororhenium","[Re(HPEAB)(CO)3Cl]","","- C47 H60 Cl N4 O6 Re -","- C47 H60 Cl N4 O6 Re -","- C188 H240 Cl4 N16 O24 Re4 -","4","1","","Shipp, James D.; Carson, Heather; Spall, Steven J. P.; Parker, Simon C.; Chekulaev, Dimitri; Jones, Natalie; Mel'nikov, Mikhail Ya; Robertson, Craig C.; Meijer, Anthony J. H. M.; Weinstein, Julia A.","Sterically hindered Re- and Mn-CO<sub>2</sub> reduction catalysts for solar energy conversion.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4230","4243","10.1039/d0dt00252f","","","1.54178","CuKα","","0.0521","0.0413","","","0.1008","0.1069","","","","","","1.041","","","","has coordinates,has disorder","251639","2020-10-21","18:00:00",""
"7703567","15.8147","0.0012","16.2939","0.0011","17.938","0.0011","90","","106.379","0.004","90","","4434.7","0.5","110.01","","110.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H55 Br Mn N4 O5.5 -","- C45 H55 Br Mn N4 O5.5 -","- C180 H220 Br4 Mn4 N16 O22 -","4","1","","Shipp, James D.; Carson, Heather; Spall, Steven J. P.; Parker, Simon C.; Chekulaev, Dimitri; Jones, Natalie; Mel'nikov, Mikhail Ya; Robertson, Craig C.; Meijer, Anthony J. H. M.; Weinstein, Julia A.","Sterically hindered Re- and Mn-CO<sub>2</sub> reduction catalysts for solar energy conversion.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4230","4243","10.1039/d0dt00252f","","","0.71073","MoKα","","0.1961","0.0947","","","0.2175","0.2798","","","","","","1.079","","","","has coordinates,has disorder","251639","2020-10-21","18:00:00",""
"7703568","27.1551","0.0016","20.3001","0.0012","50.38","0.003","90","","100.579","0.001","90","","27300","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C171 H98 N10 O92 Si3 U12 -","- C96 H38 O92 Si3 U12 -","- C384 H152 O368 Si12 U48 -","4","0.5","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.1199","0.089","","","0.2008","0.214","","","","","","1.077","","","","has coordinates,has disorder","250293","2020-10-21","18:00:00",""
"7703569","9.184","0.005","10.534","0.005","16.288","0.008","98.949","0.009","90.855","0.009","100.674","0.01","1528.1","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 O16 Si U2 -","- C22 H23 O16 Si U2 -","- C44 H46 O32 Si2 U4 -","2","1","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.0679","0.0452","","","0.1061","0.1169","","","","","","0.971","","","","has coordinates","250293","2020-10-21","18:00:00",""
"7703570","14.2639","0.0013","16.2562","0.0015","17.8214","0.0016","76.477","0.002","81.425","0.002","73.681","0.002","3840.5","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H34 O27 Si2 U5 -","- C54 H34 O27 Si2 U5 -","- C108 H68 O54 Si4 U10 -","2","1","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.0732","0.0431","","","0.1055","0.1189","","","","","","1.005","","","","has coordinates,has disorder","250293","2020-10-21","18:00:00",""
"7703571","21.9739","0.0006","21.9739","0.0006","37.455","0.002","90","","90","","90","","18085.2","1.2","150","","150","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H52 O54 Si U6 -","- C32 H12 O34 Si U6 -","- C256 H96 O272 Si8 U48 -","8","0.25","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.036","0.0274","","","0.0723","0.0745","","","","","","1.065","","","","has coordinates","250293","2020-10-21","18:00:00",""
"7703572","18.94","0.003","18.94","0.003","38.348","0.005","90","","90","","120","","11913","3","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C11 H3 O5 Zn -","- C11 H3 O5 Zn -","- C198 H54 O90 Zn18 -","18","0.5","","Wu, Han; Li, Mengting; Sun, Chunyi; Wang, Xinlong; Su, Zhongmin","Luminescent metal-organic frameworks encapsulating polycyclic aromatic hydrocarbons for energy transfer.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5087","5091","10.1039/c9dt04047a","","","0.71069","MoKα","","0.0965","0.0746","","","0.2653","0.287","","","","","","1.12","","","","has coordinates,has disorder","251617","2020-10-21","18:00:00",""
"7703573","11.873","0.003","17.868","0.005","18.028","0.005","113.263","0.003","97.23","","105.296","0.003","3273","1.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H103 Cu F6 N P3 -","- C70 H103 Cu F6 N P3 -","- C140 H206 Cu2 F12 N2 P6 -","2","1","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71075","MoKα","","0.0688","0.0531","","","0.1221","0.1398","","","","","","1.102","","","","has coordinates,has disorder","250306","2020-10-21","18:00:00",""
"7703574","13.726","0.002","14.204","0.002","14.966","0.003","88.769","0.007","77.711","0.006","64.632","0.005","2568","0.7","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H75 Cl2 Cu F6 N O P3 -","- C48 H75 Cl2 Cu F6 N O P3 -","- C96 H150 Cl4 Cu2 F12 N2 O2 P6 -","2","1","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71075","MoKα","","0.0544","0.0471","","","0.1334","0.1397","","","","","","1.067","","","","has coordinates","250306","2020-10-21","18:00:00",""
"7703575","10.4742","0.0002","17.0519","0.0003","19.2242","0.0004","87.4499","0.0015","85.4988","0.0016","76.9395","0.0017","3333.14","0.11","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H111 Cu F6 N P3 -","- C69 H111 Cu F6 N P3 -","- C138 H222 Cu2 F12 N2 P6 -","2","1","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71073","MoKα","","0.0838","0.0681","","","0.1845","0.2037","","","","","","1.047","","","","has coordinates,has disorder","250306","2020-10-21","18:00:00",""
"7703576","20.6335","0.0004","18.0324","0.0004","40.1676","0.0007","90","","100.03","0.0018","90","","14716.8","0.5","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77 H116 Cu F6 N O1.5 P3 -","- C77 H116 Cu F6 N O1.5 P3 -","- C616 H928 Cu8 F48 N8 O12 P24 -","8","2","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71073","MoKα","","0.1164","0.0655","","","0.1499","0.1796","","","","","","1.028","","","","has coordinates,has disorder","250306","2020-10-21","18:00:00",""
"7703577","13.4305","0.0003","20.3724","0.0005","20.9305","0.0006","62.479","0.003","88.556","0.002","88.368","0.002","5076.3","0.3","100.01","0.17","100.01","0.17","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Lu N10 O62 Si W12 -","- C67 H99 Lu N10 O62 Si W12 -","- C134 H198 Lu2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0385","0.0322","","","0.0764","0.0793","","","","","","1.071","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703578","13.4403","0.0003","20.383","0.0006","20.9638","0.0007","62.559","0.003","88.382","0.002","88.22","0.002","5093.8","0.3","99.99","0.16","99.99","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Ho N10 O62 Si W12 -","- C67 H99 Ho N10 O62 Si W12 -","- C134 H198 Ho2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0414","0.0326","","","0.0684","0.073","","","","","","1.016","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703579","13.4362","0.0003","20.3814","0.0004","20.9477","0.0005","62.544","0.002","88.5082","0.0018","88.3316","0.0017","5087.7","0.2","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 N10 O62 Si W12 Yb -","- C67 H101 N10 O62 Si W12 Yb -","- C134 H202 N20 O124 Si2 W24 Yb2 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0434","0.0333","","","0.0707","0.0754","","","","","","1.026","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703580","13.431","0.0003","20.3758","0.0006","20.9395","0.0006","62.537","0.003","88.452","0.002","88.299","0.002","5081.9","0.3","100.01","0.19","100.01","0.19","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 N10 O62 Si Tm W12 -","- C67 H99 N10 O62 Si Tm W12 -","- C134 H198 N20 O124 Si2 Tm2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0374","0.0297","","","0.0666","0.0701","","","","","","1.028","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703581","13.4318","0.0003","20.4071","0.0007","21.0138","0.0007","62.561","0.003","88.22","0.002","88.023","0.002","5108.2","0.3","100.01","0.13","100.01","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 N10 O62 Si Tb W12 -","- C67 H99 N10 O62 Si Tb W12 -","- C134 H198 N20 O124 Si2 Tb2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0464","0.0359","","","0.0754","0.0811","","","","","","1.052","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703582","13.4291","0.0003","20.4068","0.0005","21.0221","0.0006","62.588","0.003","88.1793","0.0019","87.9916","0.0018","5110.2","0.3","100.01","0.12","100.01","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Gd N10 O62 Si W12 -","- C67 H99 Gd N10 O62 Si W12 -","- C134 H198 Gd2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.04","0.0308","","","0.0641","0.0684","","","","","","1.059","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703583","13.4365","0.0003","20.3963","0.0005","20.9995","0.0006","62.581","0.003","88.293","0.002","88.125","0.002","5105.1","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Dy N10 O62 Si W12 -","- C67 H99 Dy N10 O62 Si W12 -","- C134 H198 Dy2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.043","0.0298","","","0.0581","0.0625","","","","","","1.051","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703584","13.4518","0.0003","20.4208","0.0006","21.0413","0.0005","62.578","0.003","88.041","0.002","87.902","0.002","5126.1","0.3","99.98","0.13","99.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Eu N10 O62 Si W12 -","- C67 H99 Eu N10 O62 Si W12 -","- C134 H198 Eu2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","1.54178","CuKα","","0.0541","0.0472","","","0.1186","0.1252","","","","","","1.027","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703585","13.4347","0.0003","20.3834","0.0004","20.96","0.0005","62.557","0.002","88.406","0.002","88.249","0.002","5090.9","0.2","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Er N10 O62 Si W12 -","- C67 H99 Er N10 O62 Si W12 -","- C134 H198 Er2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0376","0.0285","","","0.0624","0.066","","","","","","1.012","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703586","18.3452","0.0004","12.386","0.0003","19.8824","0.0004","90","","111.973","0.008","90","","4189.6","0.3","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H48 Au2 N2 Ni O10 P2 S2 -","- C33 H36 Au2 N2 Ni O4 P2 S2 -","- C132 H144 Au8 N8 Ni4 O16 P8 S8 -","4","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1028","0.0647","","","0.1105","0.122","","","","","","1.016","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703587","10.5688","0.0002","15.8075","0.0003","16.1811","0.0004","106.128","0.008","99.779","0.007","104.476","0.007","2429.8","0.2","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C34 H52 Au2 N2 Ni O11 P2 S2 -","- C34 H38 Au2 N2 Ni O4 P2 S2 -","- C68 H76 Au4 N4 Ni2 O8 P4 S4 -","2","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1219","0.0785","","","0.1672","0.1862","","","","","","1.003","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703588","10.3527","0.0008","15.3022","0.0013","15.8338","0.0013","104.376","0.007","101.422","0.007","102.993","0.007","2280.4","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C34 H52 Au2 N2 O11 P2 S2 Zn -","- C34 H38 Au2 N2 O4 P2 S2 Zn -","- C68 H76 Au4 N4 O8 P4 S4 Zn2 -","2","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.4117","synchrotron","","0.1612","0.1183","","","0.2869","0.3162","","","","","","0.985","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703589","18.4269","0.0004","12.2826","0.0003","20.006","0.0004","90","","111.579","0.008","90","","4210.6","0.3","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H48 Au2 N2 O10 P2 S2 Zn -","- C33 H36 Au2 N2 O4 P2 S2 Zn -","- C132 H144 Au8 N8 O16 P8 S8 Zn4 -","4","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1237","0.0736","","","0.1341","0.1521","","","","","","1.016","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703590","12.4372","0.0013","15.3865","0.0016","24.393","0.002","90","","102.838","0.003","90","","4551.3","0.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 F6 Ir N5 P -","- C47 H33 F6 Ir N5 P -","- C188 H132 F24 Ir4 N20 P4 -","4","1","","Qin, Wei-Wei; Pan, Zheng-Yin; Cai, Dai-Hong; Li, Yi; He, Liang","Cyclometalated iridium(iii) complexes for mitochondria-targeted combined chemo-photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3562","3569","10.1039/d0dt00180e","","","0.71073","MoKα","","0.1855","0.0935","","","0.2394","0.284","","","","","","0.981","","","","has coordinates","250307","2020-10-21","18:00:00",""
"7703591","10.9263","0.001","18.2168","0.0015","18.4634","0.0013","90","","98.987","0.006","90","","3629.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Ni O3 P2 S3 -","- C39 H36 Ni O3 P2 S3 -","- C156 H144 Ni4 O12 P8 S12 -","4","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.1788","0.0814","","","0.1661","0.2102","","","","","","0.882","","","","has coordinates,has disorder","250305","2020-10-21","18:00:00",""
"7703592","12.9389","0.0005","18.1214","0.0011","14.0593","0.0006","90","","105.926","0.005","90","","3170","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Ni O2 P2 S3 -","- C34 H32 Ni O2 P2 S3 -","- C136 H128 Ni4 O8 P8 S12 -","4","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.1558","0.0855","","","0.125","0.1446","","","","","","1.036","","","","has coordinates","250305","2020-10-21","18:00:00",""
"7703593","19.7845","0.0009","15.2433","0.0006","22.34","0.0009","90","","90","","90","","6737.3","0.5","100","2","273.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H36 Ni O3 P2 S2 -","- C35 H36 Ni O3 P2 S2 -","- C280 H288 Ni8 O24 P16 S16 -","8","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.0838","0.0451","","","0.1112","0.1569","","","","","","1.189","","","","has coordinates","250305","2020-10-21","18:00:00",""
"7703594","12.637","0.0012","20.1246","0.0014","14.0596","0.0009","90","","109.096","0.008","90","","3378.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Ni O2 P2 S2 -","- C39 H34 Ni O2 P2 S2 -","- C156 H136 Ni4 O8 P8 S8 -","4","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.1246","0.0757","","","0.1191","0.1348","","","","","","1.059","","","","has coordinates,has disorder","250305","2020-10-21","18:00:00",""
"7703595","18.4889","0.0006","18.4889","0.0006","55.2602","0.0018","90","","90","","120","","16359.3","0.9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H50.5 Cu4 N9.5 O17.5 -","- C39 H24 Cu4 N6 O14 -","- C468 H288 Cu48 N72 O168 -","12","0.333333","","Jiang, Zhenzhen; Zou, Ying; Xu, Tingting; Fan, Lihui; Zhou, Ping; He, Yabing","A hydrostable cage-based MOF with open metal sites and Lewis basic sites immobilized in the pore surface for efficient separation and purification of natural gas and C<sub>2</sub>H<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3553","3561","10.1039/d0dt00402b","","","0.71073","MoKα","","0.0495","0.0458","","","0.2036","0.2129","","","","","","1.004","","","","has coordinates","250297","2020-10-21","18:00:00",""
"7703596","17.13173","0.00012","5.77152","0.00005","23.0206","0.0002","90","","107.05","0.0008","90","","2176.15","0.03","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O2 Pt Se -","- C24 H27 N O2 Pt Se -","- C96 H108 N4 O8 Pt4 Se4 -","4","1","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","x-ray","1.54184","CuKα","","0.0291","0.0284","","","0.0779","0.0786","","","","","","1.0513","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703597","35.3302","0.0002","6.842","0.0001","10.3388","0.0001","90","","90","","90","","2499.19","0.05","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H30 N2 O2 Pt Se -","- C26 H30 N2 O2 Pt Se -","- C104 H120 N8 O8 Pt4 Se4 -","4","0.5","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","x-ray","1.54184","CuKα","","0.0339","0.0339","","","0.0927","0.0927","","","","","","1.222","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703598","5.8878","0.0002","8.7611","0.0003","20.3085","0.0006","90","","90","","90","","1047.59","0.06","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N Se -","- C13 H9 N Se -","- C52 H36 N4 Se4 -","4","1","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","","0.71073","MoKα","","0.0324","0.0287","","","0.0634","0.0658","","","","","","1.059","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703599","16.1302","0.0004","17.213","0.0005","19.109","0.0005","90","","103.268","0.003","90","","5164","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H61 Cl N5 O3 Re -","- C57 H61 Cl N5 O3 Re -","- C228 H244 Cl4 N20 O12 Re4 -","4","1","","Maroń, Anna M; Szlapa-Kula, Agata; Matussek, Marek; Kruszynski, Rafal; Siwy, Mariola; Janeczek, Henryk; Grzelak, Justyna; Maćkowski, Sebastian; Schab-Balcerzak, Ewa; Machura, Barbara","Photoluminescence enhancement of Re(i) carbonyl complexes bearing D-A and D-π-A ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4441","4453","10.1039/c9dt04871e","","","0.71073","MoKα","","0.0689","0.0459","","","0.0859","0.0927","","","","","","1.147","","","","has coordinates,has disorder","251632","2020-10-21","18:00:00",""
"7703600","10.2274","0.0003","9.4057","0.0003","16.1265","0.0005","90","","96.507","0.002","90","","1541.31","0.08","180","2","180","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C20 H46 Cl Cu N4 O3 P2 Se2 -","- C20 H46 Cl Cu N4 O3 P2 Se2 -","- C40 H92 Cl2 Cu2 N8 O6 P4 Se4 -","2","0.5","","Plajer, Alex J.; Lee, Sanha; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.","Charge-assisted phosph(v)azane anion receptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3403","3407","10.1039/d0dt00489h","","","1.54178","CuKα","","0.0511","0.0425","","","0.1","0.1069","","","","","","1.082","","","","has coordinates,has disorder","250299","2020-10-21","18:00:00",""
"7703601","11.382","0.0003","13.3316","0.0003","28.1088","0.0007","90","","98.8212","0.0014","90","","4214.79","0.18","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 B Cu F4 N4 P3 Se2 -","- C34 H53 B Cu F4.003 N4 P3 Se2 -","- C136 H212 B4 Cu4 F16.012 N16 P12 Se8 -","4","1","","Plajer, Alex J.; Lee, Sanha; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.","Charge-assisted phosph(v)azane anion receptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3403","3407","10.1039/d0dt00489h","","","1.54178","CuKα","","0.0638","0.041","","","0.0879","0.0966","","","","","","1.016","","","","has coordinates","250299","2020-10-21","18:00:00",""
"7703602","10.888","0.0004","19.8347","0.0007","28.1508","0.0009","90","","90.458","0.002","90","","6079.3","0.4","180","2","180","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 B2 Cl2 F8 N4 P4 Pd Se2 -","- C52 H68 B2 F8 N4 P4 Pd Se2 -","- C208 H272 B8 F32 N16 P16 Pd4 Se8 -","4","1","","Plajer, Alex J.; Lee, Sanha; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.","Charge-assisted phosph(v)azane anion receptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3403","3407","10.1039/d0dt00489h","","","1.54178","CuKα","","0.0466","0.0379","","","0.0889","0.0938","","","","","","1.024","","","","has coordinates","250299","2020-10-21","18:00:00",""
"7703603","13.9995","0.0001","13.9995","0.0001","13.7306","0.0002","90","","90","","90","","2691.01","0.05","122.98","0.1","122.98","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C11 H23 Al N2 -","- C11 H23 Al N2 -","- C88 H184 Al8 N16 -","8","1","","Chernysheva, Anna M.; Weinhart, Michael; Scheer, Manfred; Timoshkin, Alexey Y.","Normal to abnormal I<sup>t</sup>Bu·AlH<sub>3</sub> isomerization in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4665","4668","10.1039/c9dt04698d","","x-ray","1.54184","CuKα","","0.033","0.0317","","","0.0867","0.0877","","","","","","1.047","","","","has coordinates","251659","2020-10-21","18:00:00",""
"7703604","8.5552","0.0005","11.6275","0.0007","13.9902","0.0008","90","","102.264","0.006","90","","1359.92","0.14","123","0.2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 Al N2 -","- C11 H23 Al N2 -","- C44 H92 Al4 N8 -","4","1","","Chernysheva, Anna M.; Weinhart, Michael; Scheer, Manfred; Timoshkin, Alexey Y.","Normal to abnormal I<sup>t</sup>Bu·AlH<sub>3</sub> isomerization in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4665","4668","10.1039/c9dt04698d","","x-ray","1.54184","CuKα","","0.0649","0.0599","","","0.167","0.1755","","","","","","1.058","","","","has coordinates","251659","2020-10-21","18:00:00",""
"7703605","13.111","0.002","17.693","0.003","17.135","0.003","90","","93.414","0.003","90","","3967.8","1.1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs2 K O43 Se4 Ta6 -","- Cs2 K O43 Se4 Ta6 -","- Cs8 K4 O172 Se16 Ta24 -","4","0.5","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.1017","0.0524","","","0.104","0.1264","","","","","","1.014","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703606","12.289","0.0005","27.3478","0.0011","13.9854","0.0006","90","","114.031","0.001","90","","4292.8","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Er K O50 Se4 Ta6 -","- Cs Er K O50 Se4 Ta6 -","- Cs4 Er4 K4 O200 Se16 Ta24 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0468","0.0394","","","0.0954","0.0994","","","","","","1.038","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703607","12.3034","0.0007","27.2518","0.0015","14.0071","0.0008","90","","113.928","0.001","90","","4292.8","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs K O50 Se4 Ta6 Tb -","- Cs K O50 Se4 Ta6 Tb -","- Cs4 K4 O200 Se16 Ta24 Tb4 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0435","0.037","","","0.0908","0.0941","","","","","","1.012","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703608","12.2606","0.0005","27.0796","0.0012","13.9404","0.0006","90","","114.092","0.001","90","","4225.2","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Dy K O50 Se4 Ta6 -","- Cs Dy K O50 Se4 Ta6 -","- Cs4 Dy4 K4 O200 Se16 Ta24 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0603","0.0466","","","0.1143","0.1233","","","","","","1.008","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703609","12.3009","0.0007","27.3358","0.0017","14.0022","0.0008","90","","114.018","0.001","90","","4300.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Ho K O50 Se4 Ta6 -","- Cs Ho K O50 Se4 Ta6 -","- Cs4 Ho4 K4 O200 Se16 Ta24 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0693","0.0433","","","0.0911","0.1032","","","","","","1.027","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703610","12.2568","0.0007","27.2994","0.0016","13.9755","0.0008","90","","114.166","0.001","90","","4266.4","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs K O50 Se4 Ta6 Yb -","- Cs K O50 Se4 Ta6 Yb -","- Cs4 K4 O200 Se16 Ta24 Yb4 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0565","0.0413","","","0.0921","0.0997","","","","","","1.018","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703611","12.268","0.002","27.321","0.005","13.983","0.002","90","","114.134","0.003","90","","4277.1","1.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs K O50 Se4 Ta6 Tm -","- Cs K O50 Se4 Ta6 Tm -","- Cs4 K4 O200 Se16 Ta24 Tm4 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0697","0.0465","","","0.103","0.1141","","","","","","1.029","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703612","19.078","0.005","12.031","0.003","17.935","0.004","90","","113.406","0.012","90","","3777.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 Cl4 Cu2 N12 O22 -","- C76 H64 Cl4 Cu2 N12 O22 -","- C152 H128 Cl8 Cu4 N24 O44 -","2","0.5","","Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.","Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4100","4113","10.1039/d0dt00209g","","","0.71073","MoKα","","0.0989","0.0825","","","0.2189","0.2326","","","","","","1.117","","","","has coordinates","250290","2020-10-21","18:00:00",""
"7703613","9.1079","0.0004","12.5746","0.0004","14.8504","0.0007","70.65","0.004","88.016","0.004","73.255","0.004","1533.18","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cl2 Cu N5 O11 -","- C28 H27 Cl2 Cu N5 O11 -","- C56 H54 Cl4 Cu2 N10 O22 -","2","1","","Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.","Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4100","4113","10.1039/d0dt00209g","","","0.71073","MoKα","","0.0486","0.0427","","","0.1152","0.1208","","","","","","1.057","","","","has coordinates","250290","2020-10-21","18:00:00",""
"7703614","9.6483","0.0004","12.9618","0.0006","20.917","0.0009","91.46","0.003","100.086","0.003","107.065","0.003","2453.82","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H45 Cl2 Cu N7 O14 -","- C50 H45 Cl2 Cu N7 O14 -","- C100 H90 Cl4 Cu2 N14 O28 -","2","1","","Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.","Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4100","4113","10.1039/d0dt00209g","","","0.71073","MoKα","","0.086","0.0768","","","0.1962","0.2029","","","","","","1.169","","","","has coordinates","250290","2020-10-21","18:00:00",""
"7703615","10.9799","0.0005","14.7027","0.0005","35.1126","0.0009","90","","90","","90","","5668.4","0.4","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0835","0.0518","","","0.0753","0.0856","","","","","","1.007","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703616","11.9655","0.0004","20.1151","0.0005","49.045","0.003","90","","90","","90","","11804.5","0.9","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","8","2","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.1523","0.1029","","","0.1685","0.1984","","","","","","1.073","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703617","12.11044","0.00017","20.7626","0.0004","21.0868","0.0004","90","","90","","90","","5302.15","0.16","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C101 H83 Fe2 O14 P4 Ru6 S2 -","- C101 H83 Fe2 O14 P4 Ru6 S2 -","- C202 H166 Fe4 O28 P8 Ru12 S4 -","2","0.5","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","","","0.0704","0.0503","","","0.1054","0.1184","","","","","","1.045","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703618","10.4751","0.0002","17.546","0.0004","30.9412","0.0008","90","","90","","90","","5686.9","0.2","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 Fe O7 P2 Ru3 S -","- C49 H50 Fe O7 P2 Ru3 S -","- C196 H200 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0416","0.0322","","","0.0629","0.0666","","","","","","1.008","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703619","15.06019","0.00016","18.1823","0.0002","15.73196","0.00019","90","","90","","90","","4307.87","0.08","170","2","170","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C43 H46 Fe O7 P2 Ru3 S -","- C43 H46 Fe O7 P2 Ru3 S -","- C172 H184 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0378","0.03","","","0.0608","0.0645","","","","","","1.077","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703620","14.9044","0.0002","24.9178","0.0004","14.7954","0.0002","90","","99.887","0.001","90","","5413.18","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0249","0.0218","","","0.0511","0.0526","","","","","","1.027","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703621","17.9576","0.0009","59.4487","0.0011","10.978","0.005","90","","90","","90","","11720","5","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C106 H68 F24 Fe2 O14 P4 Ru6 S2 -","- C106 H68 F24 Fe2 O14 P4 Ru6 S2 -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","x-ray","0.71073","MoKα","","0.0762","0.0675","","","0.1872","0.1922","","","","2","2","1.94","","","","has coordinates","288072","2023-12-06","13:08:12",""
"7703622","20.839","0.011","18.237","0.009","21.622","0.011","90","","99.994","0.007","90","","8093","7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H62 Fe2 Mo12 N4 Na4 O71 P8 -","- C26 H32 Fe2 Mo12 N4 Na4 O71 P8 -","- C104 H128 Fe8 Mo48 N16 Na16 O284 P32 -","4","0.5","","Xin, Xing; Hu, Na; Ma, Yuanyuan; Wang, Yali; Hou, Lin; Zhang, Heng; Han, Zhangang","Polyoxometalate-based crystalline materials as a highly sensitive electrochemical sensor for detecting trace Cr(vi).","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4570","4577","10.1039/d0dt00446d","","","0.71073","MoKα","","0.0427","0.0413","","","0.122","0.1232","","","","","","1.064","","","","has coordinates,has disorder","251631","2020-10-21","18:00:00",""
"7703623","14.478","0.008","15.038","0.009","26.595","0.015","79.208","0.008","81.821","0.008","70.161","0.007","5331","5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H184 Fe2 Mo24 N16 O137 P16 -","- C104 H156 Fe2 Mo24 N16 O137 P16 -","- C104 H156 Fe2 Mo24 N16 O137 P16 -","1","0.5","","Xin, Xing; Hu, Na; Ma, Yuanyuan; Wang, Yali; Hou, Lin; Zhang, Heng; Han, Zhangang","Polyoxometalate-based crystalline materials as a highly sensitive electrochemical sensor for detecting trace Cr(vi).","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4570","4577","10.1039/d0dt00446d","","","0.71073","MoKα","","0.0467","0.0429","","","0.1144","0.1177","","","","","","1.059","","","","has coordinates","251631","2020-10-21","18:00:00",""
"7703624","14.085","0.004","15.2","0.005","15.861","0.005","109.863","0.004","110.609","0.004","100.39","0.004","2810.4","1.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 N4 O8.5 Ru S2 -","- C24 H29 N4 O8.5 Ru S2 -","- C96 H116 N16 O34 Ru4 S8 -","4","2","","Yang, Jing; Liu, Bin; Duan, Lele","Structural evolution of the Ru-bms complex to the real water oxidation catalyst of Ru-bda: the bite angle matters.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4369","4375","10.1039/c9dt04693c","","","0.71073","MoKα","","0.0892","0.0506","","","0.1072","0.1214","","","","","","0.964","","","","has coordinates","251634","2020-10-21","18:00:00",""
"7703625","49.6","0.05","13.026","0.016","18.521","0.018","90","","90","","90","","11966","2","298","2","298.03","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C54 H36 Co2 N8 O8 -","- C54 H36 Co2 N8 O8 -","- C432 H288 Co16 N64 O64 -","8","1","","Zhang, Xiao; Wang, Lu-Jie; Han, Zhen; Meng, Xing; Wang, Hai-Ning; Zhou, Zi-Yan; Su, Zhong-Min","Degradation of azo dyes under visible light with stable MOF based on tetrastyrene imidazole ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4352","4357","10.1039/d0dt00415d","","","0.71073","MoKα","","0.2405","0.0986","","","0.2278","0.2871","","","","","","0.988","","","","has coordinates,has disorder","251640","2020-10-21","18:00:00",""
"7703626","12.6375","0.0016","13.5987","0.0017","15.052","0.003","85.585","0.005","65.242","0.003","88.095","0.003","2342","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 Co2 N7 O9 -","- C42 H43 Co2 N3 O9 -","- C84 H86 Co4 N6 O18 -","2","1","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.1644","0.1141","","","0.2577","0.2759","","","","","","1.028","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7703627","9.8382","0.0006","22.024","0.0015","13.1803","0.0009","90","","105.926","0.002","90","","2746.2","0.3","147","2","147.53","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H20 Co1.5 N2.75 O7.5 S1.5 -","- C24 H20 Co1.5 N2.75 O7.5 S1.5 -","- C96 H80 Co6 N11 O30 S6 -","4","1","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.0462","0.0358","","","0.0844","0.0886","","","","","","1.053","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7703628","15.2801","0.0011","23.978","0.0017","28.247","0.002","90","","90","","90","","10349.3","1.3","100","","100","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C56 H42 Co2 N6 O11 -","- C50 H33 Co2 N3 O11 -","- C400 H264 Co16 N24 O88 -","8","0.5","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.1236","0.0836","","","0.2091","0.2314","","","","","","1.059","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7703629","39.286","0.003","11.1011","0.0007","15.0416","0.001","90","","106.197","0.002","90","","6299.5","0.8","140","2","140","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Co1.5 N4 O7 -","- C36 H26 Co1.5 N4 O7 -","- C288 H208 Co12 N32 O56 -","8","1","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.124","0.0642","","","0.0981","0.114","","","","","","1.047","","","","has coordinates","250287","2020-10-21","18:00:00",""
"7703630","13.608","0.0002","12.0908","0.0001","14.8143","0.0002","90","","110.984","0.002","90","","2275.77","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Au Cl N2 -","- C27 H22 Au Cl N2 -","- C108 H88 Au4 Cl4 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","x-ray","0.71073","MoKα","","0.0295","0.0252","","","0.0555","0.0566","","","","","","1.106","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703631","10.7752","0.0002","14.9805","0.0003","17.339","0.0003","90","","96.371","0.002","90","","2781.54","0.09","140.2","0.9","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Au Cl5 N2 -","- C28 H24 Au Cl5 N2 -","- C112 H96 Au4 Cl20 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","","0.71073","Mo-Kα","","0.0305","0.0233","","","0.0467","0.0484","","","","","","1.046","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703632","10.03923","0.00005","10.03923","0.00005","21.99014","0.00018","90","","90","","90","","2216.3","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C25 H26 Au Cl N2 -","- C25 H26 Au Cl N2 -","- C100 H104 Au4 Cl4 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","x-ray","0.71073","MoKα","","0.0138","0.013","","","0.0289","0.0291","","","","","","1.087","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703633","9.327","0.0003","11.8674","0.0005","12.9754","0.0004","105.467","0.003","91.48","0.003","102.873","0.003","1343.84","0.09","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Cl5 N2 Pt -","- C26 H27 Cl5 N2 Pt -","- C52 H54 Cl10 N4 Pt2 -","2","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","","0.71073","Mo-Kα","","0.0589","0.0538","","","0.1344","0.1407","","","","","","1.065","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703634","9.46335","0.00014","19.7083","0.0002","14.0613","0.0002","90","","108.285","0.0015","90","","2490.11","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Au Cl3 N2 -","- C25 H26 Au Cl3 N2 -","- C100 H104 Au4 Cl12 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","x-ray","0.71073","MoKα","","0.0211","0.0184","","","0.0411","0.0418","","","","","","1.053","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703635","23.3898","0.0004","14.3443","0.0002","25.8557","0.0004","90","","107.5","0.002","90","","8273.4","0.2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H49 Eu F18 O8 P2 -","- C83 H49 Eu F18 O8 P2 -","- C332 H196 Eu4 F72 O32 P8 -","4","1","","Kitagawa, Yuichi; Kumagai, Marina; Ferreira da Rosa, P. P.; Fushimi, Koji; Hasegawa, Yasuchika","First demonstration of the π-f orbital interaction depending on the coordination geometry in Eu(iii) luminophores.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3098","3101","10.1039/d0dt00528b","","x-ray","0.71073","MoKα","","0.0681","0.0541","","","0.127","0.1321","","","","","","1.109","","","","has coordinates","250278","2020-10-21","18:00:00",""
"7703636","14.3455","0.0012","14.9749","0.0012","15.6278","0.0012","74.924","0.002","72.614","0.002","65.525","0.002","2879.8","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 Co4 N28 O6 -","- C50 H44 Co4 N28 O6 -","- C100 H88 Co8 N56 O12 -","2","1","","Yang, Jiong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Two azido-bridged homospin Fe(ii)/Co(ii) coordination polymers featuring single-chain magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4805","4810","10.1039/d0dt00181c","","x-ray","0.71073","MoKα","","0.0583","0.0414","","","0.1024","0.11","","","","","","1.02","","","","has coordinates","251657","2020-10-21","18:00:00",""
"7703637","10.4817","0.0011","10.8265","0.0011","13.7875","0.0013","67.79","0.003","82.931","0.003","66.883","0.003","1331.6","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Fe2 N14 O2 -","- C24 H18 Fe2 N14 O2 -","- C48 H36 Fe4 N28 O4 -","2","1","","Yang, Jiong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Two azido-bridged homospin Fe(ii)/Co(ii) coordination polymers featuring single-chain magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4805","4810","10.1039/d0dt00181c","","x-ray","0.71073","MoKα","","0.0397","0.03","","","0.0739","0.0864","","","","","","1.191","","","","has coordinates","251657","2020-10-21","18:00:00",""
"7703638","11.5856","0.0009","12.9455","0.001","13.6796","0.001","80.891","0.003","66.13","0.003","63.965","0.003","1685.3","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H18.5 Br4 Cl3 N4 O2 Zn -","- C33 H18 Br4 Cl3 N4 O2 Zn -","- C66 H36 Br8 Cl6 N8 O4 Zn2 -","2","1","","Ghorai, Pravat; Pal, Kunal; Karmakar, Parimal; Saha, Amrita","The development of two fluorescent chemosensors for the selective detection of Zn<sup>2+</sup> and Al<sup>3+</sup> ions in a quinoline platform by tuning the substituents in the receptor part: elucidation of the structures of the metal-bound chemosensors and biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4758","4773","10.1039/c9dt04902a","","","0.71073","MoKα","","0.2214","0.115","","","0.149","0.1781","","","","","","1.159","","","","has coordinates","251658","2020-10-21","18:00:00",""
"7703639","12.5503","0.0009","14.1977","0.001","16.88","0.0012","90","","101.622","0.002","90","","2946.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Al N7 O9 -","- C32 H20 Al N7 O9 -","- C128 H80 Al4 N28 O36 -","4","1","","Ghorai, Pravat; Pal, Kunal; Karmakar, Parimal; Saha, Amrita","The development of two fluorescent chemosensors for the selective detection of Zn<sup>2+</sup> and Al<sup>3+</sup> ions in a quinoline platform by tuning the substituents in the receptor part: elucidation of the structures of the metal-bound chemosensors and biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4758","4773","10.1039/c9dt04902a","","","0.71073","MoKα","","0.1071","0.0936","","","0.3187","0.3438","","","","","","1.51","","","","has coordinates","251658","2020-10-21","18:00:00",""
"7703640","8.475","0.005","12.071","0.006","15.976","0.009","91.492","0.013","96.673","0.012","108.444","0.012","1536.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","1","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0589","0.0386","","","0.1103","0.1198","","","","","","1.096","","","","has coordinates,has disorder","251637","2020-10-21","18:00:00",""
"7703641","8.4847","0.0012","12.1212","0.0019","16.144","0.002","92.47","0.004","96.645","0.004","107.93","0.004","1563.6","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","1","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.07","0.0521","","","0.1407","0.1616","","","","","","1.111","","","","has coordinates,has disorder","251637","2020-10-21","18:00:00",""
"7703642","7.502","0.004","12.789","0.007","14.764","0.008","90","","90","","90","","1416.5","1.3","93","2","93","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71075","MoKα","","0.0387","0.0342","","","0.0743","0.0765","","","","","","1.059","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703643","8.0135","0.0007","16.2305","0.0012","23.848","0.0018","90","","99.336","0.002","90","","3060.7","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 As F6 Mn N4 O2 -","- C30 H32 As F6 Mn N4 O2 -","- C120 H128 As4 F24 Mn4 N16 O8 -","4","1","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0748","0.047","","","0.1217","0.1456","","","","","","1.079","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703644","7.883","0.003","48.72","0.02","22.888","0.01","90","","99.105","0.012","90","","8680","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H96 As3 F18 Mn3 N12 O6 -","- C90 H96 As3 F18 Mn3 N12 O6 -","- C360 H384 As12 F72 Mn12 N48 O24 -","4","1","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.068","0.0456","","","0.0904","0.0976","","","","","","1.068","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703645","8.0307","0.0015","16.535","0.003","23.878","0.004","90","","98.735","0.005","90","","3133.9","1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 Mn N4 O2 Sb -","- C30 H32 F6 Mn N4 O2 Sb -","- C120 H128 F24 Mn4 N16 O8 Sb4 -","4","1","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0683","0.0417","","","0.0907","0.1023","","","","","","1.023","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703646","7.641","0.003","12.994","0.004","14.716","0.005","90","","90","","90","","1461.1","0.9","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71075","MoKα","","0.0513","0.0443","","","0.1087","0.113","","","","","","1.053","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703647","7.9515","0.0007","16.5772","0.0014","22.8646","0.0019","90","","98.186","0.002","90","","2983.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 Mn N4 O2 Sb -","- C30 H32 F6 Mn N4 O2 Sb -","- C120 H128 F24 Mn4 N16 O8 Sb4 -","4","1","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0399","0.0292","","","0.058","0.0615","","","","","","1.078","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703648","11.088","0.003","12.398","0.003","16.239","0.004","101.544","0.004","100.791","0.004","100.566","0.004","2091.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Fe N9 O9 -","- C45 H47 Fe N9 O9 -","- C90 H94 Fe2 N18 O18 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.1474","0.077","","","0.1762","0.2193","","","","","","1.067","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703649","10.55","0.02","13.14","0.03","28.26","0.07","95.12","0.02","91.64","0.019","107.52","0.05","3715","14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H32 Fe2 N12 O12 -","- C64 H32 Fe2 N12 O12 -","- C128 H64 Fe4 N24 O24 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.1644","0.1197","","","0.2882","0.3019","","","","","","1.413","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703650","17.374","0.003","28.891","0.006","16.217","0.003","90","","90","","90","","8140","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H36 Fe N10 O6 -","- C44 H36 Fe N10 O6 -","- C352 H288 Fe8 N80 O48 -","8","0.5","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.0394","0.0321","","","0.0662","0.0689","","","","","","1.018","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703651","11.6257","0.0011","13.692","0.0012","13.7914","0.0012","106.572","0.0012","111.161","0.0011","94.9087","0.0012","1918.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Fe N12 O6 -","- C42 H32 Fe N12 O6 -","- C84 H64 Fe2 N24 O12 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.0644","0.0541","","","0.1647","0.1778","","","","","","1.288","","","","has coordinates,has disorder","248764","2020-10-21","18:00:00",""
"7703652","9.26","0.007","32.13","0.03","18.517","0.015","90","","103.237","0.009","90","","5363","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H22 B F4 Fe N9 O6 -","- C48 H22 B F4 Fe N9 O6 -","- C192 H88 B4 F16 Fe4 N36 O24 -","4","0.5","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.2146","0.0977","","","0.2502","0.2905","","","","","","0.87","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703653","14.218","0.003","17.474","0.004","15.627","0.004","90","","109.818","0.003","90","","3652.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Fe N9 O5 -","- C41 H37 Fe N9 O5 -","- C164 H148 Fe4 N36 O20 -","4","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.1024","0.0603","","","0.1455","0.176","","","","","","1.039","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703654","11.339","0.003","12.582","0.003","16.37","0.004","100.776","0.004","101.014","0.004","101.059","0.004","2188.4","0.9","270","2","270","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Fe N9 O9 -","- C45 H47 Fe N9 O9 -","- C90 H94 Fe2 N18 O18 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.2732","0.0886","","","0.1564","0.2399","","","","","","1.028","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703655","14.317","0.005","17.962","0.006","15.991","0.005","90","","110.23","0.005","90","","3859","2","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Fe N9 O5 -","- C41 H37 Fe N9 O5 -","- C164 H148 Fe4 N36 O20 -","4","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.3249","0.181","","","0.2736","0.3449","","","","","","1.056","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703656","7.8439","0.0005","7.8757","0.0005","13.5483","0.0009","90","","96.881","0.002","90","","830.93","0.09","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 K N5 O6 -","- C4 H2 K N5 O6 -","- C16 H8 K4 N20 O24 -","4","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.035","0.0274","","","0.0631","0.0684","","","","","","0.95","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703657","7.1753","0.0003","14.9458","0.0006","15.9277","0.0006","90","","90","","90","","1708.1","0.12","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C32 H48 N48 O48 -","8","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.0692","0.0461","","","0.0902","0.0998","","","","","","1.1","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703658","7.1249","0.0014","14.795","0.003","15.912","0.003","90","","90","","90","","1677.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H2 N5 Na O6 -","- C4 H2 N5 Na O6 -","- C32 H16 N40 Na8 O48 -","8","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.0942","0.0592","","","0.1583","0.1803","","","","","","1.116","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703659","12.035","0.002","14.4979","0.0019","30.215","0.005","93.041","0.004","96.612","0.005","113.699","0.004","4766.6","1.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C96 H72 N120 O144 -","24","12","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.176","0.0944","","","0.214","0.26","","","","","","1.044","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703660","11.5468","0.0004","13.4262","0.0003","4.4785","0.0001","90","","90","","90","","694.3","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B Cs H2 O8 P2 -","- B Cs H2 O8 P2 -","- B4 Cs4 H8 O32 P8 -","4","1","","Feng, Yuquan; Li, Zhenke; Zhong, Zhiguo; Wang, Hongwei; Qiu, Dongfang","CsBP<sub>2</sub>O<sub>6</sub>(OH)<sub>2</sub>: a second-order NLO material with a unique borophosphate anionic partial structure and strong SHG effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1388","1392","10.1039/c9dt04358f","","","0.71073","MoKα","","0.0276","0.0274","","","0.0622","0.0623","","","","","","1.093","","","","has coordinates,has disorder","248766","2020-10-21","18:00:00",""
"7703661","22.745","0.007","16.871","0.005","18.568","0.006","90","","104.513","0.004","90","","6898","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H51 N2 Na O5.5 -","- C35.5 H47 N2 Na O5.5 -","- C284 H376 N16 Na8 O44 -","8","1","","Devaine-Pressing, Katalin; Oldenburg, Fabio J.; Menzel, Jan P.; Springer, Maximilian; Dawe, Louise N.; Kozak, Christopher M.","Lithium, sodium, potassium and calcium amine-bis(phenolate) complexes in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1531","1544","10.1039/c9dt04561a","","","0.71075","MoKα","","0.0905","0.0789","","","0.2156","0.2275","","","","","","1.091","","","","has coordinates","248767","2020-10-21","18:00:00",""
"7703662","17.399","0.007","12.202","0.005","19.503","0.01","90","","127.7","0.009","90","","3276","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Li N2 O4 -","- C37 H47 Li N2 O4 -","- C148 H188 Li4 N8 O16 -","4","1","","Devaine-Pressing, Katalin; Oldenburg, Fabio J.; Menzel, Jan P.; Springer, Maximilian; Dawe, Louise N.; Kozak, Christopher M.","Lithium, sodium, potassium and calcium amine-bis(phenolate) complexes in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1531","1544","10.1039/c9dt04561a","","","0.71075","MoKα","","0.2006","0.1163","","","0.1988","0.2396","","","","","","1.082","","","","has coordinates","248767","2020-10-21","18:00:00",""
"7703663","15.9504","0.0012","7.0252","0.0004","12.0267","0.0008","90","","118.914","0.007","90","","1179.66","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Cd N6 O8 Pb2 -","- C6 H4 Cd N6 O8 Pb2 -","- C24 H16 Cd4 N24 O32 Pb8 -","4","0.5","","Meng, Xianghe; Kang, Kaijin; Liang, Fei; Tang, Jian; Lin, Zheshuai; Yin, Wenlong; Xia, Mingjun","""Old dog, new tricks"": the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1370","1374","10.1039/c9dt04313f","","","0.71073","MoKα","","0.0197","0.0181","","","0.0448","0.0455","","","","","","1.062","","","","has coordinates","248768","2020-10-21","18:00:00",""
"7703664","16.6034","0.0011","6.7166","0.0003","12.4132","0.0006","90","","117.563","0.006","90","","1227.19","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N6 O8 Pb3 -","- C6 H4 N6 O8 Pb3 -","- C24 H16 N24 O32 Pb12 -","4","0.5","","Meng, Xianghe; Kang, Kaijin; Liang, Fei; Tang, Jian; Lin, Zheshuai; Yin, Wenlong; Xia, Mingjun","""Old dog, new tricks"": the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1370","1374","10.1039/c9dt04313f","","","0.71073","MoKα","","0.0203","0.0194","","","0.0448","0.0451","","","","","","1.111","","","","has coordinates","248768","2020-10-21","18:00:00",""
"7703665","18.197","0.0009","16.7678","0.0008","17.77","0.0009","90","","107.426","0.0014","90","","5173.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 N11.5 O22.5 Re2.5 -","- C36 H64 N11.5 O22.5 Re2.5 -","- C144 H256 N46 O90 Re10 -","4","1","","Thevenet, Alexiane; Marie, Cécile; Tamain, Christelle; Amendola, Valeria; Miljkovic, Ana; Guillaumont, Dominique; Boubals, Nathalie; Guilbaud, Philippe","Perrhenate and pertechnetate complexation by an azacryptand in nitric acid medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1446","1455","10.1039/c9dt04314d","","","0.71073","MoKα","","0.0462","0.0326","","","0.0756","0.0821","","","","","","0.961","","","","has coordinates","248769","2020-10-21","18:00:00",""
"7703666","15.2146","0.0006","22.3485","0.0008","26.8017","0.0012","90","","102.122","0.004","90","","8910","0.6","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H80 B3 Co5 F12 N25 O4 -","- C88 H78 B3 Co5 F12 N25 O4 -","- C352 H312 B12 Co20 F48 N100 O16 -","4","1","","Akai, Takuya; Kondo, Mio; Lee, Sze Koon; Izu, Hitoshi; Enomoto, Takafumi; Okamura, Masaya; Saga, Yutaka; Masaoka, Shigeyuki","Effect of metal ion substitution on the catalytic activity of a pentanuclear metal complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1384","1387","10.1039/c9dt04684d","","x-ray","0.71073","MoKα","","0.1469","0.075","","","0.1828","0.228","","","","","","1.03","","","","has coordinates","248770","2020-10-21","18:00:00",""
"7703667","21.827","0.002","11.6814","0.001","22.747","0.002","90","","90","","90","","5799.8","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","smp_09","","","- C35 H32 Fe2 N3 O -","- C35 H31 Fe2 N3 O -","- C280 H248 Fe16 N24 O8 -","8","1","","Prabu, Selvam; David, Ezhumalai; Viswanathan, Thamodharan; Thirumoorthy, Krishnan; Panda, Tamas; Dragonetti, Claudia; Colombo, Alessia; Marinotto, Daniele; Righetto, Stefania; Roberto, Dominique; Palanisami, Nallasamy","NLO-active Y-shaped ferrocene conjugated imidazole chromophores as precursors for SHG polymeric films.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1854","1863","10.1039/c9dt03637g","","","0.71073","MoKα","","0.1634","0.055","","","0.133","0.1884","","","","","","0.863","","","","has coordinates","248771","2020-10-21","18:00:00",""
"7703668","15.2965","0.0005","8.4134","0.0002","13.8289","0.0004","90","","107.437","0.004","90","","1697.93","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Co K N8 -","- C12 H20 Co K N8 -","- C48 H80 Co4 K4 N32 -","4","0.5","","Rok, Magdalena; Zarychta, Bartosz; Moskwa, Marcin; Dziuk, Błażej; Medycki, Wojciech; Bator, Grażyna","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KCo(CN)<sub>6</sub>] and mixed [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>] double perovskite hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1830","1838","10.1039/c9dt04703d","","","0.71073","MoKα","","0.0258","0.0233","","","0.063","0.0649","","","","","","1.036","","","","has coordinates,has disorder","248772","2020-10-21","18:00:00",""
"7703669","12.0813","0.0002","12.0813","0.0002","12.0813","0.0002","90","","90","","90","","1763.36","0.05","360","0.1","360","0.1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H40 Co2 K2 N16 -","- C24 H40.0032 Co2 K2 N16 -","- C48 H80.0064 Co4 K4 N32 -","2","0.0104167","","Rok, Magdalena; Zarychta, Bartosz; Moskwa, Marcin; Dziuk, Błażej; Medycki, Wojciech; Bator, Grażyna","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KCo(CN)<sub>6</sub>] and mixed [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>] double perovskite hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1830","1838","10.1039/c9dt04703d","","","0.71073","MoKα","","0.0382","0.0308","","","0.0973","0.1014","","","","","","1.156","","","","has coordinates","248772","2020-10-21","18:00:00",""
"7703670","11.958","0.003","15.817","0.004","16.28","0.005","82.222","0.006","69.979","0.006","78.914","0.006","2831","1.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Bi3 I9 O8 S8 -","- C16 H36 Bi3 I9 O8 S8 -","- C32 H72 Bi6 I18 O16 S16 -","2","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Non-transient thermo-/photochromism of iodobismuthate hybrids directed by solvated metal cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1847","1853","10.1039/c9dt04818a","","","0.71073","MoKα","","0.2368","0.1541","","","0.3401","0.3981","","","","","","1.036","","","","has coordinates","248773","2020-10-21","18:00:00",""
"7703671","12.0219","0.0014","15.8042","0.0019","16.282","0.002","82.124","0.003","69.973","0.003","78.89","0.003","2843.5","0.6","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H45 Bi2 I9 La O8 S8 -","- C16 H45 Bi2 I9 La O8 S8 -","- C32 H90 Bi4 I18 La2 O16 S16 -","2","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Non-transient thermo-/photochromism of iodobismuthate hybrids directed by solvated metal cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1847","1853","10.1039/c9dt04818a","","","0.71073","MoKα","","0.1031","0.0635","","","0.1663","0.1928","","","","","","1.059","","","","has coordinates","248773","2020-10-21","18:00:00",""
"7703672","10.3933","0.0004","11.9336","0.0004","15.6945","0.0006","87.39","","85.67","","72.08","","1846.35","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H51 Al3 La N O -","- C33.5 H51 Al3 La N O -","- C67 H102 Al6 La2 N2 O2 -","2","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0255","0.0229","","","0.0589","0.0611","","","","","","1.075","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703673","11.1015","0.0009","21.7863","0.0018","13.0879","0.001","90","","104.751","0.001","90","","3061.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Al3 Lu N O -","- C29 H43 Al3 Lu N O -","- C116 H172 Al12 Lu4 N4 O4 -","4","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0488","0.0303","","","0.0545","0.0612","","","","","","1.019","","","","has coordinates","248774","2020-10-21","18:00:00",""
"7703674","10.6177","0.0003","11.4277","0.0004","16.3857","0.0004","93.045","0.002","99.235","0.001","112.817","0.001","1794.24","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H51 Al3 N Nd O -","- C33.5 H51 Al3 N Nd O -","- C67 H102 Al6 N2 Nd2 O2 -","2","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.026","0.0233","","","0.058","0.0596","","","","","","1.034","","","","has coordinates","248774","2020-10-21","18:00:00",""
"7703675","10.6476","0.0004","13.3042","0.0006","22.2103","0.0009","90","","90","","90","","3146.3","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 Al3 Lu N O -","- C29 H43 Al3 Lu N O -","- C116 H172 Al12 Lu4 N4 O4 -","4","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0123","0.0121","","","0.0321","0.0322","","","","","","1.042","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703676","17.8953","0.0013","10.0184","0.0008","20.9266","0.0015","90","","109.621","0.003","90","","3533.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H51 Al3 N O Y -","- C33.5 H51 Al3 N O Y -","- C134 H204 Al12 N4 O4 Y4 -","4","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0563","0.0446","","","0.097","0.1007","","","","","","1.123","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703677","10.3672","0.0004","12.9566","0.0005","14.9981","0.0006","99.106","0.002","95.286","0.002","109.956","0.002","1846.44","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H55 Al3 N O Y -","- C35 H55 Al3 N O Y -","- C70 H110 Al6 N2 O2 Y2 -","2","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0333","0.0307","","","0.0798","0.0817","","","","","","1.028","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703678","11.98","0.005","12.321","0.005","12.797","0.005","76.231","0.005","75.919","0.005","83.363","0.005","1776.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Cl2 Cu3 N28 O26 -","- C62 H72 Cl2 Cu3 N28 O26 -","- C62 H72 Cl2 Cu3 N28 O26 -","1","0.5","","Wu, Xue-Song; Cheng, Dong-Ming; Wang, Xin-Long; Sun, Jing; Zang, Hong-Ying; Su, Zhong-Min","Syntheses of cucurbit[6]uril-based metal-organic rotaxane networks by the anion regulation strategy and their proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1747","1751","10.1039/c9dt04172a","","","0.71069","MoKα","","0.067","0.0464","","","0.1303","0.1606","","","","","","1.098","","","","has coordinates","248775","2020-10-21","18:00:00",""
"7703679","12.758","0.005","14.636","0.005","14.677","0.005","80.719","0.005","68.722","0.005","84.291","0.005","2517.8","1.6","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H110 Cu7 N28 O55 -","- C70 H106 Cu7 N28 O55 -","- C70 H106 Cu7 N28 O55 -","1","0.5","","Wu, Xue-Song; Cheng, Dong-Ming; Wang, Xin-Long; Sun, Jing; Zang, Hong-Ying; Su, Zhong-Min","Syntheses of cucurbit[6]uril-based metal-organic rotaxane networks by the anion regulation strategy and their proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1747","1751","10.1039/c9dt04172a","","","0.71069","MoKα","","0.089","0.0592","","","0.1566","0.1788","","","","","","1.054","","","","has coordinates,has disorder","248775","2020-10-21","18:00:00",""
"7703680","7.2787","0.0016","9.128","0.002","25.164","0.006","90","","90","","90","","1671.9","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Co N2 O3 -","- C20 H18 Co N2 O3 -","- C80 H72 Co4 N8 O12 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0629","0.0415","","","0.0937","0.1042","","","","","","0.985","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703681","7.225","0.003","9.06","0.004","25.026","0.01","90","","90","","90","","1638.2","1.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Co0 N2 O3 Zn -","- C20 H18 N2 O3 Zn -","- C80 H72 N8 O12 Zn4 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0668","0.0479","","","0.1266","0.1374","","","","","","1.062","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703682","7.2405","0.0012","9.0605","0.0013","25.074","0.004","90","","90","","90","","1644.9","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 N2 O3 Zn -","- C20 H18 N2 O3 Zn -","- C80 H72 N8 O12 Zn4 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0742","0.0509","","","0.1108","0.1205","","","","","","1.086","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703683","12.36586","0.00011","26.05266","0.00018","11.08994","0.0001","90","","114.209","0.0011","90","","3258.57","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H59 B2 N P2 -","- C29 H59 B2 N P2 -","- C116 H236 B8 N4 P8 -","4","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0515","0.0471","","","0.126","0.1304","","","","","","1.029","","","","has coordinates","248777","2020-10-21","18:00:00",""
"7703684","25.6216","0.0004","7.714","0.0001","35.6578","0.0006","90","","102.897","0.002","90","","6869.8","0.19","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H62 B2 N O2 P2 -","- C30 H62 B2 N O2 P2 -","- C240 H496 B16 N8 O16 P16 -","8","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0586","0.0448","","","0.1081","0.1119","","","","","","0.917","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703685","13.44737","0.0001","13.57276","0.0001","38.9533","0.0003","90","","94.8285","0.0007","90","","7084.44","0.09","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H69 B F24 N O2 P2 Rh -","- C71 H69 B F24 N O2 P2 Rh -","- C284 H276 B4 F96 N4 O8 P8 Rh4 -","4","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0792","0.0768","","","0.1977","0.1994","","","","","","1.11","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703686","26.48866","0.00018","18.27115","0.00017","27.8172","0.0002","90","","93.5082","0.0006","90","","13437.7","0.18","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H62 B Cl F24 N O3 P2 Rh -","- C60.5 H62 B Cl F24 N O3 P2 Rh -","- C484 H496 B8 Cl8 F192 N8 O24 P16 Rh8 -","8","2","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0862","0.0719","","","0.1919","0.2087","","","","","","1.028","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703687","13.6274","0.00016","13.36471","0.00014","39.2179","0.0005","90","","95.3071","0.001","90","","7111.99","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H73 B F24 N P2 Rh -","- C73 H73 B F24 N P2 Rh -","- C292 H292 B4 F96 N4 P8 Rh4 -","4","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","0.71073","MoKα","","0.0421","0.036","","","0.0864","0.0901","","","","","","1.035","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703688","8.9454","0.0009","9.7562","0.0009","10.7268","0.001","89.496","0.004","87.482","0.005","71.661","0.004","887.74","0.15","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cl3 Co N4 -","- C18 H11 Cl3 Co N4 -","- C36 H22 Cl6 Co2 N8 -","2","1","","Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.","Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8448","8459","10.1039/d0dt00394h","","","0.71073","MoKα","","0.0512","0.0399","","","0.1083","0.1186","","","","","","1.043","","","","has coordinates","253898","2020-10-21","18:00:00",""
"7703689","8.7","0.3","12.8","0.3","15.5","0.5","75.4","0.7","89.2","1.1","89.9","0.5","1670","9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cl4 Co2 N8 -","- C36 H24 Cl4 Co2 N8 -","- C72 H48 Cl8 Co4 N16 -","2","1","","Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.","Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8448","8459","10.1039/d0dt00394h","","","0.71073","MoKα","","0.1787","0.0613","","","0.0923","0.1084","","","","","","1.139","","","","has coordinates","253898","2020-10-21","18:00:00",""
"7703690","8.4667","0.0007","10.9982","0.0009","12.1179","0.001","101.699","0.002","98.267","0.002","90.736","0.002","1092.45","0.16","127","2","127","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl2 Co N6 -","- C24 H16 Cl2 Co N6 -","- C48 H32 Cl4 Co2 N12 -","2","1","","Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.","Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8448","8459","10.1039/d0dt00394h","","","0.71073","MoKα","","0.0437","0.0324","","","0.0799","0.0848","","","","","","1.079","","","","has coordinates,has disorder","253898","2020-10-21","18:00:00",""
"7703691","7.906","0.0008","11.3704","0.0011","13.0336","0.0013","67.016","0.002","88.956","0.002","74.969","0.002","1037.18","0.18","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 Co2 N2 O26 -","- C36 H50 Co2 N2 O26 -","- C36 H50 Co2 N2 O26 -","1","0.5","","Liu, Jinjian; Lu, Yiwei; Lu, Wenbo","Metal-dependent photosensitivity of three isostructural 1D CPs based on the 1,1'-bis(3-carboxylatobenzyl)-4,4'-bipyridinium moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4044","4049","10.1039/d0dt00157k","","","0.71073","MoKα","","0.0351","0.032","","","0.0882","0.0904","","","","","","1.058","","","","has coordinates","250292","2020-10-21","18:00:00",""
"7703692","7.9165","0.0007","11.3395","0.001","12.9997","0.0011","66.934","0.002","89.039","0.002","75.182","0.002","1033.39","0.16","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N2 Ni2 O26 -","- C36 H50 N2 Ni2 O26 -","- C36 H50 N2 Ni2 O26 -","1","0.5","","Liu, Jinjian; Lu, Yiwei; Lu, Wenbo","Metal-dependent photosensitivity of three isostructural 1D CPs based on the 1,1'-bis(3-carboxylatobenzyl)-4,4'-bipyridinium moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4044","4049","10.1039/d0dt00157k","","","0.71073","MoKα","","0.039","0.0367","","","0.1052","0.107","","","","","","1.074","","","","has coordinates","250292","2020-10-21","18:00:00",""
"7703693","7.9095","0.0011","11.3558","0.0015","13.058","0.0017","67.002","0.003","89.013","0.003","75.004","0.003","1038.2","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N2 O26 Zn2 -","- C36 H50 N2 O26 Zn2 -","- C36 H50 N2 O26 Zn2 -","1","0.5","","Liu, Jinjian; Lu, Yiwei; Lu, Wenbo","Metal-dependent photosensitivity of three isostructural 1D CPs based on the 1,1'-bis(3-carboxylatobenzyl)-4,4'-bipyridinium moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4044","4049","10.1039/d0dt00157k","","","0.71073","MoKα","","0.0384","0.0353","","","0.1007","0.1036","","","","","","1.041","","","","has coordinates","250292","2020-10-21","18:00:00",""
"7703694","9.7033","0.0004","10.0984","0.0004","11.5708","0.0004","99.098","0.001","107.096","0.001","98.352","0.001","1047.75","0.07","173","2","173","","","","","","","","","6","P -1","-P 1","2","","JNB017","","- C24 H8 B F10 N S -","- C24 H8 B F10 N S -","- C48 H16 B2 F20 N2 S2 -","2","1","","Bentley, Jordan N.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","Bis(pentafluorophenyl)phenothiazylborane - an intramolecular frustrated Lewis pair catalyst for stannane dehydrocoupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16054","16058","10.1039/d0dt00506a","","","0.71073","MoKα","","0.1575","0.097","","","0.201","0.2497","","","","","","1.068","","","","has coordinates","260784","2021-01-07","06:30:07",""
"7703695","12.1297","0.0006","12.7797","0.0005","24.5958","0.0011","100.177","0.003","90.169","0.004","111.086","0.003","3492.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B O3 P2 -","- C39 H39 B O3 P2 -","- C156 H156 B4 O12 P8 -","4","2","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.1041","0.0516","","","0.1239","0.163","","","","","","1.06","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703696","10.3384","0.0005","17.0645","0.0008","11.1586","0.0006","90","","91.508","0.002","90","","1967.91","0.17","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H44 B O3 P2 Rh -","- C46 H44 B O3 P2 Rh -","- C92 H88 B2 O6 P4 Rh2 -","2","1","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.0287","0.0245","","","0.0481","0.0498","","","","","","1.093","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703697","10.299","0.004","10.93","0.003","14.818","0.005","76.664","0.012","84.069","0.012","68.725","0.012","1512.1","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 B O3 P2 -","- C37 H29 B O3 P2 -","- C74 H58 B2 O6 P4 -","2","1","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.0912","0.0469","","","0.0969","0.1221","","","","","","1.01","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703698","8.317","0.003","11.854","0.004","11.878","0.003","99.213","0.007","105.491","0.008","107.793","0.007","1036.6","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 O P -","- C25 H27 O P -","- C50 H54 O2 P2 -","2","1","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.0939","0.0491","","","0.0931","0.1077","","","","","","1.013","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703699","11.0144","0.0016","11.8183","0.0017","13.2158","0.0019","90","","90","","90","","1720.3","0.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 Cl2 Ir N2 O2 -","- C14 H23 Cl2 Ir N2 O2 -","- C56 H92 Cl8 Ir4 N8 O8 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.0353","0.0348","","","0.0865","0.0868","","","","","","1.074","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703700","28.918","0.008","28.918","0.008","12.364","0.003","90","","90","","120","","8954","4","93","","93","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H21 Cl Ir K N2 O2 -","- C14 H21 Cl Ir K N2 O2 -","- C252 H378 Cl18 Ir18 K18 N36 O36 -","18","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.054","0.0434","","","0.092","0.0981","","","","","","1.017","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703701","10.914","0.003","11.526","0.002","13.116","0.003","90","","112.208","0.003","90","","1527.5","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl Ir N2 O2 -","- C14 H22 Cl Ir N2 O2 -","- C56 H88 Cl4 Ir4 N8 O8 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.0464","0.0454","","","0.1088","0.1098","","","","","","1.095","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703702","8.4368","0.0007","9.2545","0.0008","16.2121","0.0014","90","","97.626","0.004","90","","1254.62","0.19","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 N O Zn -","- C10 H23 N O Zn -","- C40 H92 N4 O4 Zn4 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0492","0.0441","","","0.1291","0.136","","","","","","1.056","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703703","8.7333","0.0005","9.0204","0.0006","9.2754","0.0006","74.598","0.003","74.548","0.003","62.454","0.003","615.72","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H23 N O Zn -","- C10 H23 N O Zn -","- C20 H46 N2 O2 Zn2 -","2","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0462","0.0435","","","0.1215","0.1234","","","","","","1.077","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703704","8.9302","0.0003","7.9409","0.0002","16.0244","0.0005","90","","94.905","0.002","90","","1132.19","0.06","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 N O Zn -","- C9 H21 N O Zn -","- C36 H84 N4 O4 Zn4 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0202","0.0181","","","0.0448","0.0457","","","","","","1.048","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703705","9.952","0.005","10.298","0.005","12.228","0.006","72.78","0.02","89.89","0.03","63.71","0.02","1060.9","0.9","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H38 N2 O2 Zn2 -","- C16 H38 N2 O2 Zn2 -","- C32 H76 N4 O4 Zn4 -","2","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0668","0.043","","","0.0956","0.1049","","","","","","0.943","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703706","13.3959","0.0008","10.9681","0.0006","19.05","0.002","90","","100.283","0.007","90","","2754","0.4","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 B Ge N4 -","- C27 H41 B Ge N4 -","- C108 H164 B4 Ge4 N16 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0456","0.0331","","","0.0735","0.0831","","","","","","1.111","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703707","14.103","0.0017","22.561","0.002","18.11","0.0018","90","","112.285","0.006","90","","5331.8","1","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H79 B2 Ge2 N7 -","- C55 H79 B2 Ge2 N7 -","- C220 H316 B8 Ge8 N28 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.1291","0.0678","","","0.1214","0.1517","","","","","","1.093","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703708","16.2361","0.0011","14.0029","0.0013","23.556","0.003","90","","106.592","0.007","90","","5132.5","0.9","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H74 B2 Ge2 N7 -","- C51 H74 B2 Ge2 N7 -","- C204 H296 B8 Ge8 N28 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0827","0.0455","","","0.0855","0.1034","","","","","","1.105","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703709","16.9688","0.0011","11.069","0.0006","15.7622","0.0013","90","","102.325","0.006","90","","2892.3","0.3","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 B Ge N5 -","- C29 H42 B Ge N5 -","- C116 H168 B4 Ge4 N20 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0523","0.0338","","","0.0653","0.074","","","","","","1.115","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703710","13.2217","0.001","13.5451","0.0011","20.1024","0.0015","78.791","0.002","74.532","0.002","66.824","0.002","3173.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H82 B2 F5 Ge2 N6 O -","- C67 H82 B2 F5 Ge2 N6 O -","- C134 H164 B4 F10 Ge4 N12 O2 -","2","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0512","0.0424","","","0.0982","0.1036","","","","","","1.028","","","","has coordinates,has disorder","251662","2020-10-21","18:00:00",""
"7703711","17.935","0.004","13.777","0.003","22.017","0.004","90","","95.854","0.008","90","","5412","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H72 B2 F3 Ge2 N6 O -","- C52 H69 B2 F3 Ge2 N6 O -","- C208 H276 B8 F12 Ge8 N24 O4 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.1428","0.0837","","","0.2252","0.2863","","","","","","1.061","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703712","10.039","0.002","21.238","0.005","21.261","0.004","90","","101.419","0.006","90","","4443.3","1.6","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Au Br N3 O2 -","- C21 H25 Au Br N3 O2 -","- C168 H200 Au8 Br8 N24 O16 -","8","2","","Gallati, Caroline M.; Goetzfried, Sina K.; Ausserer, Marjana; Sagasser, Jessica; Plangger, Matthias; Wurst, Klaus; Hermann, Martin; Baecker, Daniel; Kircher, Brigitte; Gust, Ronald","Synthesis, characterization and biological activity of bromido[3-ethyl-4-aryl-5-(2-methoxypyridin-5-yl)-1-propyl-1,3-dihydro-2H-imidazol-2-ylidene]gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5471","5481","10.1039/c9dt04824c","","","0.71073","MoKα","","0.0434","0.0328","","","0.059","0.0613","","","","","","1.118","","","","has coordinates,has disorder","252759","2020-10-21","18:00:00",""
"7703713","11.338","0.0003","12.5181","0.0003","12.8599","0.0003","70.595","0.002","70.544","0.002","82.812","0.002","1623.01","0.07","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N8 O2 Pd S4 -","- C26 H36 N8 O2 Pd S4 -","- C52 H72 N16 O4 Pd2 S8 -","2","1","","Papadakis, Michael; Barrozo, Alexandre; Straistari, Tatiana; Queyriaux, Nicolas; Putri, Anisa; Fize, Jennifer; Giorgi, Michel; Réglier, Marius; Massin, Julien; Hardré, Renaud; Orio, Maylis","Ligand-based electronic effects on the electrocatalytic hydrogen production by thiosemicarbazone nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5064","5073","10.1039/c9dt04775a","","x-ray","1.54184","CuKα","","0.0423","0.0405","","","0.1099","0.1123","","","","","","1.023","","","","has coordinates","251621","2020-10-21","18:00:00",""
"7703714","7.6311","0.0009","9.9671","0.0011","16.9752","0.0017","90","","90","","90","","1291.1","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H2 N12 O6 -","- C8 H2 N12 O6 -","- C32 H8 N48 O24 -","4","0.5","","Ma, Jinchao; Yang, Hongwei; Tang, Jie; Zhang, Guojie; Yi, Zhenxin; Zhu, Shunguan; Cheng, Guangbin","A novel energetic framework combining the advantages of furazan and triazole: a design for high-performance insensitive explosives.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4675","4679","10.1039/d0dt00498g","","","0.71073","MoKα","","0.0846","0.0474","","","0.0984","0.1148","","","","","","1.025","","","","has coordinates,has disorder","251652","2020-10-21","18:00:00",""
"7703715","5.2901","0.0003","18.3313","0.0011","33.371","0.002","90","","92.366","0.002","90","","3233.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13.33 H19.64 N12 O5.49 S2.67 -","- C13.3333 H19.6373 N12 O5.48533 S2.66667 -","- C80 H117.824 N72 O32.912 S16 -","6","1.5","","Ma, Jinchao; Yang, Hongwei; Tang, Jie; Zhang, Guojie; Yi, Zhenxin; Zhu, Shunguan; Cheng, Guangbin","A novel energetic framework combining the advantages of furazan and triazole: a design for high-performance insensitive explosives.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4675","4679","10.1039/d0dt00498g","","","0.71073","MoKα","","0.115","0.067","","","0.1259","0.1421","","","","","","1.052","","","","has coordinates,has disorder","251652","2020-10-21","18:00:00",""
"7703716","7.20011","0.00012","7.20961","0.00014","27.7581","0.0007","91.5713","0.0019","93.4633","0.0018","108.362","0.0016","1363.42","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 N6 O6 Re S -","- C28 H27 N6 O6 Re S -","- C56 H54 N12 O12 Re2 S2 -","2","1","","Wiratpruk, Nuchareenat; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Charge neutral rhenium tricarbonyl complexes of tridentate N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4559","4569","10.1039/c9dt04687a","","","1.54184","CuKα","","0.046","0.0452","","","0.1233","0.1246","","","","","","1.04","","","","has coordinates","251645","2020-10-21","18:00:00",""
"7703717","15.6976","0.0011","11.3209","0.0005","19.2779","0.001","90","","109.671","0.007","90","","3226","0.3","136","5","136","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl2 N5 O6 Re -","- C30 H32 Cl2 N5 O6 Re -","- C120 H128 Cl8 N20 O24 Re4 -","4","1","","Wiratpruk, Nuchareenat; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Charge neutral rhenium tricarbonyl complexes of tridentate N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4559","4569","10.1039/c9dt04687a","","","1.54184","CuKα","","0.063","0.0506","","","0.1275","0.1394","","","","","","1.049","","","","has coordinates","251645","2020-10-21","18:00:00",""
"7703718","18.2568","0.0017","14.37","0.0013","26.52","0.002","90","","90","","90","","6957.5","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C88 H76 B Dy N10 -","- C78 H66 B Dy N8 -","- C312 H264 B4 Dy4 N32 -","4","0.5","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in luminescent carbazolyl Dy(iii) octahedral complexes with a quasi linear N<sup>-</sup>-Dy-N<sup>-</sup> angle.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4039","4043","10.1039/d0dt00072h","","","0.71073","MoKα","","0.0545","0.0439","","","0.0853","0.0904","","","","","","1.008","","","","has coordinates,has disorder","250294","2020-10-21","18:00:00",""
"7703719","43.568","0.006","43.568","0.006","25.538","0.004","90","","90","","120","","41981","10","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H84 B Dy N2 O6 -","- C64 H68 B Dy N2 O4 -","- C1152 H1224 B18 Dy18 N36 O72 -","18","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in luminescent carbazolyl Dy(iii) octahedral complexes with a quasi linear N<sup>-</sup>-Dy-N<sup>-</sup> angle.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4039","4043","10.1039/d0dt00072h","","","0.71073","MoKα","","0.1156","0.0495","","","0.0981","0.1155","","","","","","1.182","","","","has coordinates,has disorder","250294","2020-10-21","18:00:00",""
"7703720","19.6406","0.0006","19.6406","0.0006","28.4472","0.0011","90","","90","","120","","9503.4","0.6","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H103 Cl6 Gd Mn6 N6 Na2 O25 -","- C96 H93 Cl6 Gd Mn6 N6 Na2 O25 -","- C288 H279 Cl18 Gd3 Mn18 N18 Na6 O75 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0382","0.0329","","","0.0904","0.0924","","","","","","1.011","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703721","19.424","0.0008","19.424","0.0008","28.5924","0.001","90","","90","","120","","9342.4","0.6","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C99 H110 Cl6 Mn6 N6 Na2 O27 Tb -","- C99 H93 Cl6 Mn6 N6 Na2 O26.9998 Tb -","- C297 H279 Cl18 Mn18 N18 Na6 O80.9994 Tb3 -","3","0.166667","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0673","0.0465","","","0.1229","0.1269","","","","","","0.946","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703722","19.5854","0.001","19.5854","0.001","28.5183","0.0018","90","","90","","120","","9473.7","0.9","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H104 Cl6 Mn6 N6 Na2 O27 Tb -","- C96 H90 Cl6 Mn6 N6 Na2 O27 Tb -","- C288 H270 Cl18 Mn18 N18 Na6 O81 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0646","0.0625","","","0.1844","0.1883","","","","","","1.039","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703723","19.9312","0.0003","19.9312","0.0003","28.8052","0.0008","90","","90","","120","","9909.9","0.3","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H99 Br7 Mn6 N6 Na2 O23 Tb -","- C96 H93 Br7 Mn6 N6 Na2 O23 Tb -","- C288 H279 Br21 Mn18 N18 Na6 O69 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0428","0.0363","","","0.0869","0.0895","","","","","","1.008","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703724","19.4486","0.0006","19.4486","0.0006","28.7046","0.0009","90","","90","","120","","9402.8","0.5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C100.5 H110 Cl6 Gd Mn6 N6 Na2 O25.5 -","- C100.5 H108 Cl6 Gd Mn6 N6 Na2 O25.5 -","- C301.5 H324 Cl18 Gd3 Mn18 N18 Na6 O76.5 -","3","0.166667","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.1052","0.0692","","","0.2011","0.2255","","","","","","1.048","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703725","19.5945","0.0005","19.5945","0.0005","28.3967","0.0007","90","","90","","120","","9442.1","0.4","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C99 H115 Cl6 Mn6 N6 Na2 O29.5 Tb -","- C99 H90 Cl6 Mn6 N6 Na2 O29.4999 Tb -","- C297 H270 Cl18 Mn18 N18 Na6 O88.4997 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0548","0.0477","","","0.1355","0.1394","","","","","","1.112","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703726","36.329","0.003","5.491","0.0004","17.2779","0.0014","90","","116.024","0.002","90","","3097.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl7 N10 Sb -","- C24 H22 Cl7 N10 Sb -","- C96 H88 Cl28 N40 Sb4 -","4","0.5","","Shen, Jun-Ju; Kang, Xiao-Li; Ren, Qiao-Zhen; Li, Guo-Ping; Gao, Ya-Na; Hao, Peng-Fei; Fu, Yun-Long","Effect of positional isomers on the photochromic behaviors of bipyridyltriazolium chloroantimonate hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4470","4475","10.1039/d0dt00092b","","","0.71073","MoKα","","0.0326","0.032","","","0.0912","0.0917","","","","","","1.122","","","","has coordinates","251633","2020-10-21","18:00:00",""
"7703727","36.287","0.005","5.4885","0.0007","17.28","0.002","90","","115.978","0.003","90","","3093.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl7 N10 Sb -","- C24 H22 Cl7 N10 Sb -","- C96 H88 Cl28 N40 Sb4 -","4","0.5","","Shen, Jun-Ju; Kang, Xiao-Li; Ren, Qiao-Zhen; Li, Guo-Ping; Gao, Ya-Na; Hao, Peng-Fei; Fu, Yun-Long","Effect of positional isomers on the photochromic behaviors of bipyridyltriazolium chloroantimonate hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4470","4475","10.1039/d0dt00092b","","","0.71073","MoKα","","0.0256","0.0246","","","0.0614","0.0621","","","","","","1.075","","","","has coordinates","251633","2020-10-21","18:00:00",""
"7703728","19.7255","0.0004","19.7255","0.0004","31.1693","0.0006","90","","90","","120","","10503","0.4","101.5","0.6","101.5","0.6","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","Compound 1","","- C62 H114 Cl4 In10 N16 Se16 -","- Cl4 In10 Se16 -","- Cl16 In40 Se64 -","4","0.166667","","Wang, Yanqi; Hu, Qianqian; Jin, Jiance; Li, Jilong; Li, Jianrong; Huang, Xiaoying","[Bmmim]<sub>6</sub>[In<sub>10</sub>Se<sub>16</sub>Cl<sub>4</sub>]·(MIm)<sub>2</sub>: an organic-ligand free discrete T3 cluster for efficient hydrogen evolution under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5020","5023","10.1039/d0dt00013b","","","1.3405","GaKα","","0.0759","0.0731","","","0.151","0.1522","","","","","","1.02","","","","has coordinates","251618","2020-10-21","18:00:00",""
"7703729","34.9266","0.0013","34.9266","0.0013","25.815","0.002","90","","90","","90","","31491","3","172","2","172","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C432 H480 F0 Fe8 N72 O48 S0 -","- C432 H480 Fe8 N72 O48 -","- C864 H960 Fe16 N144 O96 -","2","0.125","","Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo","Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4220","4224","10.1039/d0dt00353k","","","0.71073","MoKα","","0.209","0.0847","","","0.2043","0.2615","","","","","","1.186","","","","has coordinates,has disorder","251636","2020-10-21","18:00:00",""
"7703730","35.1488","0.0012","35.1488","0.0012","25.6895","0.0018","90","","90","","90","","31738","3","173","2","173","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C448 H504 F12 Fe8 N72 O60 S4 -","- C448 H504 F12 Fe8 N72 O60 S4 -","- C896 H1008 F24 Fe16 N144 O120 S8 -","2","0.125","","Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo","Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4220","4224","10.1039/d0dt00353k","","","0.71073","MoKα","","0.2017","0.1143","","","0.2729","0.3492","","","","","","1.198","","","","has coordinates,has disorder","251636","2020-10-21","18:00:00",""
"7703731","11.2065","0.0008","14.1626","0.001","16.1136","0.0011","69.848","0.003","85.511","0.003","87.425","0.003","2393.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H36 Ag2 N6 O5 S4 -","- C57 H36 Ag2 N6 O5 S4 -","- C114 H72 Ag4 N12 O10 S8 -","2","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Herbert, David E.; Nemykin, Victor N.","Rigid, yet flexible: formation of unprecedented silver MB-DIPY dimers with orthogonal chromophore geometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5034","5038","10.1039/d0dt00927j","","","0.71073","MoKα","","0.1032","0.0554","","","0.1286","0.1482","","","","","","1.028","","","","has coordinates,has disorder","251626","2020-10-21","18:00:00",""
"7703732","15.3966","0.0008","17.1849","0.0009","20.4428","0.001","111.135","0.002","90.178","0.002","101.146","0.002","4934.2","0.4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H61 Dy5 N16 O24 -","- C73 H61 Dy5 N16 O24 -","- C146 H122 Dy10 N32 O48 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.1237","0.0668","","","0.1562","0.2054","","","","","","1.085","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703733","15.4027","0.0002","15.9505","0.0003","19.8366","0.0004","108.286","0.002","95.024","0.001","102.381","0.001","4456.31","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H61 Dy5 N12 O25 -","- C67 H61 Dy5 N12 O25 -","- C134 H122 Dy10 N24 O50 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","1.54178","CuKα","","0.0605","0.0481","","","0.1243","0.1448","","","","","","1.108","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703734","15.3903","0.0011","17.2122","0.0014","20.4239","0.0016","111.207","0.003","90.116","0.004","101.204","0.003","4932.3","0.7","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H65 Gd5 N16 O25 -","- C74 H65 Gd5 N16 O25 -","- C148 H130 Gd10 N32 O50 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.0988","0.0531","","","0.1289","0.1534","","","","","","0.999","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703735","15.6215","0.0003","16.9622","0.0003","20.0435","0.0004","74.828","0.002","73.689","0.002","62.78","0.002","4477.19","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H57 Dy5 N12 O23 -","- C66 H59 Dy5 N12 O23 -","- C132 H118 Dy10 N24 O46 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.0703","0.0468","","","0.1176","0.1319","","","","","","1.022","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703736","15.3856","0.0002","16.2878","0.0002","19.7277","0.0002","78.402","0.001","74.551","0.001","78.443","0.001","4611.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 Dy5 N12 O25 -","- C72 H67 Dy5 N12 O25 -","- C144 H134 Dy10 N24 O50 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","1.54178","CuKα","","0.0532","0.0432","","","0.1088","0.1335","","","","","","1.13","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703737","15.441","0.0009","17.2204","0.001","20.4129","0.0011","111.301","0.002","90.017","0.002","101.333","0.002","4943.1","0.5","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H65 N16 O25 Tb5 -","- C74 H65 N16 O25 Tb5 -","- C148 H130 N32 O50 Tb10 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.0788","0.0458","","","0.1098","0.1299","","","","","","1.036","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703738","13.8753","0.0004","14.9584","0.0004","18.8648","0.0006","77.359","0.001","76.291","0.001","86.483","0.001","3711.5","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H75 Cl4 Mn2 N17 O26 -","- C61 H75 Cl4 Mn2 N17 O26 -","- C122 H150 Cl8 Mn4 N34 O52 -","2","1","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.0689","0.0505","","","0.13","0.1375","","","","","","1.045","","","","has coordinates,has disorder","251635","2020-10-21","18:00:00",""
"7703739","13.8335","0.0004","14.9487","0.0004","18.7892","0.0005","77.147","0.001","76.102","0.001","86.413","0.001","3677.05","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H75 Cl4 Fe2 N17 O26 -","- C61 H75 Cl4 Fe2 N17 O26 -","- C122 H150 Cl8 Fe4 N34 O52 -","2","1","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.059","0.0535","","","0.1487","0.1521","","","","","","1.031","","","","has coordinates,has disorder","251635","2020-10-21","18:00:00",""
"7703740","13.8322","0.0004","14.9418","0.0004","18.7191","0.0005","77.145","0.001","76.418","0.001","86.214","0.001","3665.99","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H75 Cl4 Co2 N17 O26 -","- C61 H75 Cl4 Co2 N17 O26 -","- C122 H150 Cl8 Co4 N34 O52 -","2","1","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.0607","0.0457","","","0.1206","0.1273","","","","","","1.028","","","","has coordinates,has disorder","251635","2020-10-21","18:00:00",""
"7703741","13.8336","0.0004","14.9837","0.0004","18.6193","0.0005","76.937","0.001","76.347","0.001","86.028","0.001","3652.76","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H75 Cl4 N17 Ni2 O26 -","- C61 H75 Cl4 N17 Ni2 O26 -","- C122 H150 Cl8 N34 Ni4 O52 -","2","1","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.0641","0.0491","","","0.1278","0.137","","","","","","1.021","","","","has coordinates","251635","2020-10-21","18:00:00",""
"7703742","15.6742","0.0016","9.0717","0.0008","26.436","0.003","90","","94.398","0.009","90","","3747.9","0.7","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Ni O4 -","- C42 H48 N4 Ni O4 -","- C168 H192 N16 Ni4 O16 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.1307","0.081","","0.2019","0.1717","0.2019","","","","","","0.9532","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703743","12.8742","0.0001","9.3175","0.0001","25.5985","0.0002","90","","98.479","0.0007","90","","3037.11","0.05","150","","150","","","","","","","","from U of Wollongong","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 N2 Ni O8 S -","- C31 H36 N2 Ni O8 S -","- C124 H144 N8 Ni4 O32 S4 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.0313","0.0298","","0.0794","0.0783","0.0794","","","","","","0.9963","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703744","14.6486","0.0001","8.8879","0.0001","31.2974","0.0003","90","","91.8126","0.0008","90","","4072.74","0.07","150","","150","","","","","","","","from U of Wollongong","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl2 N4 Ni O4 -","- C44 H52 Cl2 N4 Ni O4 -","- C176 H208 Cl8 N16 Ni4 O16 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.0556","0.0522","","0.1397","0.136","0.1397","","","","","","0.9957","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703745","9.9443","0.0002","10.8213","0.0002","15.0907","0.0003","90.918","0.0016","95.2472","0.0016","94.9377","0.0015","1610.64","0.05","150","","150","","","","","","","","from U of Wollongong","6","P -1","-P 1","2","","","","- C33 H38 N2 Ni O7 S2 -","- C33 H38 N2 Ni O7 S2 -","- C66 H76 N4 Ni2 O14 S4 -","2","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.0388","0.0383","","0.097","0.0967","0.097","","","","","","1.0076","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703746","10.5477","0.0005","15.4745","0.0006","16.5986","0.0008","88.093","0.003","83.802","0.004","70.576","0.004","2540.1","0.2","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C56 H74 N6 Ni O6 -","- C56 H74 N6 Ni O6 -","- C112 H148 N12 Ni2 O12 -","2","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.091","0.0638","","0.1766","0.1534","0.1766","","","","","","0.9641","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703747","18.3041","0.0004","8.07129","0.00016","21.2716","0.0004","90","","100.144","0.002","90","","3093.49","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4-(hydroxybenzophenylidene))-2-hydroxy-1,3-propylenediaminenickel(II)","","- C33 H34 N4 Ni O7 -","- C33 H34 N4 Ni O7 -","- C132 H136 N16 Ni4 O28 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0617","0.0448","","","0.1041","0.1109","","","","","","1.026","","","","has coordinates,has disorder","251668","2020-10-21","18:00:00",""
"7703748","11.8348","0.00019","12.9908","0.0002","16.1427","0.0003","67.3813","0.0017","74.2421","0.0015","79.8434","0.0015","2197.61","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis-(4-((1-(2-ethyl)piperidine)oxy)benzophenylidene)-1,2-propylenediaminenickel(II)","","- C43 H50 N4 Ni O4 -","- C43 H50 N4 Ni O4 -","- C86 H100 N8 Ni2 O8 -","2","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0429","0.0354","","","0.0965","0.1","","","","","","1.071","","","","has coordinates,has disorder","251668","2020-10-21","18:00:00",""
"7703749","16.41","0.0002","9.8299","0.0002","21.9572","0.0005","90","","100.163","0.0018","90","","3486.31","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4-(hydroxybenzophenylidene))ethylenediaminenickel(II)","","- C32 H22 D12 N2 Ni O6 S2 -","- C32 H22 D12 N2 Ni O6 S2 -","- C128 H88 D48 N8 Ni4 O24 S8 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0389","0.0329","","","0.0862","0.0895","","","","","","1.024","","","","has coordinates,has disorder","251668","2020-10-21","18:00:00",""
"7703750","12.9739","0.0003","18.8657","0.0003","13.1912","0.0002","90","","97.9782","0.0017","90","","3197.45","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4,4'(dihydroxybenzophenylidene))ethylenediaminenickel(II)","","- C32 H38 N2 Ni O10 -","- C32 H38 N2 Ni O10 -","- C128 H152 N8 Ni4 O40 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0508","0.0421","","","0.1158","0.1212","","","","","","1.031","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703751","9.5758","0.0004","33.1938","0.0014","8.9652","0.0003","90","","115.621","0.001","90","","2569.46","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Fe N3 P -","- C29 H34 Fe N3 P -","- C116 H136 Fe4 N12 P4 -","4","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0353","0.028","","","0.0666","0.0695","","","","","","1.034","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703752","10.5019","0.0006","10.3649","0.0006","17.149","0.0009","90","","103.169","0.002","90","","1817.6","0.18","120","2","120","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H42 Cl F6 Fe N3 P Pd Sb -","- C35 H42 Cl F6 Fe N3 P Pd Sb -","- C70 H84 Cl2 F12 Fe2 N6 P2 Pd2 Sb2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0126","0.0124","","","0.0312","0.0317","","","","","","1.066","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703753","11.7326","0.0006","11.979","0.0006","12.1754","0.0006","84.599","0.001","75.101","0.001","81.174","0.002","1631.4","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H42 Cl2 Fe N3 P Pd -","- C35 H42 Cl2 Fe N3 P Pd -","- C70 H84 Cl4 Fe2 N6 P2 Pd2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0213","0.0195","","","0.0467","0.0477","","","","","","1.054","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703754","10.8536","0.0005","11.6697","0.0005","17.6614","0.0008","97.12","0.001","106.206","0.001","108.55","0.001","1980.09","0.16","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C39.25 H38.5 Cl1.5 F6 Fe N3 P Pd Sb -","- C39.25 H38.5 Cl1.5 F6 Fe N3 P Pd Sb -","- C78.5 H77 Cl3 F12 Fe2 N6 P2 Pd2 Sb2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0249","0.0237","","","0.0599","0.0607","","","","","","1.055","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703755","13.2176","0.0005","13.0451","0.0004","16.9643","0.0007","90","","98.462","0.002","90","","2893.22","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl2 Fe N3 P Pd -","- C29 H34 Cl2 Fe N3 P Pd -","- C116 H136 Cl8 Fe4 N12 P4 Pd4 -","4","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0322","0.0236","","","0.0524","0.0555","","","","","","1.037","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703756","16.6294","0.0003","10.307","0.0002","20.8488","0.0004","90","","105.72","0.001","90","","3439.81","0.11","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl F6 Fe N3 P Pd Sb -","- C29 H34 Cl F6 Fe N3 P Pd Sb -","- C116 H136 Cl4 F24 Fe4 N12 P4 Pd4 Sb4 -","4","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0244","0.0222","","","0.0539","0.0549","","","","","","1.077","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703757","10.1594","0.0005","12.8169","0.0006","14.6022","0.0011","115.562","0.002","96.014","0.002","106.604","0.002","1585.52","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Fe N3 P -","- C39 H38 Fe N3 P -","- C78 H76 Fe2 N6 P2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0351","0.0299","","","0.0717","0.0743","","","","","","1.034","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703758","13.8254","0.0005","13.2164","0.0004","15.3735","0.0005","90","","98.088","0.003","90","","2781.14","0.16","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30.05 H29.1 B Cl0.1 F4 N2 O4 -","- C30.05 H29.1 B Cl0.1 F4 N2 O4 -","- C120.2 H116.4 B4 Cl0.4 F16 N8 O16 -","4","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.085","0.0513","","","0.1024","0.1179","","","","","","1.026","","","","has coordinates,has disorder","260794","2021-01-07","06:33:15",""
"7703759","10.823","0.003","21.139","0.005","12.359","0.003","90","","110.983","0.012","90","","2640.1","1.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mly135","","- C32 H31 B F4 N2 O2 -","- C31 H30 B F4 N3 O2 -","- C124 H120 B4 F16 N12 O8 -","4","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","","0.71073","MoKα","","0.0778","0.0546","","","0.1458","0.16","","","","","","1.061","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703760","7.9579","0.0003","12.8642","0.0004","16.4462","0.0005","67.782","0.003","76.185","0.003","78.925","0.003","1503.8","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl3 Co N3 O4 -","- C31 H30 Cl3 Co N3 O4 -","- C62 H60 Cl6 Co2 N6 O8 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0664","0.0431","","","0.0894","0.1025","","","","","","1.051","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703761","7.5471","0.0002","13.4245","0.0004","16.5205","0.0005","110.441","0.003","98.644","0.003","101.914","0.002","1488.78","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Cl3 N2 Ni O4.5 -","- C31 H31 Cl3 N2 Ni O4.5 -","- C62 H62 Cl6 N4 Ni2 O9 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0623","0.0455","","","0.0961","0.1071","","","","","","1.076","","","","has coordinates,has disorder","260794","2021-01-07","06:33:15",""
"7703762","25.405","0.006","10.88","0.002","25.515","0.008","90","","117.562","0.009","90","","6252","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 Cl3 Co N4 O2 -","- C33 H33 Cl3 Co N4 O2 -","- C264 H264 Cl24 Co8 N32 O16 -","8","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","","0.71073","MoKα","","0.0683","0.0418","","","0.0916","0.1025","","","","","","1.028","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703763","8.7176","0.0003","12.5351","0.0004","13.2082","0.0005","84.043","0.003","74.577","0.003","85.088","0.003","1381.31","0.09","100","0.16","100","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl3 Co N2 O4 -","- C30 H29 Cl3 Co N2 O4 -","- C60 H58 Cl6 Co2 N4 O8 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0673","0.043","","","0.0869","0.099","","","","","","1.068","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703764","8.6529","0.0003","12.5362","0.0004","13.2372","0.0005","83.92","0.003","74.506","0.003","84.865","0.003","1373.12","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl3 N2 Ni O4 -","- C30 H29 Cl3 N2 Ni O4 -","- C60 H58 Cl6 N4 Ni2 O8 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0568","0.0414","","","0.0956","0.1067","","","","","","1.059","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703765","17.6162","0.0005","9.1037","0.0002","10.3973","0.0003","90","","105.338","0.003","90","","1608.05","0.08","130","2","130","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H34 N2 O6 Zn -","- C38 H34 N2 O6 Zn -","- C76 H68 N4 O12 Zn2 -","2","1","","Aleksovska, Angela; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4817","4823","10.1039/d0dt00333f","","","0.71073","MoKα","","0.0577","0.0457","","","0.1043","0.1116","","","","","","1.059","","","","has coordinates","251650","2020-10-21","18:00:00",""
"7703766","8.0584","0.0002","9.4051","0.0002","41.9284","0.0008","90","","91.246","0.002","90","","3177","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cd N2 O6 -","- C38 H34 Cd N2 O6 -","- C152 H136 Cd4 N8 O24 -","4","1","","Aleksovska, Angela; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4817","4823","10.1039/d0dt00333f","","","0.71073","MoKα","","0.0489","0.0387","","","0.086","0.0943","","","","","","0.983","","","","has coordinates,has disorder","251650","2020-10-21","18:00:00",""
"7703767","7.8864","0.0004","9.2043","0.0004","11.9198","0.0006","76.155","0.004","81.642","0.004","75.045","0.004","808.42","0.07","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","1","0.5","","Aleksovska, Angela; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4817","4823","10.1039/d0dt00333f","","","0.71073","MoKα","","0.0702","0.0501","","","0.1172","0.1291","","","","","","1.015","","","","has coordinates,has disorder","251650","2020-10-21","18:00:00",""
"7703768","9.5838","0.0006","13.0175","0.0009","13.8929","0.0009","96.049","0.001","91.88","0.001","107.217","0.001","1642.61","0.19","173","2","173.01","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Br4 N4 Ni2 O2 -","- C78 H64 Br4 N4 Ni2 O2 -","- C78 H64 Br4 N4 Ni2 O2 -","1","0.5","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","0.71073","MoKα","","0.0358","0.0284","","","0.0711","0.0756","","","","","","1.02","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703769","10.9201","0.0002","22.8955","0.0005","14.1583","0.0003","90","","109.86","0.001","90","","3329.34","0.12","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 Br4 N4 Ni2 O2 -","- C84 H60 Br4 N4 Ni2 O2 -","- C168 H120 Br8 N8 Ni4 O4 -","2","0.5","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","1.54184","CuKα","","0.0596","0.0485","","","0.1231","0.1371","","","","","","1.075","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703770","11.6818","0.0017","16.776","0.002","22.885","0.003","90","","104.612","0.003","90","","4339.8","1","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H56 Br4 N4 Ni2 O2 -","- C82 H56 Br4 N4 Ni2 O2 -","- C164 H112 Br8 N8 Ni4 O4 -","2","0.5","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","0.71073","MoKα","","0.1013","0.0806","","","0.2202","0.2325","","","","","","1.014","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703771","10.7994","0.0007","20.1287","0.0014","16.4169","0.0011","90","","105.258","0.001","90","","3442.9","0.4","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Br2 N2 Ni O -","- C40 H34 Br2 N2 Ni O -","- C160 H136 Br8 N8 Ni4 O4 -","4","1","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","0.71073","MoKα","","0.0504","0.033","","","0.0703","0.0775","","","","","","1.048","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703772","16.4698","0.0008","8.1305","0.0004","17.6932","0.0009","90","","100.979","0.002","90","","2325.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl2 Co N3 O -","- C23 H29 Cl2 Co N3 O -","- C92 H116 Cl8 Co4 N12 O4 -","4","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.042","0.0335","","","0.0782","0.083","","","","","","1.058","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703773","8.4712","0.0001","9.4205","0.0002","15.808","0.0002","101.448","0.001","91.172","0.001","102.322","0.001","1205.34","0.03","119.97","0.1","119.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Co N5 S2 -","- C24 H25 Co N5 S2 -","- C48 H50 Co2 N10 S4 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","x-ray","0.71073","MoKα","","0.0381","0.0329","","","0.0826","0.0857","","","","","","1.072","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703774","8.3183","0.0014","10.3241","0.0018","13.067","0.002","98.325","0.005","92.15","0.005","110.353","0.005","1036.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl2 N3 Zn -","- C22 H25 Cl2 N3 Zn -","- C44 H50 Cl4 N6 Zn2 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.0789","0.0664","","","0.1808","0.1948","","","","","","1.041","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703775","8.4626","0.0005","10.2744","0.0006","13.2348","0.0007","98.374","0.002","90.925","0.002","109.403","0.002","1071.24","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Br2 N3 Zn -","- C22 H25 Br2 N3 Zn -","- C44 H50 Br4 N6 Zn2 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.0552","0.0389","","","0.0835","0.0993","","","","","","1.047","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703776","8.4526","0.0006","10.2684","0.0008","13.3275","0.0011","99.01","0.002","90.814","0.002","110.221","0.002","1069.15","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Br2 Co N3 -","- C22 H25 Br2 Co N3 -","- C44 H50 Br4 Co2 N6 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.0441","0.0291","","","0.0806","0.1039","","","","","","1.189","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703777","13.817","0.0002","4.7263","0.0001","18.1904","0.0003","90","","102.366","0.002","90","","1160.33","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 B O2 -","- C16 H11 B O2 -","- C64 H44 B4 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0418","0.0394","","","0.1113","0.1135","","","","","","1.098","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703778","12.3335","0.0002","5.125","0.0001","12.2086","0.0003","90","","100.641","0.002","90","","758.43","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 B2 O4 -","- C20 H12 B2 O4 -","- C40 H24 B4 O8 -","2","0.5","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0454","0.0394","","","0.0951","0.0981","","","","","","1.177","","","","has coordinates,has disorder","251653","2020-10-21","18:00:00",""
"7703779","22.9961","0.0002","8.7684","0.0001","14.2648","0.0002","90","","102.73","0.001","90","","2805.64","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 B O3 -","- C11 H9 B O3 -","- C132 H108 B12 O36 -","12","3","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0393","0.0343","","","0.0907","0.094","","","","","","1.059","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703780","14.6895","0.0001","4.7207","0.0001","18.1961","0.0002","90","","102.421","0.001","90","","1232.27","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F3 O2 -","- C16 H8 B F3 O2 -","- C64 H32 B4 F12 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0365","0.0348","","","0.1012","0.1033","","","","","","1.067","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703781","9.30604","0.00007","9.01092","0.00006","15.64505","0.00012","90","","103.849","0.0007","90","","1273.79","0.017","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 B F5 O2 -","- C16 H6 B F5 O2 -","- C64 H24 B4 F20 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0341","0.0329","","","0.0941","0.0955","","","","","","1.055","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703782","16.7035","0.0001","16.7035","0.0001","23.095","0.0002","90","","90","","120","","5580.38","0.07","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C76 H84 B6 N8 O12 -","- C76 H83.9994 B6 N8 O12 -","- C228 H251.998 B18 N24 O36 -","3","0.166667","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0395","0.0384","","","0.1041","0.1051","","","","","","1.045","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703783","9","0.002","9.222","0.002","15.177","0.003","90","","102.643","0.003","90","","1229.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F3 O2 -","- C16 H8 B F3 O2 -","- C64 H32 B4 F12 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","","0.71073","MoKα","","0.0685","0.0419","","","0.096","0.1066","","","","","","1.052","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703784","11.8872","0.0001","19.0982","0.0001","11.3226","0.0001","90","","102.329","0.001","90","","2511.22","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 B Cl O4 P2 -","- C22 H36 B Cl O4 P2 -","- C88 H144 B4 Cl4 O16 P8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0404","0.0373","","","0.0963","0.0985","","","","","","1.039","","","","has coordinates,has disorder","251653","2020-10-21","18:00:00",""
"7703785","7.7613","0.0005","23.5453","0.0015","8.1854","0.0005","90","","98.411","0.001","90","","1479.73","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B O4 -","- C18 H15 B O4 -","- C72 H60 B4 O16 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","","0.71073","MoKα","","0.0388","0.0352","","","0.0931","0.0962","","","","","","1.054","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703786","12.73","0.0002","13.2386","0.0002","15.2532","0.0002","84.424","0.001","74.941","0.001","88.598","0.001","2470.56","0.06","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H88 B5 Cl4 N8 O11 -","- C114 H88 B5 Cl4 N8 O11 -","- C114 H88 B5 Cl4 N8 O11 -","1","0.5","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.051","0.0396","","","0.1036","0.1097","","","","","","1.045","","","","has coordinates,has disorder","251653","2020-10-21","18:00:00",""
"7703787","7.4723","0.0002","8.4806","0.0001","13.3696","0.0003","87.668","0.002","82.555","0.002","67.591","0.002","776.61","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 B2 O5 -","- C20 H12 B2 O5 -","- C40 H24 B4 O10 -","2","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0362","0.0333","","","0.0923","0.095","","","","","","1.09","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703788","8.5798","0.0001","11.1059","0.0001","12.9485","0.0001","90","","99.977","0.001","90","","1215.16","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 B F2 O2 -","- C16 H9 B F2 O2 -","- C64 H36 B4 F8 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0324","0.0311","","","0.0842","0.0853","","","","","","1.06","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703789","6.069","0.0003","8.383","0.0006","12.2268","0.0006","83.361","0.002","78.909","0.002","75.168","0.002","588.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 N14 O10 S2 -","- C10 H24 N14 O10 S2 -","- C10 H24 N14 O10 S2 -","1","0.5","","Zhang, Shiyu; Cheng, Guangbin; Yang, Hongwei","Studies on the synthesis and properties of nitramino compounds based on tetrazine backbones.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5590","5596","10.1039/c9dt04426d","","","0.71073","MoKα","","0.0572","0.0451","","","0.1084","0.116","","","","","","1.063","","","","has coordinates","252758","2020-10-21","18:00:00",""
"7703790","7.5426","0.0008","7.2253","0.0008","21.79","0.002","90","","92.711","0.003","90","","1186.2","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N14 O10 -","- C12 H30 N14 O10 -","- C24 H60 N28 O20 -","2","0.5","","Zhang, Shiyu; Cheng, Guangbin; Yang, Hongwei","Studies on the synthesis and properties of nitramino compounds based on tetrazine backbones.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5590","5596","10.1039/c9dt04426d","","","0.71073","MoKα","","0.1053","0.0608","","","0.1585","0.1992","","","","","","1.071","","","","has coordinates","252758","2020-10-21","18:00:00",""
"7703791","14.5553","0.0005","28.1801","0.0008","19.0752","0.0006","90","","102.067","0.003","90","","7651.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H79 Cl2 Co N3 -","- C86 H79 Cl2 Co N3 -","- C344 H316 Cl8 Co4 N12 -","4","1","","Han, Mingyang; Zhang, Qiuyue; Oleynik, Ivan I.; Suo, Hongyi; Solan, Gregory A.; Oleynik, Irina V.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylenes of narrow dispersity promoted using bis(arylimino)cyclohepta[b]pyridine-cobalt catalysts ortho-substituted with benzhydryl & cycloalkyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4774","4784","10.1039/d0dt00576b","","","0.71073","MoKα","","0.1981","0.1307","","","0.3244","0.3715","","","","","","1.065","","","","has coordinates,has disorder","251666","2020-10-21","18:00:00",""
"7703792","13.8218","0.0007","26.1887","0.0009","19.0442","0.0008","90","","110.514","0.005","90","","6456.4","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H77 Cl4 Co N3 -","- C71 H77 Cl4 Co N3 -","- C284 H308 Cl16 Co4 N12 -","4","1","","Han, Mingyang; Zhang, Qiuyue; Oleynik, Ivan I.; Suo, Hongyi; Solan, Gregory A.; Oleynik, Irina V.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylenes of narrow dispersity promoted using bis(arylimino)cyclohepta[b]pyridine-cobalt catalysts ortho-substituted with benzhydryl & cycloalkyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4774","4784","10.1039/d0dt00576b","","","0.71073","MoKα","","0.1149","0.0728","","","0.187","0.2198","","","","","","1.024","","","","has coordinates,has disorder","251666","2020-10-21","18:00:00",""
"7703793","32.8106","0.0006","32.8106","0.0006","31.0827","0.0009","90","","90","","90","","33461.6","1.3","173","","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C92 H91 Cl2 Co N3 -","- C92 H91 Cl2 Co N3 -","- C1472 H1456 Cl32 Co16 N48 -","16","1","","Han, Mingyang; Zhang, Qiuyue; Oleynik, Ivan I.; Suo, Hongyi; Solan, Gregory A.; Oleynik, Irina V.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylenes of narrow dispersity promoted using bis(arylimino)cyclohepta[b]pyridine-cobalt catalysts ortho-substituted with benzhydryl & cycloalkyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4774","4784","10.1039/d0dt00576b","","","0.71073","MoKα","","0.203","0.1079","","","0.2453","0.3005","","","","","","1.029","","","","has coordinates,has disorder","251666","2020-10-21","18:00:00",""
"7703794","10.108","0.002","11.895","0.002","11.922","0.002","90","","109.549","0.005","90","","1350.8","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br3 N2 Sb -","- C10 H8 Br3 N2 Sb -","- C40 H32 Br12 N8 Sb4 -","4","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0491","0.0314","","","0.0552","0.0603","","","","","","1.017","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703795","8.883","0.0007","9.5706","0.0008","10.6472","0.0009","67.951","0.003","85.798","0.003","78.961","0.003","823.45","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 I3 N2 Sb -","- C12 H10 I3 N2 Sb -","- C24 H20 I6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0606","0.0348","","","0.0662","0.0742","","","","","","1.026","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703796","8.9201","0.0019","9.0385","0.0018","9.896","0.002","73.326","0.007","72.259","0.007","76.842","0.007","719.3","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","Antimony chloride 1,2-Bis(4-pyridyl)ethane coordination polymer","","","- C12 H12 Cl3 N2 Sb -","- C12 H12 Cl3 N2 Sb -","- C24 H24 Cl6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0842","0.0526","","","0.1138","0.1275","","","","","","1.01","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703797","8.8098","0.0007","9.2439","0.0008","9.9241","0.0008","74.791","0.003","65.696","0.003","74.641","0.003","699.36","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Bi Cl3 N2 -","- C12 H10 Bi Cl3 N2 -","- C24 H20 Bi2 Cl6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0286","0.0239","","","0.0524","0.0542","","","","","","1.068","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703798","8.854","0.0018","9.0738","0.0018","9.4445","0.0019","77.42","0.03","69.22","0.03","75.99","0.03","681","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl3 N2 Sb -","- C12 H10 Cl3 N2 Sb -","- C24 H20 Cl6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0412","0.0303","","","0.0602","0.0633","","","","","","1.029","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703799","8.9483","0.0004","9.4511","0.0004","10.5223","0.0006","69.645","0.003","70.592","0.003","78.476","0.002","783.33","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Bi Br3 N2 -","- C12 H12 Bi Br3 N2 -","- C24 H24 Bi2 Br6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0478","0.0361","","","0.081","0.0872","","","","","","1.036","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703800","7.6243","0.0005","9.9837","0.0007","10.7548","0.0007","117.035","0.003","90.144","0.003","95.474","0.003","724.89","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 I3 N2 Sb -","- C10 H8 I3 N2 Sb -","- C20 H16 I6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.02","0.0182","","","0.0431","0.0438","","","","","","1.089","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703801","8.9715","0.0011","9.0939","0.0013","10.1897","0.0015","70.894","0.004","73.05","0.003","77.176","0.003","744.02","0.18","300","2","300","","","","","","","","","5","P -1","-P 1","2","Antimony 1,2-di(pyridin-4-yl)ethane trichloride","","","- C12 H12 Cl3 N2 Sb -","- C12 H12 Cl3 N2 Sb -","- C24 H24 Cl6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0583","0.0411","","","0.0915","0.097","","","","","","1.034","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703802","8.9814","0.0005","9.6454","0.0005","10.7022","0.0006","67.547","0.002","84.936","0.002","78.17","0.002","838.59","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Bi I3 N2 -","- C12 H10 Bi I3 N2 -","- C24 H20 Bi2 I6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0329","0.026","","","0.0469","0.0496","","","","","","1.057","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703803","9.2174","0.0007","9.864","0.0008","11.0619","0.0008","66.722","0.002","73.097","0.002","84.01","0.002","883.91","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Bi I3 N2 -","- C12 H12 Bi I3 N2 -","- C24 H24 Bi2 I6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0295","0.0256","","","0.0567","0.0586","","","","","","1.032","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703804","9.621","0.0019","11.545","0.002","11.876","0.002","90","","109.13","0.03","90","","1246.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl3 N2 Sb -","- C10 H8 Cl3 N2 Sb -","- C40 H32 Cl12 N8 Sb4 -","4","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0456","0.034","","","0.0809","0.0867","","","","","","1.063","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703805","8.8401","0.0007","9.1362","0.0007","10.5082","0.0009","68.695","0.004","71.645","0.004","75.065","0.003","740.54","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Bi Cl3 N2 -","- C12 H12 Bi Cl3 N2 -","- C24 H24 Bi2 Cl6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0381","0.0307","","","0.0694","0.0749","","","","","","1.089","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703806","8.912","0.0007","9.4583","0.0008","10.5549","0.0009","68.216","0.002","71.675","0.002","80.174","0.002","782.8","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br3 N2 Sb -","- C12 H12 Br3 N2 Sb -","- C24 H24 Br6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0583","0.0401","","","0.084","0.0902","","","","","","1.038","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703807","9.0434","0.0009","9.1919","0.0009","10.1119","0.001","77.649","0.003","65.792","0.003","75.676","0.003","736.77","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Bi Br3 N2 -","- C12 H10 Bi Br3 N2 -","- C24 H20 Bi2 Br6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0335","0.0273","","","0.0552","0.0574","","","","","","1.044","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703808","9.0736","0.0016","9.0994","0.0016","9.8812","0.0017","67.632","0.003","80.45","0.004","76.867","0.004","731.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br3 N2 Sb -","- C12 H10 Br3 N2 Sb -","- C24 H20 Br6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0184","0.0173","","","0.0443","0.0448","","","","","","1.066","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703809","9.1035","0.001","9.8191","0.0011","10.9715","0.0013","66.414","0.003","73.361","0.003","84.398","0.003","861","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 I3 N2 Sb -","- C12 H12 I3 N2 Sb -","- C24 H24 I6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0318","0.024","","","0.0477","0.0508","","","","","","1.035","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703810","18.634","0.005","7.2576","0.0014","19.698","0.005","90","","117.131","0.01","90","","2370.8","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 Ir N3 O -","- C24 H30 Cl2 Ir N3 O -","- C96 H120 Cl8 Ir4 N12 O4 -","4","1","","Mansour, Ahmed M.; Radacki, Krzysztof","Antimicrobial properties of half-sandwich Ir(iii) cyclopentadienyl complexes with pyridylbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4491","4501","10.1039/d0dt00451k","","","0.71073","MoKα","","0.019","0.0177","","","0.0412","0.0418","","","","","","1.072","","","","has coordinates","251646","2020-10-21","18:00:00",""
"7703811","16.1669","0.0009","15.0455","0.0008","26.4547","0.0015","90","","99.286","0.0007","90","","6350.5","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H100 N4 Ni2 P2 -","- C60 H88 N4 Ni2 P2 -","- C240 H352 N16 Ni8 P8 -","4","0.5","","Macaulay, Casper M.; Samolia, Madhu; Ferguson, Michael J.; Sydora, Orson L.; Ess, Daniel H.; Stradiotto, Mark; Turculet, Laura","Synthetic investigations of low-coordinate (N-phosphino-amidinate) nickel chemistry: agostic alkyl complexes and benzene insertion into Ni-H.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4811","4816","10.1039/d0dt00527d","","","0.71073","MoKα","","0.0386","0.0314","","","0.0839","0.0894","","","","","","1.031","","","","has coordinates","251661","2020-10-21","18:00:00",""
"7703812","17.7217","0.0003","10.9584","0.0002","16.7015","0.0003","90","","103.483","0.0009","90","","3154.06","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 N2 Ni P -","- C32 H51 N2 Ni P -","- C128 H204 N8 Ni4 P4 -","4","1","","Macaulay, Casper M.; Samolia, Madhu; Ferguson, Michael J.; Sydora, Orson L.; Ess, Daniel H.; Stradiotto, Mark; Turculet, Laura","Synthetic investigations of low-coordinate (N-phosphino-amidinate) nickel chemistry: agostic alkyl complexes and benzene insertion into Ni-H.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4811","4816","10.1039/d0dt00527d","","","1.54178","CuKα","","0.0407","0.0347","","","0.0889","0.0937","","","","","","1.035","","","","has coordinates,has disorder","251661","2020-10-21","18:00:00",""
"7703813","22.242","0.005","15.656","0.004","38.588","0.008","90","","90","","90","","13437","5","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C96 H175.6 Ca4 Mn6 N O48.3 -","- C96 H175.6 Ca4 Mn6 N O48.3 -","- C384 H702.4 Ca16 Mn24 N4 O193.2 -","4","0.5","","Mousazade, Younes; Mohammadi, Mohammad Reza; Bagheri, Robabeh; Bikas, Rahman; Chernev, Petko; Song, Zhenlun; Lis, Tadeusz; Siczek, Milosz; Noshiranzadeh, Nader; Mebs, Stefan; Dau, Holger; Zaharieva, Ivelina; Najafpour, Mohammad Mahdi","A synthetic manganese-calcium cluster similar to the catalyst of Photosystem II: challenges for biomimetic water oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5597","5605","10.1039/d0dt00536c","","","0.71073","MoKα","","0.1216","0.0718","","","0.1477","0.1705","","","","","","1.07","","","","has coordinates,has disorder","252757","2020-10-21","18:00:00",""
"7703814","10.2242","0.0003","7.44722","0.00017","10.3407","0.0003","90","","115.904","0.004","90","","708.25","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ba Cl Li O5 Te2 -","- Ba Cl Li O5 Te2 -","- Ba4 Cl4 Li4 O20 Te8 -","4","1","","Wang, Ting; Chen, Yi-Gang; Guo, Yao; Wang, Fang; Song, Qi; Jia, Ying-Jie; Zhang, Xian-Ming","BaLiTe<sub>2</sub>O<sub>5</sub>X (X = Cl, Br): mixed alkali/alkaline-earth metal tellurite halides with [Te<sub>2</sub>O<sub>5</sub>]<sub>∞</sub> chains.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4914","4919","10.1039/d0dt00141d","","x-ray","0.71","MoKα","","0.0207","0.0171","","","0.0327","0.0336","","","","","","1.12","","","","has coordinates","251667","2020-10-21","18:00:00",""
"7703815","6.91929","0.00013","12.7504","0.0003","9.7223","0.0002","90","","127.503","0.0017","90","","680.47","0.03","298","","298","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 Ga2 O8.72 -","- C12 Ga2 O8.723 -","- C24 Ga4 O17.446 -","2","0.5","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0264","2.26557","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703816","17.0649","0.0015","6.7215","0.0003","10.0314","0.0003","90","","116.222","0.005","90","","1032.21","0.12","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 Ga O5 -","- C12 Ga O5 -","- C48 Ga4 O20 -","4","1","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0188","2.54892","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703817","21.3392","0.0003","21.3392","0.0003","6.71422","0.00015","90","","90","","90","","3057.4","0.09","298","","298","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- C48 Ga4 O28 -","- C48 Ga4 O28 -","- C96 Ga8 O56 -","2","0.125","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0572","2.74312","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703818","7.5927","0.0018","12.86","0.002","9.7151","0.0014","90","","135.335","0.008","90","","666.8","0.2","298","","298","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 Al2 O8.85 -","- C12 Al2 O8.854 -","- C24 Al4 O17.708 -","2","0.5","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0113","2.31117","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703819","16.9726","0.0016","6.6331","0.0006","10.0413","0.0005","90","","116.505","0.009","90","","1011.64","0.16","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 Al O5 -","- C12 Al O5 -","- C48 Al4 O20 -","4","1","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0236","2.69344","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703820","24.5518","0.0013","7.1261","0.0005","6.6983","0.0004","90","","104.225","0.006","90","","1135.99","0.12","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 Ga2 O10.12 -","- C24 Ga2 O10.124 -","- C48 Ga4 O20.248 -","2","0.25","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0181","3.83682","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703821","11.05922","0.00016","11.05922","0.00016","30.7432","0.0007","90","","90","","90","","3760.09","0.12","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","trans-[FeCl2{(R,R)-Me-DuPhos}2]","","","- C36 H56 Cl2 Fe P4 -","- C36 H56 Cl2 Fe P4 -","- C144 H224 Cl8 Fe4 P16 -","4","0.5","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","","0.71073","MoKα","","0.0323","0.0266","","","0.0576","0.0604","","","","","","1.083","","","","has coordinates","251638","2020-10-21","18:00:00",""
"7703822","14.8107","0.0003","16.8676","0.0004","15.5365","0.0003","90","","90","","90","","3881.34","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[FeCl{(R,R)-Me-DuPhos}2](BF4)","","","- C36 H56 B Cl F4 Fe P4 -","- C36 H56 B Cl F4 Fe P4 -","- C144 H224 B4 Cl4 F16 Fe4 P16 -","4","1","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0464","0.0425","","","0.1096","0.1142","","","","","","1.057","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703823","11.3411","0.0003","20.8867","0.0004","17.3185","0.0003","90","","103.587","0.002","90","","3987.57","0.15","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","cappa-[FeI{(R,R)-Me-DuPhos}2]I2Â.H2O","","","- C36 H58 Fe I2 O P4 -","- C36 H58 Fe I2 O P4 -","- C144 H232 Fe4 I8 O4 P16 -","4","2","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0235","0.0217","","","0.0531","0.0542","","","","","","1.025","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703824","11.23747","0.00014","20.9195","0.0003","33.7258","0.0004","90","","90","","90","","7928.34","0.18","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","delta-[FeI{(S,S)-Me-DuPhos}2](ClO4)","","","- C36 H56 Cl Fe I O4 P4 -","- C36 H56 Cl Fe I O4 P4 -","- C288 H448 Cl8 Fe8 I8 O32 P32 -","8","2","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0509","0.0397","","","0.1011","0.1098","","","","","","1.06","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703825","17.0183","0.0005","17.0183","0.0005","17.0183","0.0005","90","","90","","90","","4928.9","0.3","100","0.2","100","0.2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C7 H4 N6 Zn -","- C7 H2 N6 Zn -","- C84 H24 N72 Zn12 -","12","0.25","","Li, Hai-Zhen; Du, Dong-Ying; Sun, Yayong; Wang, Fei; Zhang, Jian","Adjustment of the performance and stability of isostructural zeolitic tetrazolate-imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4690","4693","10.1039/d0dt00791a","","x-ray","1.54184","CuKα","","0.0258","0.0256","","","0.0772","0.0777","","","","","","1.107","","","","has coordinates","251665","2020-10-21","18:00:00",""
"7703826","17.0156","0.0007","17.0156","0.0007","17.0156","0.0007","90","","90","","90","","4926.5","0.4","99.98","0.15","99.98","0.15","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C7 H4 N6 Zn -","- C6.5 H4 N6 Zn -","- C78 H48 N72 Zn12 -","12","0.25","","Li, Hai-Zhen; Du, Dong-Ying; Sun, Yayong; Wang, Fei; Zhang, Jian","Adjustment of the performance and stability of isostructural zeolitic tetrazolate-imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4690","4693","10.1039/d0dt00791a","","x-ray","1.54184","CuKα","","0.0563","0.0544","","","0.1653","0.1661","","","","","","1.135","","","","has coordinates","251665","2020-10-21","18:00:00",""
"7703827","8.747","0.003","8.747","0.003","19.074","0.003","90","","90","","120","","1263.8","0.6","298","2","298","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co0.58 Fe0.42 K N10 -","- C12 H9.9996 Co0.5761 Fe0.4238 K N9.9996 -","- C36 H29.9988 Co1.7283 Fe1.2714 K3 N29.9988 -","3","0.0833333","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0378","0.0366","","","0.0959","0.0977","","","","","","1.101","","","","has coordinates,has disorder","252764","2020-10-21","18:00:00",""
"7703828","8.763","0.002","8.763","0.002","18.8","0.004","90","","90","","120","","1250.2","0.5","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H10 Co0.58 Fe0.42 K N10 -","- C12 H9.9996 Co0.5761 Fe0.4239 K N9.9996 -","- C36 H29.9988 Co1.7283 Fe1.2717 K3 N29.9988 -","3","0.166667","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0523","0.0521","","","0.1353","0.1354","","","","","","1.312","","","","has coordinates,has disorder","252764","2020-10-21","18:00:00",""
"7703829","15.089","0.002","8.773","0.003","13.454","0.002","90","","111.74","0.03","90","","1654.3","0.7","100","2","100","2","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","","- C12 H10 Co0.57 Fe0.43 K N10 -","- C12 H10 Co0.5761 Fe0.4239 K N10 -","- C48 H40 Co2.3044 Fe1.6956 K4 N40 -","4","0.5","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0556","0.0513","","","0.1362","0.1407","","","","","","1.122","","","","has coordinates","252764","2020-10-21","18:00:00",""
"7703830","11.473","0.009","12.935","0.01","16.291","0.013","68.059","0.01","74.282","0.01","84.609","0.01","2159","3","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H34 Cl3 Ir N3 O3 P S2 -","- C48 H34 Cl3 Ir N3 O3 P S2 -","- C96 H68 Cl6 Ir2 N6 O6 P2 S4 -","2","1","","Liu, Zhao; Xu, Yanmin; Yue, Ling; Li, Ming; Yang, Xiaolong; Sun, Yuanhui; Yan, Lihe; Zhou, Guijiang","Iridium(iii) complexes with the dithieno[3,2-b:2',3'-d]phosphole oxide group and their high optical power limiting performances.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4967","4976","10.1039/d0dt00102c","","","0.71073","MoKα","","0.0893","0.0598","","","0.1391","0.158","","","","","","1.011","","","","has coordinates","251649","2020-10-21","18:00:00",""
"7703831","19.85","0.004","9.268","0.0019","14.146","0.003","90","","90","","90","","2602.4","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 Co N2 O12.5 -","- C23 H33 Co N2 O12.5 -","- C92 H132 Co4 N8 O50 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.71075","Synchrotron","","0.0491","0.0398","","","0.0924","0.097","","","","","","1.092","","","","has coordinates,has disorder","251622","2020-10-21","18:00:00",""
"7703832","19.8716","0.0004","9.3173","0.0002","14.114","0.0004","90","","90","","90","","2613.2","0.11","123","0.13","123","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 N2 O12.5 Zn -","- C23 H33 N2 O12.5 Zn -","- C92 H132 N8 O50 Zn4 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","x-ray","1.54184","CuKα","","0.0671","0.0586","","","0.1481","0.1551","","","","","","1.091","","","","has coordinates","251622","2020-10-21","18:00:00",""
"7703833","20.457","0.0003","9.32","0.0002","14.195","0.0002","90","","90","","90","","2706.41","0.08","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 Cd N2 O12.5 -","- C23 H28 Cd N2 O11 -","- C92 H112 Cd4 N8 O44 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.7109","Synchrotron","","0.0333","0.0329","","","0.0892","0.0896","","","","","","1.066","","","","has coordinates,has disorder","251622","2020-10-21","18:00:00",""
"7703834","8.1599","0.0002","10.2806","0.0002","18.7575","0.0005","82.534","0.001","83.468","0.001","84.872","0.001","1545.62","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H47 Cd N3 O17 -","- C23 H28 Cd N2 O10 -","- C46 H56 Cd2 N4 O20 -","2","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.71073","MoKα","","0.0292","0.0263","","","0.0702","0.0757","","","","","","1.083","","","","has coordinates,has disorder","287902","2023-11-30","17:30:53",""
"7703835","9.6056","0.0016","15.424","0.003","16.78","0.003","95.434","0.007","106.266","0.007","91.765","0.009","2371.6","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 La2 N3 O15 P3 -","- C22 H46 La2 N3 O15 P3 -","- C44 H92 La4 N6 O30 P6 -","2","1","","Levenson, Daniel A.; Zhang, Jinfeng; Gelfand, Benjamin S.; Kammampata, Sanoop P.; Thangadurai, Venkataraman; Shimizu, George K. H.","Particle size dependence of proton conduction in a cationic lanthanum phosphonate MOF.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4022","4029","10.1039/c9dt04229f","","","0.71073","MoKα","","0.0768","0.0494","","","0.1156","0.1272","","","","","","0.968","","","","has coordinates","250288","2020-10-21","18:00:00",""
"7703836","8.5576","0.0001","14.0902","0.0001","13.4262","0.0001","90","","99.307","0.001","90","","1597.6","0.03","150","0.1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 S2 Si -","- C16 H20 S2 Si -","- C64 H80 S8 Si4 -","4","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","","1.54184","CuKα","","0.0257","0.0243","","","0.0625","0.0636","","","","","","1.044","","","","has coordinates","252754","2020-10-21","18:00:00",""
"7703837","26.2033","0.0002","12.75","0.0001","38.5848","0.0003","90","","105.003","0.001","90","","12451.5","0.18","150.01","0.14","150.01","0.14","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C57 H44 B Cl4 F24 Rh S2 Si -","- C57 H44 B Cl4 F24 Rh S2 Si -","- C456 H352 B8 Cl32 F192 Rh8 S16 Si8 -","8","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","x-ray","1.54184","CuKα","","0.0326","0.0306","","","0.0811","0.0829","","","","","","1.025","","","","has coordinates,has disorder","252754","2020-10-21","18:00:00",""
"7703838","12.4418","0.0003","12.9564","0.0003","20.2172","0.0006","99.872","0.002","101.171","0.002","97.292","0.002","3106.4","0.14","150","0.16","150","0.16","","","","","","","","8","P -1","-P 1","2","","","","- C57 H46 B Cl2 F24 Rh S2 Si -","- C57 H46 B Cl2 F24 Rh S2 Si -","- C114 H92 B2 Cl4 F48 Rh2 S4 Si2 -","2","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","x-ray","1.54184","CuKα","","0.0532","0.0464","","","0.1202","0.1265","","","","","","1.02","","","","has coordinates,has disorder","252754","2020-10-21","18:00:00",""
"7703839","13.0258","0.0004","14.6748","0.0005","16.5971","0.0006","64.937","0.003","82.448","0.003","74.53","0.003","2769.1","0.18","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 B F24 N2 Rh S2 Si -","- C52 H38 B F24 N2 Rh S2 Si -","- C104 H76 B2 F48 N4 Rh2 S4 Si2 -","2","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","x-ray","1.54184","CuKα","","0.0593","0.0546","","","0.1486","0.1536","","","","","","1.036","","","","has coordinates,has disorder","252754","2020-10-21","18:00:00",""
"7703840","14.31","0.004","14.8","0.004","7.2165","0.0018","90","","102.584","0.008","90","","1491.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cu N2 O6 -","- C28 H44 Cu N2 O6 -","- C56 H88 Cu2 N4 O12 -","2","0.5","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.1645","0.0679","","","0.154","0.2069","","","","","","1.049","","","","has coordinates,has disorder","251654","2020-10-21","18:00:00",""
"7703841","7.5254","0.0016","7.7391","0.0015","22.763","0.005","90","","90","","90","","1325.7","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.0553","0.0412","","","0.1067","0.1177","","","","","","1.03","","","","has coordinates","251654","2020-10-21","18:00:00",""
"7703842","7.0928","0.0016","15.026","0.004","16.003","0.004","90","","92.895","0.009","90","","1703.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cu N2 O6 -","- C36 H40 Cu N2 O6 -","- C72 H80 Cu2 N4 O12 -","2","0.5","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.0538","0.0408","","","0.106","0.1134","","","","","","1.07","","","","has coordinates","251654","2020-10-21","18:00:00",""
"7703843","17.161","0.005","18.613","0.005","19.954","0.006","87.895","0.01","84.097","0.01","83.089","0.01","6292","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 Cu4 N4 O13 -","- C56 H84 Cu4 N4 O13 -","- C224 H336 Cu16 N16 O52 -","4","2","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.114","0.0665","","","0.1733","0.2002","","","","","","1.135","","","","has coordinates,has disorder","251654","2020-10-21","18:00:00",""
"7703844","7.0962","0.0007","7.1676","0.0007","10.1546","0.0016","71.083","0.011","74.381","0.011","89.881","0.008","468.49","0.11","200.05","0.1","200.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","x-ray","0.71073","MoKα","","0.0699","0.0558","","","0.1287","0.1362","","","","","","1.022","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703845","7.2754","0.0008","7.4315","0.0009","10.3903","0.0014","72.23","0.011","70.501","0.011","89.988","0.01","501.04","0.12","260","1","260","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","x-ray","0.71073","MoKα","","0.0557","0.0546","","","0.1052","0.1071","","","","","","1.048","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703846","7.2433","0.0004","7.4455","0.0004","10.4263","0.0009","71.858","0.006","69.586","0.006","89.943","0.005","497.11","0.06","260","","260","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","","0.71073","MoKα","","0.0444","0.0417","","","0.1113","0.1134","","","","","","1.141","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703847","7.1262","0.0005","7.1724","0.0005","10.1727","0.0008","71.02","0.007","75.175","0.006","89.95","0.006","473.38","0.07","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","x-ray","0.71073","MoKα","","0.0371","0.0366","","","0.0765","0.0771","","","","","","1.052","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703848","11.6631","0.0002","19.2898","0.0002","20.1981","0.0002","90","","93.545","0.001","90","","4535.45","0.1","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Eu F18 N2 O8 P2 -","- C33 H31 Eu F18 N2 O8 P2 -","- C132 H124 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","x-ray","0.71073","MoKα","","0.0548","0.0439","","","0.1127","0.1177","","","","","","1.053","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703849","11.6565","0.0002","19.2883","0.0003","20.1991","0.0003","90","","93.463","0.001","90","","4533.15","0.12","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 F18 Gd N2 O8 P2 -","- C33 H31 F18 Gd N2 O8 P2 -","- C132 H124 F72 Gd4 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0432","0.0395","","","0.1039","0.107","","","","","","1.031","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703850","11.6679","0.0003","19.2967","0.0004","20.2075","0.0004","90","","93.568","0.002","90","","4540.94","0.18","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Eu F18 N2 O8 P2 -","- C32.6845 H31 Eu F18 N2 O8 P2 -","- C130.738 H124 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","x-ray","0.71073","MoKα","","0.0485","0.0418","","","0.1102","0.1142","","","","","","1.042","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703851","11.1654","0.0001","20.571","0.0002","20.3672","0.0002","90","","99.695","0.001","90","","4611.2","0.08","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 F18 Gd N2 O8 P2 -","- C36 H37 F18 Gd N2 O8 P2 -","- C144 H148 F72 Gd4 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0229","0.0212","","","0.0505","0.0512","","","","","","1.026","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703852","11.202","0.0002","20.6003","0.0003","20.384","0.0004","90","","99.687","0.002","90","","4636.83","0.14","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Eu F18 N2 O8 P2 -","- C36 H37.5 Eu F18 N2 O8 P2 -","- C144 H150 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0358","0.0303","","","0.0691","0.0711","","","","","","1.033","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703853","11.1904","0.0001","20.5895","0.0002","20.3663","0.0002","90","","99.79","0.001","90","","4624.16","0.08","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Eu F18 N2 O8 P2 -","- C36 H37 Eu F18 N2 O8 P2 -","- C144 H148 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0272","0.024","","","0.0563","0.0572","","","","","","1.031","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703854","27.367","0.004","7.1959","0.0007","12.6155","0.001","90","","98.721","0.01","90","","2455.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B34 H8 K6 Na4 O60 -","- B34 H8 K6 Na4 O60 -","- B68 H16 K12 Na8 O120 -","2","0.25","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.0497","0.0415","","","0.1223","0.1277","","","","","","1.068","","","","has coordinates","249694","2020-10-21","18:00:00",""
"7703855","9.962","0.0008","8.4251","0.0007","26.509","0.002","90","","93.982","0.007","90","","2219.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al4 B26 H8 Na14 O56 -","- Al4 B26 H8 Na14 O56 -","- Al8 B52 H16 Na28 O112 -","2","0.25","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.0343","0.0278","","","0.0698","0.0729","","","","","","1.059","","","","has coordinates","249694","2020-10-21","18:00:00",""
"7703856","11.0834","0.0004","13.298","0.0004","18.3364","0.0007","90","","94.584","0.001","90","","2693.9","0.16","233","2","232.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Br4 Co4 N4 -","- C56 H62 Br4 Co4 N4 -","- C112 H124 Br8 Co8 N8 -","2","0.5","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0504","0.042","","","0.1052","0.1108","","","","","","1.053","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703857","11.4966","0.0012","13.3441","0.0013","22.168","0.002","76.217","0.002","82.452","0.002","76.299","0.002","3198.8","0.5","184","2","184.65","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H87 Co N4 P -","- C67 H87 Co N4 P -","- C134 H174 Co2 N8 P2 -","2","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.177","0.0883","","","0.1881","0.2371","","","","","","1.004","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703858","16.5905","0.0007","23.4842","0.001","15.8812","0.0006","90","","90","","90","","6187.5","0.4","200","2","200","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H41 Br Co N2 P2 -","- C30 H41 Br Co N2 P2 -","- C240 H328 Br8 Co8 N16 P16 -","8","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0704","0.0657","","","0.2125","0.2196","","","","","","1.105","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703859","21.7144","0.0007","21.179","0.0007","10.5333","0.0003","90","","90","","90","","4844.2","0.3","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H71 Br2 Co Li N2 O4 -","- C48 H71 Br2 Co Li N2 O4 -","- C192 H284 Br8 Co4 Li4 N8 O16 -","4","0.5","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0815","0.0486","","","0.1157","0.1333","","","","","","1.063","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703860","11.2848","0.0007","13.9972","0.0009","18.1516","0.0012","101.351","0.001","105.326","0.001","109.046","0.001","2484.6","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H71 Cl3 Co2 Li N2 O4 -","- C48 H71 Cl3 Co2 Li N2 O4 -","- C96 H142 Cl6 Co4 Li2 N4 O8 -","2","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0605","0.0413","","","0.0969","0.107","","","","","","1.018","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703861","11.4692","0.0008","15.6632","0.0011","21.5144","0.0015","70.367","0.001","80.862","0.001","69.885","0.001","3414.1","0.4","184","2","184.65","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H78 Br0.6 Cl3.41 Co3 N4 -","- C64 H78 Br0.604 Cl3.396 Co3 N4 -","- C128 H156 Br1.208 Cl6.792 Co6 N8 -","2","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0614","0.0431","","","0.1126","0.1286","","","","","","0.981","","","","has coordinates,has disorder","251623","2020-10-21","18:00:00",""
"7703862","14.969","0.005","16.001","0.005","19.069","0.006","91.88","0.005","109.446","0.006","110.618","0.005","3972","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H53 Cl2 N O3 Si2 W -","- C39 H53 Cl2 N O3 Si2 W -","- C156 H212 Cl8 N4 O12 Si8 W4 -","4","2","","Muraoka, Takako; Tsuchimoto, Masato; Ueno, Keiji","Synthesis, structure, and reactivity of a pyridine-stabilized silanonetungsten complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5100","5107","10.1039/d0dt00497a","","","0.71073","MoKα","","0.0401","0.0336","","","0.0903","0.0925","","","","","","1.01","","","","has coordinates,has disorder","251625","2020-10-21","18:00:00",""
"7703863","41.02","0.005","10.8934","0.0011","16.974","0.0019","90","","107.113","0.002","90","","7249","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H55 O2 P Si2 W -","- C35 H55 O2 P Si2 W -","- C280 H440 O16 P8 Si16 W8 -","8","1","","Muraoka, Takako; Tsuchimoto, Masato; Ueno, Keiji","Synthesis, structure, and reactivity of a pyridine-stabilized silanonetungsten complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5100","5107","10.1039/d0dt00497a","","","0.71073","MoKα","","0.0273","0.0256","","","0.0692","0.0696","","","","","","1.159","","","","has coordinates","251625","2020-10-21","18:00:00",""
"7703864","28.087","0.002","28.087","0.002","9.4238","0.0007","90","","90","","90","","7434.2","0.9","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H55 O3 P Si2 W -","- C36 H55 O3 P Si2 W -","- C288 H440 O24 P8 Si16 W8 -","8","1","","Muraoka, Takako; Tsuchimoto, Masato; Ueno, Keiji","Synthesis, structure, and reactivity of a pyridine-stabilized silanonetungsten complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5100","5107","10.1039/d0dt00497a","","","0.71073","MoKα","","0.036","0.0289","","","0.0636","0.0654","","","","","","0.982","","","","has coordinates","251625","2020-10-21","18:00:00",""
"7703865","7.8767","0.0004","10.0877","0.0005","10.6978","0.0005","105.23","0.004","107.161","0.004","102.068","0.004","744.83","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","dimethyl 2-iodo-[1,1'-biphenyl]-4,4'-dicarboxylate","","- C16 H13 I O4 -","- C16 H13 I O4 -","- C32 H26 I2 O8 -","2","1","","Bryant, Macguire R.; Richardson, Christopher","Hypervalent organoiodine(v) metal-organic frameworks: syntheses, thermal studies and stoichiometric oxidants.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5167","5174","10.1039/d0dt00870b","","x-ray","0.71073","MoKα","","0.0217","0.0197","","","0.0527","0.0533","","","","","","1.043","","","","has coordinates","251620","2020-10-21","18:00:00",""
"7703866","8.19869","0.00018","8.27594","0.00019","13.9191","0.0002","86.9929","0.0016","74.1903","0.0017","69.153","0.002","848.18","0.03","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","2-iodo-[1,1'-biphenyl]-4,4'-dicarboxylic acid dimethylsulfoxide solvate","","- C16 H15 I O5 S -","- C16 H15 I O5 S -","- C32 H30 I2 O10 S2 -","2","1","","Bryant, Macguire R.; Richardson, Christopher","Hypervalent organoiodine(v) metal-organic frameworks: syntheses, thermal studies and stoichiometric oxidants.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5167","5174","10.1039/d0dt00870b","","x-ray","0.71073","MoKα","","0.0341","0.0262","","","0.064","0.0676","","","","","","1.039","","","","has coordinates,has disorder","251620","2020-10-21","18:00:00",""
"7703867","14.6757","0.0006","15.6115","0.0006","21.3053","0.0008","90","","109.233","0.002","90","","4608.8","0.3","180","","180","","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Cl2 Mo2 N6 O6 P2 -","- C43 H38 Cl2 Mo2 N6 O6 P2 -","- C172 H152 Cl8 Mo8 N24 O24 P8 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","1.5418","CuKα","","0.0483","0.0378","","0.0813","0.0757","0.0813","","","","","","0.9133","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703868","10.4126","0.0003","22.0156","0.0005","10.8107","0.0003","90","","109.128","0.003","90","","2341.41","0.12","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Mo N3 O5 P -","- C23 H18 Mo N3 O5 P -","- C92 H72 Mo4 N12 O20 P4 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0463","0.0332","","","0.0649","0.0698","","","","","","1.028","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703869","10.5568","0.0003","14.7613","0.0005","15.457","0.0004","105.255","0.003","108.189","0.003","92.397","0.003","2187.43","0.13","130","0.14","130","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 Cl2 N3 O4 P W -","- C20 H14 Cl2 N3 O4 P W -","- C80 H56 Cl8 N12 O16 P4 W4 -","4","2","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0455","0.0281","","","0.0504","0.0551","","","","","","1.033","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703870","9.329","0.0003","14.1222","0.0005","14.9039","0.0006","90","","92.657","0.0013","90","","1961.42","0.12","180","","180","","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Mo N3 O3 P -","- C21 H18 Mo N3 O3 P -","- C84 H72 Mo4 N12 O12 P4 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","1.54178","CuKα","","0.0259","0.0231","","0.0593","0.0559","0.0593","","","","","","0.942","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703871","10.7277","0.0006","11.7959","0.0005","19.1179","0.0007","79.702","0.003","84.994","0.004","65.607","0.005","2167.54","0.19","130","0.14","130","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C34 H18 Br6 Mo N6 O4 P2 -","- C34 H18 Br6 Mo N6 O4 P2 -","- C68 H36 Br12 Mo2 N12 O8 P4 -","2","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0788","0.0449","","","0.0961","0.1064","","","","","","1.032","","","","has coordinates,has disorder","251629","2020-10-21","18:00:00",""
"7703872","17.0942","0.0002","10.2626","0.0001","17.9547","0.0002","90","","90","","90","","3149.81","0.06","130","0.14","130","0.14","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H24 N6 O4 P2 W -","- C34 H24 N6 O4 P2 W -","- C136 H96 N24 O16 P8 W4 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0203","0.0177","","","0.036","0.0369","","","","","","1.103","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703873","9.573","0.0007","11.5948","0.0007","5.1311","0.0004","90","","90","","90","","569.54","0.07","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F4 H8 N2 O8 S2 Sb2 -","- F4 H8 N2 O8 S2 Sb2 -","- F8 H16 N4 O16 S4 Sb4 -","2","0.5","","He, Fangfang; Ge, Yuwei; Zhao, Xiaoyu; He, Jing; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong","Two-stage evolution from phosphate to sulfate of new KTP-type family members as UV nonlinear optical materials through chemical cosubstitution-oriented design.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5276","5282","10.1039/d0dt00846j","","","0.71073","MoKα","","0.0261","0.0223","","","0.0537","0.0554","","","","","","1.005","","","","has coordinates","251614","2020-10-21","18:00:00",""
"7703874","6.5374","0.0004","6.5425","0.0005","8.3743","0.0006","68.272","0.003","68.966","0.003","89.938","0.004","306.95","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- F H6 N O5 P Sb -","- F H6 N O5 P Sb -","- F2 H12 N2 O10 P2 Sb2 -","2","1","","He, Fangfang; Ge, Yuwei; Zhao, Xiaoyu; He, Jing; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong","Two-stage evolution from phosphate to sulfate of new KTP-type family members as UV nonlinear optical materials through chemical cosubstitution-oriented design.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5276","5282","10.1039/d0dt00846j","","","0.71073","MoKα","","0.0396","0.0344","","","0.091","0.0948","","","","","","0.973","","","","has coordinates","251614","2020-10-21","18:00:00",""
"7703875","6.3803","0.0003","15.7214","0.0006","10.7123","0.0004","90","","92.886","0.001","90","","1073.16","0.08","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Ba N6 O7 -","- C3 H8 Ba N6 O7 -","- C12 H32 Ba4 N24 O28 -","4","1","","Hao, Wenjia; Jin, Bo; Zhang, Jinhao; Li, Xiaoyi; Huang, Tao; Shen, Juan; Peng, Rufang","Novel energetic metal-organic frameworks assembled from the energetic combination of furazan and tetrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6295","6301","10.1039/d0dt00862a","","","1.34139","GaKα","","0.0486","0.047","","","0.1192","0.1202","","","","","","1.171","","","","has coordinates","252771","2020-10-21","18:00:00",""
"7703876","12.7154","0.0007","4.4053","0.0002","14.5814","0.0009","90","","98.481","0.005","90","","807.85","0.08","200.01","0.1","200.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N6 O5 Pb -","- C3 H4 N6 O5 Pb -","- C12 H16 N24 O20 Pb4 -","4","0.5","","Hao, Wenjia; Jin, Bo; Zhang, Jinhao; Li, Xiaoyi; Huang, Tao; Shen, Juan; Peng, Rufang","Novel energetic metal-organic frameworks assembled from the energetic combination of furazan and tetrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6295","6301","10.1039/d0dt00862a","","x-ray","0.71073","MoKα","","0.0175","0.0174","","","0.0419","0.0421","","","","","","0.96","","","","has coordinates,has disorder","252771","2020-10-21","18:00:00",""
"7703877","7.7863","0.0001","25.6928","0.0001","11.0626","0.0001","90","","91.291","0.001","90","","2212.53","0.04","273","0.1","273","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br4 Mn N2 -","- C16 H22 Br4 Mn N2 -","- C64 H88 Br16 Mn4 N8 -","4","1","","Gao, Wanru; Leng, Meiying; Hu, Zhixiang; Li, Junze; Li, Dehui; Liu, Huan; Gao, Liang; Niu, Guangda; Tang, Jiang","Reversible luminescent humidity chromism of organic-inorganic hybrid PEA<sub>2</sub>MnBr<sub>4</sub> single crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5662","5668","10.1039/d0dt00514b","","x-ray","1.54184","CuKα","","0.0493","0.0468","","","0.1195","0.1214","","","","","","1.0236","","","","has coordinates","252755","2020-10-21","18:00:00",""
"7703878","13.2722","0.0005","13.4363","0.0005","15.3662","0.0007","81.307","0.002","74.676","0.002","77.317","0.002","2565.68","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","[{Rh(CO)2(N3Dipp2)}2]","","- C52 H68 N6 O4 Rh2 -","- C52 H68 N6 O4 Rh2 -","- C104 H136 N12 O8 Rh4 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0709","0.0409","","","0.078","0.0891","","","","","","1.04","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703879","16.5557","0.0005","11.0635","0.0003","18.9451","0.0006","90","","104.915","0.001","90","","3353.15","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Li(OEt2)2(N3Dipp2)]","","- C32 H54 Li N3 O2 -","- C32 H54 Li N3 O2 -","- C128 H216 Li4 N12 O8 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0979","0.0613","","","0.1647","0.19","","","","","","1.03","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703880","17.0526","0.0008","8.8969","0.0003","18.8292","0.0008","90","","93.738","0.002","90","","2850.6","0.2","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[Rh(N3Dipp2)(COD)]","","- C32 H46 N3 Rh -","- C32 H46 N3 Rh -","- C128 H184 N12 Rh4 -","4","0.5","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0189","0.0186","","","0.0477","0.0479","","","","","","1.117","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703881","13.5047","0.0012","14.7204","0.0012","18.3174","0.0017","85.51","0.004","76.563","0.004","84.116","0.004","3517.5","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H108 N7 O2 Rh2 -","- C71 H108 N7 O2 Rh2 -","- C142 H216 N14 O4 Rh4 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0823","0.0438","","","0.0897","0.1039","","","","","","1.021","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703882","10.5092","0.0006","11.2966","0.0006","14.1488","0.0007","93.648","0.002","102.187","0.002","113.466","0.002","1485.51","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","[Rh(cod)(DippForm)]","","- C33 H47 N2 Rh -","- C33 H47 N2 Rh -","- C66 H94 N4 Rh2 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0686","0.046","","","0.1016","0.1134","","","","","","1.059","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703883","15.7881","0.0019","13.8759","0.0018","17.064","0.002","90","","90.921","0.005","90","","3737.8","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N2 O Rh2 -","- C41 H60 N2 O Rh2 -","- C164 H240 N8 O4 Rh8 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0278","0.0237","","","0.0556","0.0581","","","","","","1.029","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703884","34.876","0.003","26.438","0.003","22.979","0.002","90","","115.098","0.005","90","","19187","3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H105 Cl Li N6 O6 Rh3 -","- C81 H105 Cl Li N6 O6 Rh3 -","- C648 H840 Cl8 Li8 N48 O48 Rh24 -","8","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0931","0.0589","","","0.1656","0.1918","","","","","","1.037","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703885","10.105","0.003","14.969","0.005","24.904","0.007","90","","99.173","0.016","90","","3719","2","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Na(THF)3(N3Dipp2)]","","- C36 H58 N3 Na O3 -","- C36 H58 N3 Na O3 -","- C144 H232 N12 Na4 O12 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.2305","0.0817","","","0.1968","0.2909","","","","","","0.892","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703886","18.8789","0.0009","18.6075","0.0009","19.515","0.0008","90","","111.063","0.002","90","","6397.4","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Li(THF)2(N3Dipp2)]","","- C32 H50 Li N3 O2 -","- C32 H50 Li N3 O2 -","- C256 H400 Li8 N24 O16 -","8","2","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1352","0.0621","","","0.1548","0.1917","","","","","","1.034","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703887","8.978","0.0006","10.663","0.0009","21.8772","0.0019","80.65","0.004","85.194","0.004","79.586","0.004","2029.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[K(18-crown-6)(N3Dipp2)]","","","- C39.5 H62 K N3 O6 -","- C39.5 H62 K N3 O6 -","- C79 H124 K2 N6 O12 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0879","0.049","","","0.1091","0.126","","","","","","1.042","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703888","20.0231","0.0015","10.9042","0.0008","33.135","0.003","90","","105.34","0.004","90","","6976.8","1","150","2","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Na(DME)2(N3Dipp2)]","","- C32 H54 N3 Na O4 -","- C32 H54 N3 Na O4 -","- C256 H432 N24 Na8 O32 -","8","2","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.2242","0.078","","","0.1772","0.2454","","","","","","0.978","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703889","14.2751","0.0005","15.4085","0.0005","16.3889","0.0006","90","","108.583","0.001","90","","3416.9","0.2","150","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[K(DME)2(N3Dipp2)]","","","- C32 H54 K N3 O4 -","- C32 H54 K N3 O4 -","- C128 H216 K4 N12 O16 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0625","0.0422","","","0.0982","0.1088","","","","","","1.033","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703890","14.0109","0.0015","16.0444","0.0013","18.2255","0.0018","90","","86.298","0.004","90","","4088.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Na(N3Dipp2)(15-crown-5)]","","- C41 H62 N3 Na O5 -","- C41 H62 N3 Na O5 -","- C164 H248 N12 Na4 O20 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.2016","0.0703","","","0.138","0.1868","","","","","","0.96","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703891","13.1068","0.0009","14.9847","0.001","15.9757","0.0011","96.923","0.004","110.851","0.003","98.577","0.003","2847.7","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","[K(THF)1.5(N3Dipp2)]","","","- C57.5 H84 K2 N6 O1.5 -","- C57.5 H84 K2 N6 O1.5 -","- C115 H168 K4 N12 O3 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1096","0.0612","","","0.1501","0.1725","","","","","","1.033","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703892","14.5014","0.0004","16.4263","0.0004","21.0903","0.0006","90","","109.584","0.003","90","","4733.2","0.2","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[InCl(N3Dipp2)2]","","- C48 H68 Cl In N6 -","- C48 H68 Cl In N6 -","- C192 H272 Cl4 In4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0385","0.0275","","","0.0613","0.0667","","","","","","1.049","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703893","13.5767","0.0005","20.2026","0.0007","35.6666","0.0011","90","","90","","90","","9782.8","0.6","180","","180.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[Tl(N3Dipp2)]2","","- C48 H68 N6 Tl2 -","- C48 H68 N6 Tl2 -","- C384 H544 N48 Tl16 -","8","2","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0671","0.0379","","","0.0554","0.0615","","","","","","1.023","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703894","14.375","0.003","16.586","0.003","21.259","0.004","90","","109.19","0.03","90","","4787","1.8","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[InI(N3Dipp2)2]","","- C48 H66 I In N6 -","- C48 H66 I In N6 -","- C192 H264 I4 In4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1797","0.0905","","","0.2067","0.2658","","","","","","1.039","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703895","14.6502","0.0006","16.1245","0.0006","20.9328","0.0008","90","","110.465","0.002","90","","4632.8","0.3","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[GaH(N3Dipp2)2]","","- C48 H69 Ga N6 -","- C48 H69 Ga N6 -","- C192 H276 Ga4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0805","0.0571","","","0.1535","0.1675","","","","","","1.046","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703896","10.764","0.003","11.169","0.003","12.729","0.005","96.76","0.017","114.864","0.01","105.707","0.012","1288.8","0.7","150","","150.15","","","","","","","","","5","P -1","-P 1","2","","[GaI(N3Dipp2)]2","","- C48 H68 Ga2 I2 N6 -","- C48 H68 Ga2 I2 N6 -","- C48 H68 Ga2 I2 N6 -","1","0.5","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1809","0.089","","","0.2015","0.2382","","","","","","1.06","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703897","14.315","0.003","16.444","0.003","21.068","0.004","90","","109.614","0.009","90","","4671.6","1.6","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[GaCl(N3Dipp2)2]","","- C48 H68 Cl Ga N6 -","- C48 H68 Cl Ga N6 -","- C192 H272 Cl4 Ga4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1154","0.0544","","","0.1134","0.1359","","","","","","1.021","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703898","10.2807","0.0004","10.9865","0.0004","14.6713","0.0005","70.88","0.0011","79.7465","0.0013","74.6877","0.0015","1502.48","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","[(Piso)Rh(CO)2]","","- C31 H43 N2 O2 Rh -","- C31 H43 N2 O2 Rh -","- C62 H86 N4 O4 Rh2 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0265","0.0242","","","0.0609","0.0625","","","","","","1.055","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703899","9.4904","0.0004","18.29","0.0008","20.8209","0.0007","90","","99.416","0.002","90","","3565.4","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Giso)Rh(CO2)]","","- C39 H56 N3 O2 Rh -","- C39 H56 N3 O2 Rh -","- C156 H224 N12 O8 Rh4 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0356","0.028","","","0.0649","0.0689","","","","","","1.036","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703900","14.6044","0.0006","16.5465","0.0009","21.0726","0.0011","90","","109.055","0.002","90","","4813.2","0.4","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[TlCl(N3Dipp2)2]","","- C48 H68 Cl N6 Tl -","- C48 H68 Cl N6 Tl -","- C192 H272 Cl4 N24 Tl4 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0364","0.0244","","","0.0497","0.0532","","","","","","1.041","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703901","14.57","0.003","16.835","0.003","21.235","0.004","90","","108.21","0.03","90","","4947.8","1.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[TlBr(N3Dipp2)2]","","- C48 H68 Br N6 Tl -","- C48 H68 Br N6 Tl -","- C192 H272 Br4 N24 Tl4 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1294","0.0591","","","0.1352","0.1558","","","","","","1.041","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703902","14.667","0.005","16.51","0.006","21.164","0.006","90","","109.752","0.011","90","","4823","3","150","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[InH(N3Dipp2)2]","","- C48 H69 In N6 -","- C48 H69 In N6 -","- C192 H276 In4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0484","0.033","","","0.0827","0.0935","","","","","","1.026","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703903","14.2522","0.0003","5.9764","0.0001","12.0658","0.0002","90","","90","","90","","1027.73","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 O2 P -","- C11 H11 O2 P -","- C44 H44 O8 P4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0611","0.0593","","","0.1632","0.1647","","","","","","1.098","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703904","6.89715","0.00009","12.94011","0.00018","15.83074","0.0002","90","","101.052","0.0013","90","","1386.69","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 O7 P W -","- C11 H9 O7 P W -","- C44 H36 O28 P4 W4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0212","0.0204","","","0.0503","0.0507","","","","","","1.201","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703905","10.8705","0.0003","9.7423","0.0002","11.9176","0.0002","90","","93.452","0.002","90","","1259.83","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 O2 P -","- C14 H17 O2 P -","- C56 H68 O8 P4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0379","0.0344","","","0.0894","0.0915","","","","","","1.082","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703906","7.4569","0.0009","10.591","0.002","26.251","0.004","90","","90","","90","","2073.2","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Cl2 O2 P2 Pt -","- C17 H26 Cl2 O2 P2 Pt -","- C68 H104 Cl8 O8 P8 Pt4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.1763","0.1055","","","0.2316","0.3003","","","","","","1.01","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703907","12.3442","0.0002","12.5495","0.0002","21.9424","0.0004","90","","90","","90","","3399.17","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 O7 P W -","- C14 H15 O7 P W -","- C112 H120 O56 P8 W8 -","8","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.036","0.0302","","","0.0821","0.0851","","","","","","1.064","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703908","12.2774","0.0002","24.2123","0.0003","13.4741","0.0002","90","","113.14","0.002","90","","3683.12","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H58 P2 Si4 -","- C30 H58 P2 Si4 -","- C120 H232 P8 Si16 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0356","0.0331","","","0.0873","0.0895","","","","","","1.035","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703909","11.0044","0.0003","9.7434","0.0003","32.7494","0.001","90","","91.882","0.003","90","","3509.51","0.18","100","0.1","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 O14 P2 W2 -","- C32.0012 H22 O14.0012 P2 W1.9988 -","- C128.005 H88 O56.0048 P8 W7.9952 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0798","0.0672","","","0.1603","0.1672","","","","","","1.15","","","","has coordinates,has disorder","252766","2020-10-21","18:00:00",""
"7703910","10.47577","0.00014","18.4399","0.0002","26.7555","0.0003","90","","95.9198","0.0013","90","","5140.86","0.11","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54.25 H33.5 Cl2.5 F10 N3 P2 Pt2 S -","- C54.25 H33.5 Cl2.5 F10 N3 P2 Pt2 S -","- C217 H134 Cl10 F40 N12 P8 Pt8 S4 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0296","0.0266","","","0.0705","0.0721","","","","","","1.066","","","","has coordinates","251663","2020-10-21","18:00:00",""
"7703911","14.682","0.0002","16.6776","0.0002","24.2836","0.0003","90","","97.7564","0.0013","90","","5891.69","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 F10 N2 O P2 Pt2 -","- C65 H64 F10 N2 O P2 Pt2 -","- C260 H256 F40 N8 O4 P8 Pt8 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0303","0.0231","","","0.0463","0.0486","","","","","","1.03","","","","has coordinates,has disorder","251663","2020-10-21","18:00:00",""
"7703912","10.3815","0.0005","14.8245","0.0008","21.6355","0.0012","108.174","0.005","103.83","0.004","90.839","0.004","3057.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H64 F10 I N5 P2 Pt2 -","- C65 H64 F10 I N5 P2 Pt2 -","- C130 H128 F20 I2 N10 P4 Pt4 -","2","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.1172","0.0826","","","0.1838","0.2029","","","","","","1.118","","","","has coordinates","251663","2020-10-21","18:00:00",""
"7703913","10.9852","0.0009","24.082","0.002","20.5966","0.0017","90","","97.523","0.001","90","","5401.8","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","CFT 128.1 CH2Cl2/hex","","","- C54 H38 Cl4 F10 N2 P2 Pt2 S2 -","- C54 H38 Cl4 F10 N2 P2 Pt2 S2 -","- C216 H152 Cl16 F40 N8 P8 Pt8 S8 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0298","0.0232","","","0.0505","0.0525","","","","","","1.005","","","","has coordinates,has disorder","251663","2020-10-21","18:00:00",""
"7703914","12.1374","0.0008","33.666","0.002","16.3939","0.0011","90","","99.688","0.001","90","","6603.3","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C67.5 H67 Cl3 F10 N2 O P2 Pt2 S2 -","- C67.5 H67 Cl3 F10 N2 O P2 Pt2 S2 -","- C270 H268 Cl12 F40 N8 O4 P8 Pt8 S8 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0538","0.0443","","","0.0841","0.0868","","","","","","1.231","","","","has coordinates,has disorder","251663","2020-10-21","18:00:00",""
"7703915","19.3698","0.0006","18.5637","0.0005","23.0499","0.0007","90","","114.034","0.001","90","","7569.6","0.4","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Fe2FebnbpenTp100k","","- C67 H84 B2 Fe3 N22 O8 -","- C67 H84 B2 Fe3 N22 O8 -","- C268 H336 B8 Fe12 N88 O32 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.0507","0.0443","","","0.1083","0.1129","","","","","","1.028","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703916","19.309","0.004","18.909","0.004","23.215","0.004","90","","113.646","0.005","90","","7764","3","299","2","299.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H84 B2 Fe3 N22 O8 -","- C60 H54 B2 Fe3 N22 -","- C240 H216 B8 Fe12 N88 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.0669","0.0485","","","0.1229","0.1379","","","","","","1.029","","","","has coordinates","252818","2020-10-21","18:00:00",""
"7703917","23.678","0.007","21.345","0.008","22.221","0.009","90","","116.701","0.009","90","","10033","6","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bnbpenTp+300k","","- C78 H118 B2 Fe3 N22 O14 -","- C72 H78 B2 Fe3 N22 -","- C288 H312 B8 Fe12 N88 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.1155","0.0658","","","0.1553","0.1847","","","","","","1.041","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703918","18.936","0.006","20.261","0.006","23.361","0.005","90","","113.627","0.009","90","","8211","4","300","2","300.02","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H82 B2 Cl4 Fe3 N22 O3 -","- C66 H66 B2 Fe3 N22 -","- C264 H264 B8 Fe12 N88 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.1053","0.0704","","","0.1792","0.1948","","","","","","1.034","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703919","23.0454","0.0012","19.9288","0.0012","21.8359","0.0011","90","","114.754","0.002","90","","9107","0.9","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H118 B2 Fe3 N22 O14 -","- C78 H118 B2 Fe3 N22 O14 -","- C312 H472 B8 Fe12 N88 O56 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.1153","0.0719","","","0.1948","0.2408","","","","","","1.053","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703920","18.4576","0.0012","20.1964","0.0013","23.1855","0.0012","90","","113.46","","90","","7928.6","0.8","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H90 B2 Cl4 Fe3 N22 O5 -","- C73 H90 B2 Cl4 Fe3 N22 O5 -","- C292 H360 B8 Cl16 Fe12 N88 O20 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.096","0.0754","","","0.1937","0.2095","","","","","","1.052","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703921","11.3337","0.0003","14.1733","0.0003","14.5035","0.0004","82.893","0.001","72.502","0.001","85.981","0.001","2203.57","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Br3 Dy O4 P2 -","- C44 H46 Br3 Dy O4 P2 -","- C88 H92 Br6 Dy2 O8 P4 -","2","1","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Xie, Haomiao; Dunbar, Kim R.","Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4694","4698","10.1039/d0dt00801j","","","1.54178","CuKα","","0.0226","0.0207","","","0.0472","0.0487","","","","","","1.063","","","","has coordinates","251664","2020-10-21","18:00:00",""
"7703922","11.1577","0.0003","13.7559","0.0004","14.4609","0.0004","83.82","0.001","73.207","0.001","86.08","0.001","2110.9","0.1","100","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Cl3 Dy O4 P2 -","- C44 H46 Cl3 Dy O4 P2 -","- C88 H92 Cl6 Dy2 O8 P4 -","2","1","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Xie, Haomiao; Dunbar, Kim R.","Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4694","4698","10.1039/d0dt00801j","","","1.54178","CuKα","","0.024","0.0232","","","0.0588","0.06","","","","","","1.077","","","","has coordinates","251664","2020-10-21","18:00:00",""
"7703923","18.5253","0.0008","23.7303","0.001","20.0073","0.0008","90","","106.966","0.001","90","","8412.6","0.6","110","2","110.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H100.8 Dy I3 O10.3 P4 -","- C84 H84.296 Dy I3 O7.296 P4 -","- C336 H337.184 Dy4 I12 O29.184 P16 -","4","1","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Xie, Haomiao; Dunbar, Kim R.","Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4694","4698","10.1039/d0dt00801j","","","0.71073","MoKα","","0.0324","0.0297","","","0.0739","0.0765","","","","","","1.183","","","","has coordinates,has disorder","251664","2020-10-21","18:00:00",""
"7703924","18.291","0.002","17.4258","0.0019","26.727","0.003","90","","90","","90","","8518.8","1.6","100","2","99.99","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ag4(PN)4","","- C240 H544 Ag16 N64 O4 P16 -","- C240 H544 Ag16 N64 O4 P16 -","- C240 H544 Ag16 N64 O4 P16 -","1","0.125","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.1036","0.0713","","","0.1725","0.2138","","","","","","1.067","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703925","25.417","0.004","15.104","0.002","40.405","0.008","90","","105.657","0.008","90","","14936","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ag4N16P4C60H120","","- C60 H120 Ag4 N16 P4 -","- C60 H120 Ag4 N16 P4 -","- C480 H960 Ag32 N128 P32 -","8","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.0563","0.0455","","","0.1135","0.122","","","","","","1.037","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703926","13.827","0.002","14.5142","0.0018","16.6474","0.0019","88.104","0.005","70.874","0.007","62.002","0.006","2757.7","0.7","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","Ce2(Pipen)6","","- C45 H90 Ce N12 P3 -","- C45 H90 Ce N12 P3 -","- C90 H180 Ce2 N24 P6 -","2","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.0288","0.0266","","","0.0637","0.0656","","","","","","1.052","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703927","13.463","0.002","22.899","0.004","24.461","0.004","90","","93.561","0.007","90","","7527","2","100","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cu4(PN)4 THF","","- C240 H548 Cu16 N64 O4 P16 -","- C240 H548 Cu16 N64 O4 P16 -","- C240 H548 Cu16 N64 O4 P16 -","1","0.25","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.0791","0.0451","","","0.0953","0.1123","","","","","","1.014","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703928","38.6411","0.0012","17.6379","0.0006","33.0067","0.0017","90","","119.314","0.001","90","","19615.1","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C156 H240 N6 Ni21.37 O52 Pd20.63 -","- C156 H240 N6 Ni21.382 O52 Pd20.618 -","- C624 H960 N24 Ni85.528 O208 Pd82.472 -","4","0.5","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.0567","0.0452","","","0.0981","0.1033","","","","","","1.061","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7703929","18.013","0.0014","18.013","0.0014","23.271","0.0017","90","","90","","120","","6539.1","0.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C96 H129 N9 Ni29.27 O42 Pd5.73 -","- C96 H129 N9 Ni29.268 O42 Pd5.732 -","- C192 H258 N18 Ni58.536 O84 Pd11.464 -","2","0.166667","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.1234","0.0988","","","0.2516","0.2793","","","","","","1.089","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7703930","18.0295","0.0015","18.0295","0.0015","23.386","0.002","90","","90","","120","","6583.5","1","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C95 H129 N9 Ni28.91 O42 Pd6.09 -","- C94.9998 H129 N9 Ni28.914 O42 Pd6.086 -","- C190 H258 N18 Ni57.828 O84 Pd12.172 -","2","0.166667","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.1205","0.1011","","","0.2246","0.239","","","","","","1.212","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7703931","11.8454","0.0006","7.2758","0.0004","18.8865","0.001","90","","107.701","0.005","90","","1550.67","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Ag N3 O7 S -","- C13 H12 Ag N3 O7 S -","- C52 H48 Ag4 N12 O28 S4 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0382","0.0297","","","0.0707","0.0773","","","","","","1.042","","","","has coordinates","252803","2020-10-21","18:00:00",""
"7703932","12.346","0.0006","7.4026","0.0004","16.9382","0.0007","90","","104.169","0.004","90","","1500.93","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag N3 O7 -","- C14 H12 Ag N3 O7 -","- C56 H48 Ag4 N12 O28 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.04","0.0292","","","0.062","0.0694","","","","","","1.07","","","","has coordinates","252803","2020-10-21","18:00:00",""
"7703933","6.8388","0.0006","11.9872","0.0009","12.9686","0.0009","113.877","0.007","93.318","0.006","100.412","0.007","945.94","0.14","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Ag2 B2 F8 N6 O8 -","- C32 H30 Ag2 B2 F8 N6 O8 -","- C32 H30 Ag2 B2 F8 N6 O8 -","1","0.5","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0539","0.0391","","","0.0878","0.0986","","","","","","1.067","","","","has coordinates,has disorder","252803","2020-10-21","18:00:00",""
"7703934","10.5822","0.0005","24.4148","0.0008","12.6708","0.0005","90","","114.002","0.006","90","","2990.6","0.3","153","6","153","6","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Ag B F4 N4 O8 S2 -","- C26 H24 Ag B F4 N4 O8 S2 -","- C104 H96 Ag4 B4 F16 N16 O32 S8 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0442","0.0325","","","0.0758","0.0832","","","","","","1.037","","","","has coordinates","252803","2020-10-21","18:00:00",""
"7703935","12.2044","0.0005","7.9645","0.0003","29.653","0.0009","90","","97.886","0.003","90","","2855.07","0.18","160","16","160","16","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Ag B F4 N4 O8 S2 -","- C24 H20 Ag B F4 N4 O8 S2 -","- C96 H80 Ag4 B4 F16 N16 O32 S8 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0391","0.0293","","","0.0641","0.0688","","","","","","1.019","","","","has coordinates,has disorder","252803","2020-10-21","18:00:00",""
"7703936","6.888","0.0014","6.775","0.0014","11.928","0.002","90","","90.08","0.03","90","","556.63","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- O28 Pr3 U6 -","- O28 Pr3 U6 -","- O28 Pr3 U6 -","1","0.5","","Lu, Kimbal Thane; Zhang, Yingjie; Wei, Tao; Čejka, Jiří; Zheng, Rongkun","Layer-structured uranyl-oxide hydroxy-hydrates with Pr(iii) and Tb(iii) ions: hydroxyl to oxo transition driven by interlayer cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5832","5841","10.1039/d0dt00526f","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0468","0.0467","","","0.1073","0.1074","","","","","","1.111","","","","has coordinates","252806","2020-10-21","18:00:00",""
"7703937","13.772","0.003","14.798","0.003","13.743","0.003","90","","119.66","0.03","90","","2433.8","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O27.5 Tb U6 -","- O27.5 Tb U6 -","- O110 Tb4 U24 -","4","1","","Lu, Kimbal Thane; Zhang, Yingjie; Wei, Tao; Čejka, Jiří; Zheng, Rongkun","Layer-structured uranyl-oxide hydroxy-hydrates with Pr(iii) and Tb(iii) ions: hydroxyl to oxo transition driven by interlayer cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5832","5841","10.1039/d0dt00526f","","","0.71077","silicondoublecrystalmonochromatedsynchrotron","","0.0698","0.0587","","","0.1434","0.1512","","","","","","1.016","","","","has coordinates","252806","2020-10-21","18:00:00",""
"7703938","24.5552","0.0017","9.921","0.0006","19.9673","0.0012","90","","102.042","0.002","90","","4757.2","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cu2 N8 O4 -","- C42 H32 Cu2 N8 O4 -","- C168 H128 Cu8 N32 O16 -","4","0.5","","Sartoris, Rosana P.; Santana, Vinicius T.; Freire, Eleonora; Baggio, Ricardo F.; Nascimento, Otaciro R.; Calvo, Rafael","Exchange couplings and quantum phases in two dissimilar arrays of similar copper dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5228","5240","10.1039/d0dt00567c","","","0.71073","MoKα","","0.0358","0.0284","","","0.075","0.0788","","","","","","1.011","","","","has coordinates","251624","2020-10-21","18:00:00",""
"7703939","6.9333","0.00015","9.2527","0.0002","10.8291","0.0002","93.0017","0.0018","96.8379","0.0018","96.4142","0.0018","683.93","0.02","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl F6 P Re -","- C12 H11 Cl F6 P Re -","- C24 H22 Cl2 F12 P2 Re2 -","2","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0265","0.0218","","","0.0458","0.0478","","","","","","1.05","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703940","7.4498","0.0003","8.9441","0.0003","12.475","0.0004","87.943","0.003","81.378","0.003","81.589","0.003","812.91","0.05","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 F6 N P Re -","- C16 H15 F6 N P Re -","- C32 H30 F12 N2 P2 Re2 -","2","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0327","0.0286","","","0.0604","0.0634","","","","","","1.042","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703941","9.2519","0.00008","8.61633","0.00007","21.15676","0.0002","90","","101.937","0.0009","90","","1650.09","0.03","183","0.1","183","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F6 N3 P -","- C16 H14 F6 N3 P -","- C64 H56 F24 N12 P4 -","4","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","1.54184","CuKα","","0.0522","0.0506","","","0.1462","0.1475","","","","","","1.091","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703942","8.7827","0.0004","11.5752","0.0003","14.4118","0.0005","90","","95.847","0.003","90","","1457.5","0.09","183.05","0.1","183.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 F6 P Re -","- C12 H10 Cl2 F6 P Re -","- C48 H40 Cl8 F24 P4 Re4 -","4","0.5","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0263","0.0236","","","0.0548","0.056","","","","","","1.11","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703943","14.62401","0.00013","7.99651","0.00007","25.03769","0.00019","90","","102.434","0.0008","90","","2859.26","0.04","160","0.1","160","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 F6 N6 P Re -","- C32 H26 F6 N6 P Re -","- C128 H104 F24 N24 P4 Re4 -","4","0.5","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","1.54184","CuKα","","0.0282","0.0277","","","0.0748","0.0752","","","","","","1.179","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703944","8.25941","0.00009","16.80045","0.0002","11.25367","0.00014","90","","90","","90","","1561.58","0.03","159.99","0.1","159.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C15 H14 F6 N2 P Re -","- C15 H14 F6 N2 P Re -","- C60 H56 F24 N8 P4 Re4 -","4","0.5","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0249","0.0196","","","0.0385","0.0396","","","","","","1.091","","","","has coordinates,has disorder","251627","2020-10-21","18:00:00",""
"7703945","10.70728","0.00014","16.7513","0.0002","12.06921","0.00017","90","","103.977","0.0014","90","","2100.65","0.05","160","0.1","160","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 F6 N3 P Re -","- C22 H19 F6 N3 P Re -","- C88 H76 F24 N12 P4 Re4 -","4","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0276","0.0207","","","0.0456","0.0474","","","","","","1.018","","","","has coordinates,has disorder","251627","2020-10-21","18:00:00",""
"7703946","9.12699","0.00016","11.2066","0.0002","13.6865","0.0002","88.3898","0.0015","71.1433","0.0016","86.0932","0.0015","1321.65","0.04","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H22.5 F6 N6 O0.25 P Re -","- C28 H22 F6 N6 O0.25 P Re -","- C56 H44 F12 N12 O0.5 P2 Re2 -","2","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0291","0.0235","","","0.0479","0.0491","","","","","","1.05","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703947","24.24","0.0001","8.2533","0.0001","42.2847","0.0002","90","","92.709","0.001","90","","8450.02","0.12","160","0.1","160","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C36 H28 Co F9 N4 O11 Re S3 -","- C36 H28 Co F9 N4 O11 Re S3 -","- C288 H224 Co8 F72 N32 O88 Re8 S24 -","8","2","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","1.54184","CuKα","","0.0712","0.0692","","","0.1587","0.1594","","","","","","1.354","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703948","12.7527","0.004","13.5827","0.0038","15.2564","0.0041","90","","93.4404","0.0139","90","","2637.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cu6 I6 N4 P2 -","- C44 H50 Cu6 I6 N4 P2 -","- C88 H100 Cu12 I12 N8 P4 -","2","0.5","","Xu, Ke; Chen, Bu-Lin; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Feng-Yan; Li, Guang-Hua; Alamry, Khalid A.; Li, Fa-Bao; Wong, Wai-Yeung; Qin, Hai-Mei","From a blue to white to yellow emitter: a hexanuclear copper iodide nanocluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5859","5868","10.1039/c9dt04701h","","","0.71073","MoKα","","0.0598","0.0536","","","0.1263","0.1304","","","","","","1.082","","","","has coordinates","252814","2020-10-21","18:00:00",""
"7703949","11.3684","0.0011","15.6863","0.0016","18.5667","0.0012","90","","90","","90","","3311","0.5","156","2","156.15","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C64 H96 Mg Na2 O8 -","- C64 H96 Mg Na2 O8 -","- C128 H192 Mg2 Na4 O16 -","2","0.25","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","","0.71073","MoKα","","0.0513","0.0426","","","0.1066","0.1128","","","","","","1.043","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7703950","13.3331","0.0001","13.3331","0.0001","37.0015","0.0005","90","","90","","90","","6577.81","0.11","123.05","0.1","123.05","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C65.6 H99.2 Na4 O8.4 -","- C65.6 H99.2 Na4 O8.4 -","- C262.4 H396.8 Na16 O33.6 -","4","0.5","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1348","0.1365","","","","","","1.069","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7703951","12.9924","0.0003","14.0108","0.0003","15.4464","0.0005","90","","100.04","0.003","90","","2768.71","0.13","123.25","0.1","123.25","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C50 H96 Mg N6 Na2 O2 -","- C50 H96 Mg N6 Na2 O2 -","- C100 H192 Mg2 N12 Na4 O4 -","2","1","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","x-ray","1.54184","CuKα","","0.0773","0.0713","","","0.1806","0.1896","","","","","","1.038","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7703952","12.9288","0.0003","9.5177","0.0002","18.2171","0.0005","90","","108.78","0.001","90","","2122.32","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Co I2 N3 O -","- C19 H19 Co I2 N3 O -","- C76 H76 Co4 I8 N12 O4 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0356","0.0273","","","0.0607","0.0654","","","","","","1.062","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703953","9.636","0.0003","13.9208","0.0004","15.4915","0.0005","90","","90","","90","","2078.04","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 Mn N3 O1.5 -","- C19 H19 Cl2 Mn N3 O1.5 -","- C76 H76 Cl8 Mn4 N12 O6 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0285","0.0242","","","0.0544","0.0564","","","","","","1.038","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703954","16.073","0.0004","16.52","0.0004","16.853","0.0004","90","","90","","90","","4474.91","0.19","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36.73 H43.09 Cl0.64 Co2 I1.36 N6.36 O8 -","- C36.728 H43.092 Cl0.637 Co2 I1.362 N6.364 O8 -","- C146.912 H172.368 Cl2.548 Co8 I5.448 N25.456 O32 -","4","0.5","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0777","0.0596","","","0.1827","0.1988","","","","","","1.08","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703955","10.8936","0.0005","19.2866","0.001","13.2468","0.0006","90","","112.981","0.002","90","","2562.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl2 Co N3 O12 -","- C19 H25 Cl2 Co N3 O12 -","- C76 H100 Cl8 Co4 N12 O48 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0657","0.0401","","","0.1019","0.1233","","","","","","1.083","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703956","9.0682","0.0003","11.6181","0.0004","12.1412","0.0004","103.087","0.001","104.193","0.001","90.194","0.001","1205.53","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H21 Cl Co I N3 O6 -","- C19 H21 Cl Co I N3 O6 -","- C38 H42 Cl2 Co2 I2 N6 O12 -","2","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0383","0.0321","","","0.0815","0.0877","","","","","","1.049","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703957","9.5758","0.0002","13.8028","0.0003","15.2197","0.0002","90","","90","","90","","2011.63","0.07","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 Co N3 O1.5 -","- C19 H19 Cl2 Co N3 O1.5 -","- C76 H76 Cl8 Co4 N12 O6 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.023","0.0207","","","0.0514","0.0523","","","","","","1.039","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703958","13.7658","0.0005","15.0676","0.0006","8.9198","0.0003","90","","90","","90","","1850.12","0.12","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Cl2 Co N3 O2 -","- C18 H18 Cl2 Co N3 O2 -","- C72 H72 Cl8 Co4 N12 O8 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0271","0.0245","","","0.0599","0.0615","","","","","","1.054","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703959","7.29913","0.00016","15.8333","0.0003","8.64504","0.00018","90","","90","","90","","999.1","0.04","297","","297","","","","","","","","","4","P n m a","-P 2ac 2n","62","Strontium Europium Oxide Borate","Sr3Eu2B4O12","","- B4 Eu2.001 O12 Sr3.001 -","- B4 Eu2.001 O12 Sr3.001 -","- B16 Eu8.004 O48 Sr12.004 -","4","0.5","","Li, Gui-Hua; Yang, Nian; Guo, Jian-Gang; Wang, Zheng-Liang; Cai, Ge-Mei; Wang, Xiao-Jun","Efficient and stable Sr<sub>3</sub>Eu<sub>2</sub>B<sub>4</sub>O<sub>12</sub> red phosphor benefiting from low symmetry and distorted local environment.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3260","3271","10.1039/c9dt04769g","powder diffraction","","1.5418","CuKα","","","","","","","","","6.7604","2.05","","","","","","","has coordinates","250133","2020-10-21","18:00:00",""
"7703960","13.48","0.008","17.68","0.005","22.61","0.004","90","","92.636","0.01","90","","5383","4","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 F12 N11 O P2 Ru2 S -","- C50 H45 F12 N11 O P2 Ru2 S -","- C200 H180 F48 N44 O4 P8 Ru8 S4 -","4","1","","Domínguez, Sofía E; Pieslinger, German E.; Sanchez-Merlinsky, Luciano; Baraldo, Luis M.","Does geometry matter? Effect of the ligand position in bimetallic ruthenium polypyridine siblings.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4125","4135","10.1039/d0dt00040j","","","0.82602","synchrotron","","0.0573","0.0508","","","0.1188","0.1224","","","","","","1.088","","","","has coordinates,has disorder","250134","2020-10-21","18:00:00",""
"7703961","18.9555","0.0007","12.7596","0.0006","19.0307","0.0006","90","","91.243","0.004","90","","4601.8","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C67 H126 N4 O29 Ti8 -","- C64 H118 N4 O28 Ti8 -","- C128 H236 N8 O56 Ti16 -","2","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.1116","0.0946","","","0.2823","0.3003","","","","","","1.095","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703962","13.686","0.002","25.029","0.004","25.781","0.005","90","","90","","90","","8831","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H109 N6 O30 Ti9 -","- C248 H436 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.0637","0.0618","","","0.1646","0.1669","","","","","","1.045","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703963","13.6676","0.0002","25.0164","0.0004","25.7877","0.0003","90","","90","","90","","8817.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H110 N6 O30 Ti9 -","- C248 H440 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.0561","0.0486","","","0.1283","0.1333","","","","","","1.029","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703964","13.4809","0.0005","24.6175","0.0006","25.6441","0.0007","90","","90","","90","","8510.4","0.4","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H110 N6 O30 Ti9 -","- C248 H440 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","x-ray","1.54184","CuKα","","0.0651","0.0523","","","0.1251","0.137","","","","","","1.072","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703965","17.0355","0.0004","19.0161","0.0007","52.224","0.002","90","","90","","90","","16917.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H110 N6 O30 Ti9 -","- C56 H110 N6 O30 Ti9 -","- C448 H880 N48 O240 Ti72 -","8","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.1392","0.1088","","","0.2903","0.3093","","","","","","1.042","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703966","16.191","0.012","16.55","0.012","18.984","0.012","93.273","0.01","95.531","0.006","119.23","0.009","4387","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H106 N6 O30 Ti9 -","- C56 H106 N6 O30 Ti9 -","- C112 H212 N12 O60 Ti18 -","2","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.1258","0.1035","","","0.2927","0.3141","","","","","","1.083","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703967","12.3641","0.0007","13.154","0.0008","16.321","0.0011","94.343","0.002","100.65","0.002","98.303","0.002","2567","0.3","120","2","119.88","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H90 Cl4 Dy2 N4 O14 -","- C124 H90 Cl4 Dy2 N4 O14 -","- C124 H90 Cl4 Dy2 N4 O14 -","1","0.5","","Wu, Si-Guo; Zhan, Chang-Ye; Huang, Guo-Zhang; Ruan, Ze-Yu; Liu, Jun-Liang; Tong, Ming-Liang","Slow magnetic dynamics in centrosymmetric didysprosium and equilateral triangular tridysprosium molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4164","4171","10.1039/d0dt00481b","","","0.71073","MoKα","","0.0947","0.0586","","","0.1279","0.1432","","","","","","1.035","","","","has coordinates","250136","2020-10-21","18:00:00",""
"7703968","22.1474","0.0008","22.1474","0.0008","45.8653","0.0018","90","","90","","120","","19483.2","1.3","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C139 H115 Cl6 Dy3 N6 O19 -","- C136 H101 Dy3 N6 O15 -","- C816 H605.998 Dy18 N36 O90 -","6","0.333333","","Wu, Si-Guo; Zhan, Chang-Ye; Huang, Guo-Zhang; Ruan, Ze-Yu; Liu, Jun-Liang; Tong, Ming-Liang","Slow magnetic dynamics in centrosymmetric didysprosium and equilateral triangular tridysprosium molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4164","4171","10.1039/d0dt00481b","","","0.71073","MoKα","","0.0783","0.0526","","","0.1493","0.1645","","","","","","1.063","","","","has coordinates,has disorder","250136","2020-10-21","18:00:00",""
"7703969","22.7108","0.0008","25.6088","0.0011","15.9567","0.0006","90","","134.64","","90","","6603.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N5 O7 Zn -","- C26 H22 N5 O7 Zn -","- C208 H176 N40 O56 Zn8 -","8","1","","Guo, Xiang-Guang; Su, Jia; Xie, Wen-Qi; Ni, Shuai-Nan; Gao, Yun; Su, Xiang; Sun, Xiao-Qi","Selective Th(iv) capture from a new metal-organic framework with O<sup>-</sup> groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4060","4066","10.1039/c9dt04912f","","","0.71073","MoKα","","0.0763","0.0714","","","0.1961","0.1986","","","","","","1.401","","","","has coordinates","250137","2020-10-21","18:00:00",""
"7703970","18.4319","0.0011","8.4812","0.0005","10.0288","0.0005","90","","100.191","0.004","90","","1543.01","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H25 K N O9 P S -","- C6 H25 K N O9 P S -","- C24 H100 K4 N4 O36 P4 S4 -","4","1","","Taschner, Ian S.; Aubuchon, Ethan; Schrage, Briana R.; Ziegler, Christopher J.; van der Est, Art","Synthesis and structural studies of copper(ii) complex with N<sub>2</sub>S<sub>2</sub> based N-substituted pendant phosphonic acid arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3545","3552","10.1039/c9dt04869c","","","0.71073","MoKα","","0.0743","0.0452","","","0.088","0.1008","","","","","","1.018","","","","has coordinates","250138","2020-10-21","18:00:00",""
"7703971","18.4749","0.0004","8.1865","0.0002","21.1388","0.0005","90","","90","","90","","3197.13","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Mn N3 O7 -","- C12 H20 Mn N3 O7 -","- C96 H160 Mn8 N24 O56 -","8","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.056","0.0435","","","0.1015","0.1093","","","","","","1.025","","","","has coordinates,has disorder","252822","2020-10-21","18:00:00",""
"7703972","14.004","0.002","14.366","0.002","14.52","0.003","67.61","0.03","61.177","0.017","78.511","0.019","2365.9","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 Mn3 N9 O6.75 S3 -","- C39 H49 Mn3 N9 O6.75 S3 -","- C78 H98 Mn6 N18 O13.5 S6 -","2","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.2359","0.0987","","","0.229","0.2776","","","","","","0.983","","","","has coordinates","252822","2020-10-21","18:00:00",""
"7703973","18.4286","0.0004","7.767","0.0002","20.6985","0.0005","90","","90","","90","","2962.68","0.12","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cl Mn N2 O4 -","- C12 H20 Cl Mn N2 O4 -","- C96 H160 Cl8 Mn8 N16 O32 -","8","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.0412","0.0281","","","0.0672","0.0728","","","","","","1.043","","","","has coordinates","252822","2020-10-21","18:00:00",""
"7703974","13.8316","0.0002","13.8316","0.0002","20.212","0.0004","90","","90","","90","","3866.82","0.11","173","0.1","173","0.1","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C8 H28 N4 O36 S6 Ti4 -","- C8 H28 N4 O36 S6 Ti4 -","- C32 H112 N16 O144 S24 Ti16 -","4","0.125","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","x-ray","1.54178","CuKα","","0.1047","0.0995","","","0.2233","0.2269","","","","","","1.129","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703975","13.7675","0.0002","13.7675","0.0002","20.9391","0.0004","90","","90","","90","","3968.88","0.11","172.99","0.1","172.99","0.1","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C48 H192 N16 O144 S24 Ti16 -","- C48 H192 N16 O144 S24 Ti16 -","- C48 H192 N16 O144 S24 Ti16 -","1","0.03125","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","x-ray","1.54184","CuKα","","0.0901","0.0858","","","0.1855","0.1897","","","","","","1.228","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703976","24.0919","0.0002","24.0919","0.0002","23.1592","0.0003","90","","90","","90","","13442.1","0.2","173","","173","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- H28 O50 S8 Ti4 -","- H8 O40 S8 Ti4 -","- H96 O480 S96 Ti48 -","12","0.75","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","","1.54184","CuKα","","0.0499","0.0439","","","0.1065","0.1175","","","","","","1.082","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703977","15.4295","0.0004","17.3585","0.0005","18.1126","0.0004","109.769","0.002","90.193","0.002","109.105","0.002","4278.2","0.2","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H224 Cl3 N18 O90 S17 Ti8 -","- C72 H224 Cl3 N18 O90 S17 Ti8 -","- C72 H224 Cl3 N18 O90 S17 Ti8 -","1","0.5","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","x-ray","1.54184","CuKα","","0.1876","0.1504","","","0.3949","0.4155","","","","","","1.045","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703978","8.0951","0.0008","19.3688","0.0018","26.478","0.003","90","","93.395","0.002","90","","4144.3","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Cl2 N6 O29 Zn2 -","- C21 H53.65 Cl2 N6 O29 Zn2 -","- C84 H214.6 Cl8 N24 O116 Zn8 -","4","1","","Aleshin, Gleb Yu; Egorova, Bayirta V.; Priselkova, Anna B.; Zamurueva, Lyubov S.; Khabirova, Sofia Yu; Zubenko, Anastasia D.; Karnoukhova, Valentina A.; Fedorova, Olga A.; Kalmykov, Stepan N.","Zinc and copper complexes with azacrown ethers and their comparative stability in vitro and in vivo.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6249","6258","10.1039/d0dt00645a","","","0.71073","MoKα","","0.1036","0.0571","","","0.1148","0.132","","","","","","1.019","","","","has coordinates,has disorder","252769","2020-10-21","18:00:00",""
"7703979","14.5419","0.0009","25.0959","0.0017","18.1368","0.0012","90","","90","","90","","6618.9","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 Mn3 N4 O14 -","- C58 H46 Mn3 N4 O14 -","- C232 H184 Mn12 N16 O56 -","4","0.5","","Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.","Trinuclear Mn<sup>2+</sup>/Zn<sup>2+</sup> based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5454","5462","10.1039/d0dt00794c","","","0.71073","MoKα","","0.1049","0.0826","","","0.2459","0.2731","","","","","","1.05","","","","has coordinates","252760","2020-10-21","18:00:00",""
"7703980","14.5387","0.0004","25.0165","0.0008","18.1249","0.0007","90","","90","","90","","6592.2","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 N4 O14 Zn3 -","- C58 H46 N4 O14 Zn3 -","- C232 H184 N16 O56 Zn12 -","4","0.5","","Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.","Trinuclear Mn<sup>2+</sup>/Zn<sup>2+</sup> based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5454","5462","10.1039/d0dt00794c","","","0.71073","MoKα","","0.0836","0.0583","","","0.1708","0.1843","","","","","","1.084","","","","has coordinates,has disorder","252760","2020-10-21","18:00:00",""
"7703981","28.6963","0.0003","28.6963","0.0003","33.2864","0.0006","90","","90","","90","","27410.6","0.6","223","2","223.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C63 H102 La N3 O6.5 -","- C63 H102 La N3 O6.5 -","- C1008 H1632 La16 N48 O104 -","16","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.0724","0.0464","","","0.1174","0.1392","","","","","","1.104","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703982","10.3685","0.0004","13.2339","0.0005","18.9841","0.0008","101.37","0.003","105.032","0.004","92.632","0.003","2453.41","0.18","223.15","","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 La N3 O4 -","- C42 H68 La N3 O4 -","- C84 H136 La2 N6 O8 -","2","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.0532","0.042","","","0.098","0.1058","","","","","","1.055","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703983","12.1234","0.0006","13.8634","0.0005","15.2486","0.0006","94.998","0.003","107.017","0.004","104.611","0.004","2335.25","0.19","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H74 La N3 O5 -","- C45 H74 La N3 O5 -","- C90 H148 La2 N6 O10 -","2","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","1.54184","CuKα","","0.0624","0.0528","","","0.1309","0.1416","","","","","","1.032","","","","has coordinates","252813","2020-10-21","18:00:00",""
"7703984","12.0092","0.0006","13.9383","0.0006","14.9998","0.0005","95.089","0.003","107.153","0.004","104.378","0.004","2288.12","0.19","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H144 La2 N6 O10 -","- C88 H144 La2 N6 O10 -","- C88 H144 La2 N6 O10 -","1","0.5","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.1096","0.0944","","","0.2344","0.26","","","","","","1.089","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703985","12.9998","0.0005","14.5735","0.0005","15.2374","0.0007","114.717","0.004","101.976","0.004","104.959","0.003","2364.1","0.2","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 La N3 O4.5 -","- C47 H70 La N3 O4.5 -","- C94 H140 La2 N6 O9 -","2","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.054","0.0419","","","0.1049","0.114","","","","","","1.069","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703986","14.273","0.0003","14.273","0.0003","13.9589","0.0003","90","","90","","90","","2843.69","0.1","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H56 Cu4 N8 O16 S4 -","- C48 H56 Cu4 N8 O16 S4 -","- C96 H112 Cu8 N16 O32 S8 -","2","0.5","","Zhang, Pei-Lu; Hou, Xiao-Xiao; Liu, Mei-Rong; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: crystal structures, nanoparticles, and inhibiting angiogenesis and the growth of human breast cancer by regulating the VEGF/VEGFR2 signal pathway in vitro.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6043","6055","10.1039/d0dt00380h","","x-ray","0.71073","MoKα","","0.0765","0.0512","","","0.1435","0.1676","","","","","","1.079","","","","has coordinates,has disorder","252820","2020-10-21","18:00:00",""
"7703987","10.1515","0.0003","13.6106","0.0004","22.1971","0.0009","85.732","0.003","84.872","0.003","85.986","0.002","3039.98","0.18","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C96 H112 Br8 Cl8 Cu8 N8 O20 S8 -","- C96 H112 Br8 Cl8 Cu8 N8 O20 S8 -","- C96 H112 Br8 Cl8 Cu8 N8 O20 S8 -","1","1","","Zhang, Pei-Lu; Hou, Xiao-Xiao; Liu, Mei-Rong; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: crystal structures, nanoparticles, and inhibiting angiogenesis and the growth of human breast cancer by regulating the VEGF/VEGFR2 signal pathway in vitro.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6043","6055","10.1039/d0dt00380h","","x-ray","0.71073","MoKα","","0.0939","0.0614","","","0.1514","0.181","","","","","","1.042","","","","has coordinates","252820","2020-10-21","18:00:00",""
"7703988","11.8593","0.0006","14.5737","0.0007","18.897","0.001","80.335","0.004","74.598","0.004","69.591","0.004","2940.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H88 Ge4 K2 N6 O12 Zn2 -","- C40 H88 Ge4 K2 N6 O12 Zn2 -","- C80 H176 Ge8 K4 N12 O24 Zn4 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0425","0.0259","","","0.0527","0.0571","","","","","","0.965","","","","has coordinates,has disorder","252774","2020-10-21","18:00:00",""
"7703989","9.6916","0.0006","12.2418","0.0007","18.6684","0.0008","99.12","0.004","90.067","0.004","94.894","0.005","2178.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- H48 K6 N16 Sn8 Zn -","- H48 K6 N16 Sn8 Zn -","- H96 K12 N32 Sn16 Zn2 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0494","0.0322","","","0.0667","0.0694","","","","","","0.919","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703990","11.963","0.005","12.328","0.005","12.683","0.006","107.43","0.04","106.66","0.04","104.16","0.03","1594","1.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H96 K2 N10 O12 Zn2 -","- C48 H96 K2 N10 O12 Zn2 -","- C48 H96 K2 N10 O12 Zn2 -","1","0.5","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.1097","0.051","","","0.1003","0.1106","","","","","","0.768","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703991","21.842","0.002","7.2588","0.0015","18.322","0.003","90","","90","","90","","2904.9","0.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H39 K0.84 O6 Rb0.16 Zn -","- C30 H39 K0.843 O6 Rb0.157 Zn -","- C120 H156 K3.372 O24 Rb0.628 Zn4 -","4","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.1647","0.054","","","0.0902","0.1059","","","","","","0.655","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703992","15.757","0.0005","13.1722","0.0005","23.6712","0.0008","90","","94.486","0.003","90","","4898","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H76 K N O8 Zn -","- C47 H76 K N O8 Zn -","- C188 H304 K4 N4 O32 Zn4 -","4","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.095","0.0455","","","0.1018","0.1107","","","","","","0.84","","","","has coordinates,has disorder","252774","2020-10-21","18:00:00",""
"7703993","14.6139","0.0007","14.9181","0.0006","23.6002","0.0008","97.552","0.003","91.645","0.003","117.312","0.003","4508.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H135.22 Ge9 K3 N13.4 O18 Zn -","- C56 H135.164 Ge9 K3 N13.388 O18 Zn -","- C112 H270.328 Ge18 K6 N26.776 O36 Zn2 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0793","0.0509","","","0.121","0.1374","","","","","","1.022","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703994","11.554","0.002","14.14","0.003","18.988","0.004","89.02","0.03","77.37","0.03","87.11","0.03","3023.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H99 K2 N13 O12 Zn5 -","- C32 H99 K2 N13 O12 Zn5 -","- C64 H198 K4 N26 O24 Zn10 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.034","0.0267","","","0.0613","0.0668","","","","","","1.104","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703995","10.191","0.0002","16.1458","0.0003","32.8773","0.0009","90","","90","","90","","5409.7","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H45 K N2 O6 -","- C22 H45 K N2 O6 -","- C176 H360 K8 N16 O48 -","8","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0422","0.0353","","","0.0939","0.0987","","","","","","1.021","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703996","8.2136","0.0008","9.9605","0.0009","15.7811","0.0012","76.15","0.002","79.874","0.003","71.854","0.001","1184","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl Ir N O3 -","- C27 H27 Cl Ir N O3 -","- C54 H54 Cl2 Ir2 N2 O6 -","2","1","","Liu, Cong; Liu, Xicheng; Ge, Xingxing; Wang, Qinghui; Zhang, Lei; Shang, Wenjing; Zhang, Yue; Yuan, Xiang Ai; Tian, Laijin; Liu, Zhe; You, Jinmao","Fluorescent iridium(iii) coumarin-salicylaldehyde Schiff base compounds as lysosome-targeted antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5988","5998","10.1039/d0dt00627k","","","0.71073","MoKα","","0.0584","0.0492","","","0.1306","0.1378","","","","","","1.052","","","","has coordinates","252807","2020-10-21","18:00:00",""
"7703997","13.4707","0.0011","19.1603","0.0016","10.0964","0.0009","90","","104.571","0.002","90","","2522.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl F3 Ir N O3 -","- C27 H24 Cl F3 Ir N O3 -","- C108 H96 Cl4 F12 Ir4 N4 O12 -","4","1","","Liu, Cong; Liu, Xicheng; Ge, Xingxing; Wang, Qinghui; Zhang, Lei; Shang, Wenjing; Zhang, Yue; Yuan, Xiang Ai; Tian, Laijin; Liu, Zhe; You, Jinmao","Fluorescent iridium(iii) coumarin-salicylaldehyde Schiff base compounds as lysosome-targeted antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5988","5998","10.1039/d0dt00627k","","","0.71073","MoKα","","0.0357","0.0253","","","0.0564","0.0599","","","","","","1.058","","","","has coordinates","252807","2020-10-21","18:00:00",""
"7703998","14.7064","0.0006","14.7064","0.0006","14.7064","0.0006","90","","90","","90","","3180.7","0.2","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag2 Ba6 Mn S16 Sn4 -","- Ag1.9998 Ba6 Mn0.9999 S16 Sn4 -","- Ag7.9992 Ba24 Mn3.9996 S64 Sn16 -","4","0.0833333","","Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming","Non-centrosymmetric sulfides A<sub>2</sub>Ba<sub>6</sub>MnSn<sub>4</sub>S<sub>16</sub> (A = Li, Ag): syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5914","5920","10.1039/d0dt00894j","","","0.71073","MoKα","","0.0093","0.0093","","","0.0232","0.0232","","","","","","1.023","","","","has coordinates","252823","2020-10-21","18:00:00",""
"7703999","14.608","0.0005","14.608","0.0005","14.608","0.0005","90","","90","","90","","3117.25","0.18","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ba6 Li2 Mn S16 Sn4 -","- Ba6 Li2.04 Mn0.969 S16 Sn4 -","- Ba24 Li8.16 Mn3.876 S64 Sn16 -","4","0.0833333","","Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming","Non-centrosymmetric sulfides A<sub>2</sub>Ba<sub>6</sub>MnSn<sub>4</sub>S<sub>16</sub> (A = Li, Ag): syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5914","5920","10.1039/d0dt00894j","","","0.71073","MoKα","","0.0122","0.0121","","","0.0279","0.028","","","","","","1.014","","","","has coordinates,has disorder","252823","2020-10-21","18:00:00",""
"7704000","9.8575","0.0005","18.2757","0.0008","19.2762","0.0009","90","","96.23","0.002","90","","3452.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 F3 N2 O5 P Ru S -","- C37 H32 F3 N2 O5 P Ru S -","- C148 H128 F12 N8 O20 P4 Ru4 S4 -","4","1","","Franco Machado, João; Machuqueiro, Miguel; Marques, Fernanda; Robalo, M. Paula; Piedade, M Fátima M; Garcia, M. Helena; Correia, João D G; Morais, Tânia S","Novel ""ruthenium cyclopentadienyl""-peptide conjugate complexes against human FGFR(+) breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5974","5987","10.1039/d0dt00955e","","","0.71073","MoKα","","0.0423","0.0296","","","0.0642","0.0689","","","","","","1.015","","","","has coordinates","252821","2020-10-21","18:00:00",""
"7704001","10.5328","0.0008","12.322","0.0008","24.8165","0.0018","90","","95.282","0.004","90","","3207.1","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 F3 N2 O5 P Ru S -","- C35 H28 F3 N2 O5 P Ru S -","- C140 H112 F12 N8 O20 P4 Ru4 S4 -","4","1","","Franco Machado, João; Machuqueiro, Miguel; Marques, Fernanda; Robalo, M. Paula; Piedade, M Fátima M; Garcia, M. Helena; Correia, João D G; Morais, Tânia S","Novel ""ruthenium cyclopentadienyl""-peptide conjugate complexes against human FGFR(+) breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5974","5987","10.1039/d0dt00955e","","","0.71073","MoKα","","0.0499","0.0347","","","0.0738","0.0802","","","","","","1.014","","","","has coordinates","252821","2020-10-21","18:00:00",""
"7704002","8.4643","0.0004","8.9107","0.0004","9.5","0.0005","114.489","0.001","106.946","0.002","90.151","0.002","617.44","0.05","100","","100","","","","","","","","","5","P 1","P 1","1","","4-bromo-octadecaborane","","- C12 H34 B18 Br0.94 Cl0.2 -","- C12 H34 B18 Br0.941 Cl0.1983 -","- C12 H34 B18 Br0.941 Cl0.1983 -","1","1","","Anderson, Kierstyn P.; Waddington, Mary A.; Balaich, Gary J.; Stauber, Julia M.; Bernier, Nicholas A.; Caram, Justin R.; Djurovich, Peter I.; Spokoyny, Alexander M.","A molecular boron cluster-based chromophore with dual emission.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16245","16251","10.1039/d0dt00826e","","","0.71073","MoKα","","0.0362","0.033","","","0.0804","0.0817","","","","","","1.067","","","","has coordinates,has disorder","260777","2021-01-07","06:28:13",""
"7704003","11.154","0.01","16.19","0.014","12.03","0.011","90","","103.248","0.012","90","","2115","3","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 B2 Co N12 S6 W2 -","- C30 H44 B2 Co N12 S6 W2 -","- C60 H88 B4 Co2 N24 S12 W4 -","2","0.5","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","","0.71073","MoKα","","0.059","0.0331","","","0.0609","0.0684","","","","","","1.021","","","","has coordinates","252761","2020-10-21","18:00:00",""
"7704004","11.3792","0.0001","14.4818","0.0002","31.9209","0.0003","90","","90.496","0.001","90","","5260.09","0.1","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H67 B2 Co N14 S6 W2 -","- C40 H67 B2 Co N14 S6 W2 -","- C160 H268 B8 Co4 N56 S24 W8 -","4","1","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","","1.54178","CuKα","","0.0471","0.0382","","","0.0976","0.1018","","","","","","1.039","","","","has coordinates","252761","2020-10-21","18:00:00",""
"7704005","12.7233","0.0014","15.7004","0.0018","29.118","0.003","90","","93.167","0.002","90","","5807.8","1.1","296.15","","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H70 B2 Cl Co2 N15 S6 W2 -","- C42 H70 B2 Cl Co2 N15 S6 W2 -","- C168 H280 B8 Cl4 Co8 N60 S24 W8 -","4","0.5","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","x-ray","0.71073","MoKα","","0.046","0.0324","","","0.0733","0.0812","","","","","","1.07","","","","has coordinates,has disorder","252761","2020-10-21","18:00:00",""
"7704006","12.638","0.012","15.62","0.015","29.22","0.03","90","","92.876","0.013","90","","5761","10","296.15","","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H70 B2 Cl0.5 Co1.5 N15 S6 W2 -","- C42 H70 B2 Cl0.5 Co1.5 N15 S6 W2 -","- C168 H280 B8 Cl2 Co6 N60 S24 W8 -","4","0.5","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","","0.71073","MoKα","","0.0788","0.0436","","","0.0877","0.0999","","","","","","1.025","","","","has coordinates,has disorder","252761","2020-10-21","18:00:00",""
"7704007","11.9709","0.0003","17.0437","0.0003","20.5403","0.0004","112.024","0.002","95.703","0.002","100.406","0.002","3756.37","0.16","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H89 B2 Cl2 Co4.5 N17 O6 S6 W2 -","- C49 H89 B2 Cl2 Co4.5 N17 O6 S6 W2 -","- C98 H178 B4 Cl4 Co9 N34 O12 S12 W4 -","2","1","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","x-ray","1.54178","CuKα","","0.0742","0.0608","","","0.1689","0.1794","","","","","","1.092","","","","has coordinates,has disorder","252761","2020-10-21","18:00:00",""
"7704008","9.968","0.0005","13.4495","0.0006","21.0791","0.001","90","","90","","90","","2826","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 Al F36 Li O4.02 -","- C16 Al F36 Li O4.0202 -","- C64 Al4 F144 Li4 O16.0808 -","4","1","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0283","0.028","","","0.0737","0.0739","","","","","","1.156","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704009","9.6213","0.0007","10.4768","0.0007","16.8127","0.0012","81.079","0.004","73.385","0.003","62.701","0.003","1442.53","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 Al F36 O4 Rb -","- C16 Al F36 O4 Rb -","- C32 Al2 F72 O8 Rb2 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0223","0.0217","","","0.0477","0.0478","","","","","","1.036","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704010","17.1845","0.0018","17.4964","0.0018","18.6544","0.0019","105.94","0.002","105.366","0.002","113.601","0.002","4472.3","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 Al1.5 Cs1.5 F54 O6 -","- C24 Al1.5 Cs1.5 F54 O6 -","- C96 Al6 Cs6 F216 O24 -","4","4","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0804","0.0462","","","0.1071","0.1304","","","","","","1.043","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704011","23.8816","0.0011","12.9259","0.0006","20.6284","0.001","90","","115.546","0.002","90","","5745.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Al F36 K O4 -","- C16 Al F36 K O4 -","- C128 Al8 F288 K8 O32 -","8","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0389","0.033","","","0.082","0.0847","","","","","","1.034","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704012","13.641","0.0008","10.1222","0.0006","21.3566","0.0013","90","","89.957","0.003","90","","2948.9","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Al F36 Na O4 -","- C16 Al F36 Na O4 -","- C64 Al4 F144 Na4 O16 -","4","1","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0463","0.0378","","","0.1025","0.1115","","","","","","1.052","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704013","9.6278","0.0004","10.5021","0.0004","16.867","0.0004","81.237","0.003","73.421","0.003","62.778","0.004","1453.04","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H4 Al F36 N O4 -","- C16 H4 Al F36 N O4 -","- C32 H8 Al2 F72 N2 O8 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0564","0.0557","","","0.1498","0.1506","","","","","","1.056","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704014","10.5661","0.0005","10.7463","0.0004","22.2844","0.0008","82.6","0.003","87.1","0.003","61.46","0.004","2204.15","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 Ag0.04 Al2 Cu0.95 F55 O6 -","- C24 Ag0.0446 Al2 Cu0.9526 F55 O6 -","- C48 Ag0.0892 Al4 Cu1.9052 F110 O12 -","2","1","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0853","0.0719","","","0.1946","0.2131","","","","","","1.026","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704015","9.645","0.0004","10.6675","0.0005","17.0803","0.0008","82.791","0.004","73.622","0.004","63.24","0.004","1505.47","0.13","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H5 Al F36 N2 O4 -","- C16 H5.0199 Al F36 N2 O4 -","- C32 H10.0398 Al2 F72 N4 O8 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0454","0.0452","","","0.1194","0.1198","","","","","","1.034","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704016","17.4972","0.0008","17.5074","0.0007","20.376","0.0009","91.583","0.002","91.488","0.002","105.979","0.002","5994.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H7 Al F36 N2 O4 -","- C16 H7 Al F36 N2 O4 -","- C128 H56 Al8 F288 N16 O32 -","8","4","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0549","0.0495","","","0.129","0.1336","","","","","","1.033","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704017","21.7362","0.0002","31.2247","0.0002","33.096","0.0003","90","","107.891","0.001","90","","21376.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H8 Al Cs F36 O4 -","- C22.9999 H8 Al Cs0.99995 F35.9998 O3.99998 -","- C551.998 H192 Al24 Cs23.9988 F863.996 O95.9996 -","24","6","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0613","0.0562","","","0.1468","0.1541","","","","","","1.04","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704018","13.1004","0.0006","15.7386","0.0007","17.8971","0.0008","65.224","0.003","70.191","0.003","79.065","0.004","3147.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H156 N16 O10 Sn4 -","- C120 H156 N16 O10 Sn4 -","- C120 H156 N16 O10 Sn4 -","1","0.5","","Chandra, Anirban; Mebs, Stefan; Kundu, Subrata; Kuhlmann, Uwe; Hildebrandt, Peter; Dau, Holger; Ray, Kallol","Catalytic dioxygen reduction mediated by a tetranuclear cobalt complex supported on a stannoxane core.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6065","6073","10.1039/d0dt00475h","","","0.71073","MoKα","","0.0825","0.0482","","","0.0859","0.0929","","","","","","0.994","","","","has coordinates,has disorder","252811","2020-10-21","18:00:00",""
"7704019","5.0235","0.0003","27.1171","0.0019","6.1914","0.0004","90","","92.475","0.002","90","","842.62","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N Ni0.5 O S4 -","- C5 H5 N Ni0.5 O S4 -","- C20 H20 N4 Ni2 O4 S16 -","4","1","","Hachem, Hadi; Bellec, Nathalie; Fourmigué, Marc; Lorcy, Dominique","Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6056","6064","10.1039/d0dt00960a","","x-ray","0.71073","MoKα","","0.0563","0.0395","","","0.0888","0.094","","","","","","1.037","","","","has coordinates","252801","2020-10-21","18:00:00",""
"7704020","4.9715","0.0006","27.272","0.003","6.172","0.0008","90","","91.722","0.005","90","","836.44","0.17","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Au N2 O2 S8 -","- C10 H10 Au N2 O2 S8 -","- C20 H20 Au2 N4 O4 S16 -","2","0.5","","Hachem, Hadi; Bellec, Nathalie; Fourmigué, Marc; Lorcy, Dominique","Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6056","6064","10.1039/d0dt00960a","","x-ray","0.71073","MoKα","","0.056","0.0499","","","0.0978","0.0993","","","","","","1.468","","","","has coordinates","252801","2020-10-21","18:00:00",""
"7704021","26.407","0.002","18.2569","0.0015","23.1623","0.0019","90","","98.355","0.003","90","","11048.3","1.5","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","[Ph4P][Au(HOEt-tzdt)2]","","- C34 H30 Au N2 O2 P S8 -","- C34 H30 Au N2 O2 P S8 -","- C408 H360 Au12 N24 O24 P12 S96 -","12","3","","Hachem, Hadi; Bellec, Nathalie; Fourmigué, Marc; Lorcy, Dominique","Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6056","6064","10.1039/d0dt00960a","","x-ray","0.71073","MoKα","","0.1269","0.067","","","0.15","0.1931","","","","","","1.063","","","","has coordinates,has disorder","252801","2020-10-21","18:00:00",""
"7704022","9.4133","0.0006","15.4886","0.0009","13.6365","0.0008","90","","104.721","0.002","90","","1922.9","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9aprf","","","- C27 H21 Fe N O -","- C27 H21 Fe N O -","- C108 H84 Fe4 N4 O4 -","4","1","","Gayen, Firdaus Rahaman; Ali, Abdul Aziz; Bora, Debashree; Roy, Saptarshi; Saha, Supriya; Saikia, Lakshi; Goswamee, Rajib Lochan; Saha, Biswajit","A ferrocene functionalized Schiff base containing Cu(ii) complex: synthesis, characterization and parts-per-million level catalysis for azide alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6578","6586","10.1039/d0dt00915f","","","0.71073","MoKα","","0.0407","0.0341","","","0.0875","0.0922","","","","","","1.08","","","","has coordinates","252798","2020-10-21","18:00:00",""
"7704023","10.0021","0.0004","12.9594","0.0005","15.1607","0.0005","90","","94.303","0.001","90","","1959.61","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3sep","","","- C54 H40 Cu Fe2 N2 O2 -","- C54 H40 Cu Fe2 N2 O2 -","- C108 H80 Cu2 Fe4 N4 O4 -","2","0.5","","Gayen, Firdaus Rahaman; Ali, Abdul Aziz; Bora, Debashree; Roy, Saptarshi; Saha, Supriya; Saikia, Lakshi; Goswamee, Rajib Lochan; Saha, Biswajit","A ferrocene functionalized Schiff base containing Cu(ii) complex: synthesis, characterization and parts-per-million level catalysis for azide alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6578","6586","10.1039/d0dt00915f","","","0.71073","MoKα","","0.0684","0.0433","","","0.1092","0.1305","","","","","","1.073","","","","has coordinates","252798","2020-10-21","18:00:00",""
"7704024","11.4659","0.0003","11.7021","0.0003","21.3015","0.0006","79.168","0.002","79.681","0.002","76.855","0.002","2705.71","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 N6 Si4 Sm2 -","- C48 H84 N6 Si4 Sm2 -","- C96 H168 N12 Si8 Sm4 -","2","1","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","0.71073","MoKα","","0.046","0.0395","","","0.0823","0.085","","","","","","1.116","","","","has coordinates","260786","2021-01-07","06:30:30",""
"7704025","11.4426","0.0005","11.6392","0.0005","21.2371","0.0009","79.337","0.004","79.682","0.004","77.099","0.004","2681.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Eu2 N6 Si4 -","- C48 H84 Eu2 N6 Si4 -","- C96 H168 Eu4 N12 Si8 -","2","1","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","0.71073","MoKα","","0.1028","0.0585","","","0.1056","0.1237","","","","","","1.029","","","","has coordinates","260786","2021-01-07","06:30:30",""
"7704026","13.7438","0.0004","20.1221","0.0006","17.6945","0.0004","90","","90.855","0.002","90","","4892.9","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H74 Eu2 N5 O Si2 -","- C46 H74 Eu2 N5 O Si2 -","- C184 H296 Eu8 N20 O4 Si8 -","4","0.5","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","0.71073","MoKα","","0.0515","0.0407","","","0.0939","0.0998","","","","","","1.097","","","","has coordinates","260786","2021-01-07","06:30:30",""
"7704027","17.947","0.0008","21.5868","0.0006","23.2649","0.0009","90","","108.706","0.004","90","","8537.1","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H64 N4 O2 Sm2 -","- C47 H64 N4 O2 Sm2 -","- C376 H512 N32 O16 Sm16 -","8","1","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","1.54184","CuKα","","0.0831","0.0659","","","0.1888","0.203","","","","","","1.116","","","","has coordinates,has disorder","260786","2021-01-07","06:30:30",""
"7704028","29.6681","0.0015","27.6756","0.0017","14.3832","0.0007","90","","92.371","0.002","90","","11799.7","1.1","278","2","278","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C101 H69 N15 O36 Zn7 -","- C101 H69 N15 O36 Zn7 -","- C404 H276 N60 O144 Zn28 -","4","1","","Li, Jingyang; He, Ying; Wang, Li; Pan, Qinhe; Song, Zhiguang; Shi, Xiaodong","Design and synthesis of photoluminescent active interpenetrating metal-organic frameworks using N-2-aryl-1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5429","5433","10.1039/d0dt00933d","","","0.71073","MoKα","","0.1539","0.0935","","","0.2412","0.2665","","","","","","1.089","","","","has coordinates","252753","2020-10-21","18:00:00",""
"7704029","24.0057","0.0012","24.6946","0.0013","8.5544","0.0004","90","","90","","90","","5071.1","0.4","299","2","299","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H16 N3 O5 Zn -","- C23 H16 N3 O5 Zn -","- C184 H128 N24 O40 Zn8 -","8","0.5","","Li, Jingyang; He, Ying; Wang, Li; Pan, Qinhe; Song, Zhiguang; Shi, Xiaodong","Design and synthesis of photoluminescent active interpenetrating metal-organic frameworks using N-2-aryl-1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5429","5433","10.1039/d0dt00933d","","","0.71073","MoKα","","0.0484","0.0433","","","0.1403","0.1427","","","","","","1.224","","","","has coordinates","252753","2020-10-21","18:00:00",""
"7704030","10.5305","0.0005","11.0781","0.0005","12.767","0.0006","103.931","0.002","109.833","0.002","96.579","0.002","1328.03","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Eu N3 O12 -","- C21 H27 Eu N3 O12 -","- C42 H54 Eu2 N6 O24 -","2","1","","De Bellis, Jacopo; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell'Amico, Daniela; Armelao, Lidia","Single-crystal-to-single-crystal post-synthetic modifications of three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their luminescence and thermometric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6030","6042","10.1039/d0dt00449a","","","0.71073","MoKα","","0.0312","0.0247","","","0.0608","0.0632","","","","","","1.047","","","","has coordinates,has disorder","252816","2020-10-21","18:00:00",""
"7704031","10.6393","0.0013","11.157","0.0013","11.7912","0.0015","97.296","0.003","111.893","0.003","101.042","0.003","1244","0.3","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cl3 Gd N2 O11 -","- C19 H21 Cl3 Gd N2 O11 -","- C38 H42 Cl6 Gd2 N4 O22 -","2","1","","De Bellis, Jacopo; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell'Amico, Daniela; Armelao, Lidia","Single-crystal-to-single-crystal post-synthetic modifications of three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their luminescence and thermometric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6030","6042","10.1039/d0dt00449a","","","0.71073","MoKα","","0.0592","0.0508","","","0.1223","0.1306","","","","","","1.251","","","","has coordinates,has disorder","252816","2020-10-21","18:00:00",""
"7704032","12.226","0.0005","14.8722","0.0006","16.0462","0.0006","93.197","0.001","91.883","0.001","113.851","0.001","2659.41","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 Cl3 Gd2 N12 O19 -","- C43 H39 Cl3 Gd2 N12 O19 -","- C86 H78 Cl6 Gd4 N24 O38 -","2","1","","De Bellis, Jacopo; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell'Amico, Daniela; Armelao, Lidia","Single-crystal-to-single-crystal post-synthetic modifications of three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their luminescence and thermometric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6030","6042","10.1039/d0dt00449a","","","0.71073","MoKα","","0.0442","0.031","","","0.0817","0.0924","","","","","","1.062","","","","has coordinates,has disorder","252816","2020-10-21","18:00:00",""
"7704033","17.54","0.005","14.333","0.003","12.987","0.003","90","","108.92","0.03","90","","3088.5","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B2 F8 N8 O8 Pd -","- C62 H64 B2 F8 N8 O8 Pd -","- C124 H128 B4 F16 N16 O16 Pd2 -","2","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.68","synchrotron","","0.0757","0.0677","","","0.1897","0.1965","","","","","","1.088","","","","has coordinates","252780","2020-10-21","18:00:00",""
"7704034","14.451","0.003","19.15","0.004","23.82","0.005","96.52","0.03","106.07","0.03","90.14","0.03","6289","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C184 H188 F60 N26 O40 P10 Pd6 -","- C184 H184 F54 N26 O40 P9 Pd6 -","- C184 H184 F54 N26 O40 P9 Pd6 -","1","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.0534","0.0506","","","0.1402","0.1425","","","","","","1.01","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704035","13.814","0.003","16.319","0.003","18.37","0.004","68.07","0.03","88.03","0.03","71.71","0.03","3631.3","1.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H104 F24 N14 O24 P4 Pd3 S2 -","- C96 H104 F24 N14 O24 P4 Pd3 S2 -","- C96 H104 F24 N14 O24 P4 Pd3 S2 -","1","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.65","synchrotron","","0.0577","0.0538","","","0.1708","0.173","","","","","","1.215","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704036","17.463","0.004","42.738","0.009","9.117","0.0018","90","","93.09","0.03","90","","6794","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C92 H92 F36 N12 O16 P6 Pd3 -","- C92 H92 F36 N12 O16 P6 Pd3 -","- C184 H184 F72 N24 O32 P12 Pd6 -","2","0.25","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1302","0.1115","","","0.3264","0.334","","","","","","2.123","","","","has coordinates","252780","2020-10-21","18:00:00",""
"7704037","9.315","0.0019","22.198","0.004","28.653","0.006","90","","92.76","0.03","90","","5918","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 Cl6 N12 O42 Pd3 S2 -","- C96 H104 Cl6.142 N12 O42.568 Pd3 S2 -","- C192 H208 Cl12.284 N24 O85.136 Pd6 S4 -","2","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1274","0.1057","","","0.3047","0.3159","","","","","","2.067","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704038","41.454","0.003","16.3397","0.0012","19.2485","0.0013","90","","95.416","0.001","90","","12979.7","1.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H138 B4 F16 N20 O30 Pd3 -","- C110 H134 B4 F16 N20 O30 Pd3 -","- C440 H536 B16 F64 N80 O120 Pd12 -","4","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.71073","MoKα","","0.0926","0.0659","","","0.1891","0.2157","","","","","","1.062","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704039","14.016","0.005","16.03","0.006","18.468","0.007","66.969","0.002","86.217","0.003","70.922","0.003","3600","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H128 Cl4 N14 O42 Pd3 S4 -","- C112 H128 Cl4 N14 O42 Pd3 S4 -","- C112 H128 Cl4 N14 O42 Pd3 S4 -","1","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.71073","MoKα","","0.2143","0.0746","","","0.1364","0.1824","","","","","","0.972","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704040","24.117","0.005","16.548","0.003","37.143","0.007","90","","101.83","0.03","90","","14508","5","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C106 H112 N18 O36 Pd3 S -","- C106 H110 N18 O36 Pd3 S -","- C424 H440 N72 O144 Pd12 S4 -","4","1","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1446","0.0944","","","0.2715","0.3063","","","","","","1.012","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704041","14.393","0.003","19.113","0.004","23.51","0.005","98.23","0.03","106.16","0.03","90.4","0.03","6140","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H101 Cl4 N15 O40 Pd3 -","- C94.548 H99 Cl5 N14 O41 Pd3 -","- C189.096 H198 Cl10 N28 O82 Pd6 -","2","1","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1568","0.1065","","","0.2957","0.3226","","","","","","1.106","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704042","15.158","0.003","11.271","0.002","20.489","0.004","90","","95.62","0.03","90","","3483.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 N3 O4 Pd S2 -","- C37 H41 N3 O4 Pd S2 -","- C148 H164 N12 O16 Pd4 S8 -","4","1","","Scattolin, Thomas; Santo, Claudio; Demitri, Nicola; Canovese, Luciano; Visentin, Fabiano","Chemoselective oxidative addition of vinyl sulfones mediated by palladium complexes bearing picolyl-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5684","5694","10.1039/d0dt01144d","","","0.7","Synchrotron","","0.0496","0.0369","","","0.095","0.1023","","","","","","1.021","","","","has coordinates","252765","2020-10-21","18:00:00",""
"7704043","28.638","0.001","28.638","0.001","13.096","0.001","90","","90","","90","","10740.5","1","293","2","293","2","","","","","","","synthesis as described","7","I -4","I -4","82","cisdppeLAP","","","- C53 H50 F6 N2 O3.5 P3 Ru -","- C53 H50 F6 N2 O3.5 P3 Ru -","- C424 H400 F48 N16 O28 P24 Ru8 -","8","1","","Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16193","16203","10.1039/d0dt01091j","","x-ray","0.71073","MoKα","","0.0701","0.0449","","","0.1071","0.1142","","","","","","0.935","","","","has coordinates","260785","2021-01-07","06:30:17",""
"7704044","11.786","0.0002","12.8648","0.0002","17.3677","0.0003","94.521","0.001","100.421","0.001","92.807","0.001","2576.5","0.07","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H51 Cl2 F6 N2 O3 P3 Ru -","- C54 H51 Cl2 F6 N2 O3 P3 Ru -","- C108 H102 Cl4 F12 N4 O6 P6 Ru2 -","2","1","","Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16193","16203","10.1039/d0dt01091j","","","0.71073","MoKα","","0.0417","0.0346","","","0.0835","0.0887","","","","","","1.024","","","","has coordinates,has disorder","260785","2021-01-07","06:30:18",""
"7704045","13.7656","0.0003","14.7135","0.0003","23.3155","0.0005","90","","91.892","0.001","90","","4719.75","0.17","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 Cl2 F6 N2 O3 P3 Ru -","- C49 H43 Cl2 F6 N2 O3 P3 Ru -","- C196 H172 Cl8 F24 N8 O12 P12 Ru4 -","4","1","","Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16193","16203","10.1039/d0dt01091j","","","0.71073","MoKα","","0.0571","0.0469","","","0.133","0.1417","","","","","","1.035","","","","has coordinates,has disorder","260785","2021-01-07","06:30:18",""
"7704046","8.8832","0.0003","12.699","0.0005","21.7752","0.0008","105.676","0.001","95.872","0.001","94.301","0.001","2339.09","0.15","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl2 F2 N4 Zn -","- C23 H20 Cl2 F2 N4 Zn -","- C92 H80 Cl8 F8 N16 Zn4 -","4","2","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0952","0.0618","","","0.094","0.1038","","","","","","1.111","","","","has coordinates","260773","2021-01-07","06:26:46",""
"7704047","11.5217","0.0006","32.6571","0.0016","13.8662","0.0007","90","","98.732","0.002","90","","5156.9","0.5","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 F12 Fe N12 P2 -","- C50 H40 F12 Fe N12 P2 -","- C200 H160 F48 Fe4 N48 P8 -","4","1","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0938","0.0717","","","0.1487","0.1611","","","","","","1.058","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704048","7.7284","0.0007","14.8601","0.0013","22.4323","0.0019","90","","97.628","0.004","90","","2553.4","0.4","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 N6 Zn -","- C25 H20 Cl2 N6 Zn -","- C100 H80 Cl8 N24 Zn4 -","4","1","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0998","0.0656","","","0.138","0.1495","","","","","","1.219","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704049","12.9613","0.0007","14.5938","0.0006","15.1144","0.0007","92.855","0.002","110.335","0.002","102.818","0.002","2588.7","0.2","151","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18.5 Br2 Cl2 N3.5 Zn -","- C22 H18.5 Br2 Cl2 N3.5 Zn -","- C88 H74 Br8 Cl8 N14 Zn4 -","4","2","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.1361","0.0708","","","0.1138","0.1345","","","","","","1.037","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704050","17.9244","0.0007","17.557","0.0007","15.988","0.0006","90","","102.194","0.002","90","","4917.9","0.3","150","2","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H37 Br4 F12 Fe N7 P2 -","- C44 H37 Br4 F12 Fe N7 P2 -","- C176 H148 Br16 F48 Fe4 N28 P8 -","4","1","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0541","0.0356","","","0.0547","0.059","","","","","","1.048","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704051","7.8687","0.0002","7.8687","0.0002","12.8302","0.0003","90","","90","","120","","687.97","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Ni -","- Ce3 Cs2 F16 Ni -","- Ce6 Cs4 F32 Ni2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0236","0.0231","","","0.0448","0.045","","","","","","1.148","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704052","7.8769","0.0002","7.8769","0.0002","12.9013","0.0003","90","","90","","120","","693.23","0.03","304","2","304.1","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Zn -","- Ce3 Cs2 F16 Zn -","- Ce6 Cs4 F32 Zn2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0116","0.0113","","","0.0236","0.0237","","","","","","1.155","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704053","7.8823","0.0002","7.8823","0.0002","12.9303","0.0003","90","","90","","120","","695.74","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Co Cs2 F16 -","- Ce3 Co Cs2 F16 -","- Ce6 Co2 Cs4 F32 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0114","0.0113","","","0.0236","0.0236","","","","","","1.22","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704054","9.6715","0.0002","9.6715","0.0002","12.7479","0.0003","90","","90","","120","","1032.66","0.04","303","2","303","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al Ce6 F30 Na3 -","- Al Ce6 F30 Na3 -","- Al2 Ce12 F60 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0098","0.0097","","","0.028","0.0281","","","","","","1.082","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704055","9.7142","0.0003","9.7142","0.0003","12.798","0.0005","90","","90","","120","","1045.89","0.06","300","2","300.02","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 Cr F30 Na3 -","- Ce6 Cr F30 Na3 -","- Ce12 Cr2 F60 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0168","0.0141","","","0.0291","0.0299","","","","","","1.187","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704056","9.7126","0.0003","9.7126","0.0003","12.7972","0.0004","90","","90","","120","","1045.48","0.06","300","2","300","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 F30 Ga Na3 -","- Ce6 F30 Ga Na3 -","- Ce12 F60 Ga2 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0113","0.0112","","","0.0245","0.0246","","","","","","1.058","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704057","9.7288","0.0002","9.7288","0.0002","12.8247","0.0003","90","","90","","120","","1051.23","0.04","300","2","300.02","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 F30 Fe Na3 -","- Ce6 F30 Fe Na3 -","- Ce12 F60 Fe2 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0091","0.009","","","0.0206","0.0206","","","","","","1.156","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704058","7.9014","0.0002","7.9014","0.0002","13.0931","0.0004","90","","90","","120","","707.92","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Mn -","- Ce3 Cs2 F16 Mn -","- Ce6 Cs4 F32 Mn2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0141","0.013","","","0.0295","0.0299","","","","","","1.09","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704059","13.6466","0.0011","14.0282","0.0007","16.2009","0.0009","91.859","0.004","96.471","0.005","117.397","0.007","2723.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H72 N7 O20.5 P2 Zn2 -","- C43 H46 N7 O8 P2 Zn2 -","- C86 H92 N14 O16 P4 Zn4 -","2","1","","Torres-Huerta, Aaron; Chan, Tiffany G.; White, Andrew J. P.; Vilar, Ramon","Molecular recognition of bisphosphonate-based drugs by di-zinc receptors in aqueous solution and on gold nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5939","5948","10.1039/d0dt00930j","","","1.54184","CuKα","","0.0687","0.0465","","","0.107","0.1214","","","","","","0.971","","","","has coordinates","252819","2020-10-21","18:00:00",""
"7704060","12.3489","0.0003","13.7028","0.0005","18.1556","0.0008","90.414","0.003","93.3","0.003","100.305","0.003","3017.14","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H79 B F4 N8 O17.5 P2 Zn2 -","- C48.5 H53 B F4 N8 O16 P2 Zn2 -","- C97 H106 B2 F8 N16 O32 P4 Zn4 -","2","1","","Torres-Huerta, Aaron; Chan, Tiffany G.; White, Andrew J. P.; Vilar, Ramon","Molecular recognition of bisphosphonate-based drugs by di-zinc receptors in aqueous solution and on gold nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5939","5948","10.1039/d0dt00930j","","","1.54184","CuKα","","0.0769","0.0567","","","0.1567","0.1796","","","","","","1.025","","","","has coordinates,has disorder","252819","2020-10-21","18:00:00",""
"7704061","20.5298","0.0008","15.796","0.0006","16.5926","0.0006","90","","90","","90","","5380.8","0.4","100.04","","100.04","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H45 I N3 O4.5 -","- C24 H45 I N3 O4.5 -","- C192 H360 I8 N24 O36 -","8","1","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.0636","0.0355","","","0.0814","0.0932","","","","","","1.02","","","","has coordinates","260783","2021-01-07","06:30:01",""
"7704062","7.9117","0.0004","15.8043","0.0007","21.3583","0.001","74.469","0.001","80.475","0.002","88.799","0.002","2536.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H43 I N2 O4 -","- C22 H43 I N2 O4 -","- C88 H172 I4 N8 O16 -","4","2","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.0616","0.0437","","","0.1028","0.1123","","","","","","1.139","","","","has coordinates","260783","2021-01-07","06:30:01",""
"7704063","21.1476","0.0014","8.1712","0.0005","17.1899","0.0011","90","","100.901","0.002","90","","2916.8","0.3","296.15","","296.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C26 H39 F3 Ir N O5 S2 -","- C26 H39 F3 Ir N O5 S2 -","- C104 H156 F12 Ir4 N4 O20 S8 -","4","2","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.028","0.0272","","","0.0597","0.0601","","","","","","1.08","","","","has coordinates,has disorder","260783","2021-01-07","06:30:01",""
"7704064","9.2923","0.0019","16.814","0.003","9.4272","0.0019","90","","114.86","0.03","90","","1336.4","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N4 O5 -","- C28 H34 N4 O5 -","- C56 H68 N8 O10 -","2","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0559","0.0485","","","0.1192","0.1274","","","","","","1.051","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704065","14.548","0.003","11.382","0.002","14.751","0.003","90","","103.41","0.03","90","","2376","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N4 O5 -","- C25 H30 N4 O5 -","- C100 H120 N16 O20 -","4","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.077","0.0591","","","0.1473","0.1638","","","","","","1.036","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704066","8.338","0.0017","27.317","0.006","16.519","0.003","90","","94.12","0.03","90","","3752.8","1.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","L6 dimeric Mn complex","","","- C32 H36 Cl4 F3 Mn0.5 N4 O8 -","- C32 H34 Cl4 F3 Mn0.5 N4 O8 -","- C128 H136 Cl16 F12 Mn2 N16 O32 -","4","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.1237","0.1022","","","0.27","0.2892","","","","","","1.065","","","","has coordinates,has disorder","252815","2020-10-21","18:00:00",""
"7704067","13.127","0.003","16.744","0.003","25.548","0.005","90","","90","","90","","5615","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H29 F3 Mn0 N4 O6 -","- C30 H29 F3 N4 O6 -","- C240 H232 F24 N32 O48 -","8","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0734","0.0425","","","0.0984","0.1079","","","","","","1.015","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704068","12.767","0.003","13.128","0.003","16.753","0.003","90","","98.22","0.03","90","","2779","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 F3 N4 O5 -","- C30 H29 F3 N4 O5 -","- C120 H116 F12 N16 O20 -","4","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0667","0.0517","","","0.1202","0.1299","","","","","","1.058","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704069","13.089","0.011","17.019","0.014","25.19","0.02","90","","90","","90","","5611","8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C240 H256 N32 O48 -","8","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","1.54178","CuKα","","0.154","0.0667","","","0.1242","0.1527","","","","","","0.976","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704070","10.7819","0.0004","15.5823","0.0004","16.9994","0.0005","81.532","0.002","87.046","0.003","83.092","0.003","2802.71","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H70 Cl6 O26 V6 W3 -","- C28 H70 Cl6 O26 V6 W3 -","- C56 H140 Cl12 O52 V12 W6 -","2","1","","Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Site-selective halogenation of mixed-valent vanadium oxide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16184","16192","10.1039/d0dt01077d","","x-ray","1.54184","CuKα","","0.128","0.1002","","","0.2861","0.3201","","","","","","1.082","","","","has coordinates,has disorder","260774","2021-01-07","06:27:05",""
"7704071","10.7617","0.0007","17.7653","0.0009","10.9667","0.0007","90","","107.866","0.007","90","","1995.6","0.2","223","0.1","223","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C24 H60 Cl O18 V6 -","- C24 H60 Cl0.994 O18.006 V6 -","- C48 H120 Cl1.988 O36.012 V12 -","2","0.25","","Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Site-selective halogenation of mixed-valent vanadium oxide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16184","16192","10.1039/d0dt01077d","","x-ray","1.54184","CuKα","","0.1006","0.0712","","","0.2043","0.2392","","","","","","1.04","","","","has coordinates,has disorder","260774","2021-01-07","06:27:16",""
"7704072","10.7375","0.0002","11.6187","0.0003","19.2768","0.0004","83.447","0.002","77.638","0.002","64.53","0.002","2120.16","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H60 F3 O21 S V6 -","- C25 H60 F3 O21 S V6 -","- C50 H120 F6 O42 S2 V12 -","2","1","","Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Site-selective halogenation of mixed-valent vanadium oxide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16184","16192","10.1039/d0dt01077d","","x-ray","1.54184","CuKα","","0.0817","0.0732","","","0.2077","0.2154","","","","","","1.044","","","","has coordinates,has disorder","260774","2021-01-07","06:27:28",""
"7704073","8.72446","0.00014","22.3339","0.0004","20.8612","0.0003","90","","90","","90","","4064.83","0.11","294","3","294","3","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C6 H12 N O6 P Zn -","- C6 H12 N O6 P Zn -","- C96 H192 N16 O96 P16 Zn16 -","16","1","","Huang, Lijuan; Wang, Lei; Zhao, Yan; Huang, Ling; Bi, Jian; Zou, Guohong; Lin, Zhien; Gao, Daojiang","Two amino acid-templated metal phosphates: surfactant-thermal synthesis, water stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5440","5444","10.1039/d0dt00966k","","x-ray","1.54184","CuKα","","0.0542","0.0517","","","0.1391","0.1422","","","","","","1.077","","","","has coordinates","252763","2020-10-21","18:00:00",""
"7704074","24.02326","0.00018","24.02326","0.00018","24.02326","0.00018","90","","90","","90","","13864.2","0.18","291","0.1","291","0.1","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C5 H16 F Ga4 N O21 P4 -","- F Ga4 O16 P4 -","- F24 Ga96 O384 P96 -","24","0.125","","Huang, Lijuan; Wang, Lei; Zhao, Yan; Huang, Ling; Bi, Jian; Zou, Guohong; Lin, Zhien; Gao, Daojiang","Two amino acid-templated metal phosphates: surfactant-thermal synthesis, water stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5440","5444","10.1039/d0dt00966k","","x-ray","1.54184","CuKα","","0.067","0.0652","","","0.1827","0.1855","","","","","","1.069","","","","has coordinates","252763","2020-10-21","18:00:00",""
"7704075","13.7115","0.0002","18.8612","0.0003","21.0299","0.0004","90","","108.308","0.002","90","","5163.36","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H36 Cl9 F6 Ir N5 P -","- C51 H36 Cl9 F6 Ir N5 P -","- C204 H144 Cl36 F24 Ir4 N20 P4 -","4","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","","0.71073","MoKα","","0.0384","0.0304","","","0.0697","0.0751","","","","","","1.043","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704076","30.2713","0.0006","15.7377","0.0002","31.0641","0.0006","90","","113.642","0.002","90","","13556.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H54 F6 Ir N9 O4.5 P -","- C82 H54 F6 Ir N9 O4.5 P -","- C656 H432 F48 Ir8 N72 O36 P8 -","8","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.0287","0.0266","","","0.0679","0.0691","","","","","","1.036","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704077","27.1016","0.0009","11.3994","0.0005","6.2796","0.0003","90","","90","","90","","1940.03","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","","0.71073","MoKα","","0.0513","0.0435","","","0.0898","0.0935","","","","","","1.058","","","","has coordinates","252790","2020-10-21","18:00:00",""
"7704078","17.5554","0.0002","20.8344","0.0003","21.1839","0.0004","61.714","0.002","86.958","0.001","82.312","0.001","6761.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80.88 H52.62 Cl0.38 F6 Ir N7 O0.25 P -","- C80.875 H52.625 Cl0.375 F6 Ir N7 O0.25 P -","- C323.5 H210.5 Cl1.5 F24 Ir4 N28 O P4 -","4","2","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.0651","0.056","","","0.1619","0.1687","","","","","","1.072","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704079","52.252","0.002","13.6314","0.0004","23.8081","0.0009","90","","120.633","0.005","90","","14591.3","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H49 F6 I2 Ir N7 P -","- C80 H49 F6 I2 Ir N7 P -","- C640 H392 F48 I16 Ir8 N56 P8 -","8","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.1034","0.0617","","","0.142","0.1576","","","","","","0.898","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704080","35.673","0.0005","33.4826","0.0005","19.7402","0.0002","90","","90","","90","","23578.2","0.5","100","2","100","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C61.25 H55.75 Cl1.5 F6 Ir N5 O2.12 P S2 -","- C61.25 H55.75 Cl1.5 F6 Ir N5 O2.125 P S2 -","- C980 H892 Cl24 F96 Ir16 N80 O34 P16 S32 -","16","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.0617","0.061","","","0.1578","0.159","","","","","","1.067","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704081","6.658","0.0002","30.3359","0.0008","8.7411","0.0002","90","","90.952","0.001","90","","1765.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B11 Ba3 H5 O23 Pb -","- B11 Ba3 O23 Pb -","- B44 Ba12 O92 Pb4 -","4","1","","Kuo, Yu-Chen; Liu, Hsin-Kuan; Wang, Sue-Lein; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, crystal structure, and infrared and NMR spectroscopy of a barium lead borate with a 2D layer structure: [Ba<sub>3</sub>Pb(H<sub>2</sub>O)][B<sub>11</sub>O<sub>19</sub>(OH)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6220","6226","10.1039/d0dt01172j","","","0.71073","MoKα","","0.0368","0.0362","","","0.0894","0.0899","","","","","","1.072","","","","has coordinates","252773","2020-10-21","18:00:00",""
"7704082","9.1938","0.0008","9.302","0.001","10.8819","0.0011","92.223","0.004","113.075","0.003","113.397","0.004","764.66","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 Cl6 N4 Np O6 -","- C16 H40 Cl6 N4 Np O6 -","- C16 H40 Cl6 N4 Np O6 -","1","0.5","","Pyrch, Mikaela M.; Bjorklund, Jennifer L.; Williams, James M.; Parr Iv, Daniel L.; Mason, Sara E.; Leddy, Johna; Forbes, Tori Z.","Impacts of hydrogen bonding interactions with Np(v/vi)O<sub>2</sub>Cl<sub>4</sub> complexes: vibrational spectroscopy, redox behavior, and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6854","6866","10.1039/d0dt00848f","","","0.71073","MoKα","","0.0197","0.0189","","","0.0377","0.038","","","","","","1.051","","","","has coordinates","252785","2020-10-21","18:00:00",""
"7704083","7.3582","0.0004","20.4362","0.0011","14.4158","0.0008","90","","96.69","0.002","90","","2153","0.2","107","2","107","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl4 N3 Np O5 -","- C12 H30 Cl4 N3 Np O5 -","- C48 H120 Cl16 N12 Np4 O20 -","4","1","","Pyrch, Mikaela M.; Bjorklund, Jennifer L.; Williams, James M.; Parr Iv, Daniel L.; Mason, Sara E.; Leddy, Johna; Forbes, Tori Z.","Impacts of hydrogen bonding interactions with Np(v/vi)O<sub>2</sub>Cl<sub>4</sub> complexes: vibrational spectroscopy, redox behavior, and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6854","6866","10.1039/d0dt00848f","","","0.71073","MoKα","","0.0139","0.0124","","","0.0293","0.0296","","","","","","1.167","","","","has coordinates","252785","2020-10-21","18:00:00",""
"7704084","8.4972","0.0003","14.6869","0.0005","21.5538","0.0012","90","","91.647","0.004","90","","2688.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C12 H72 Bi8 I36 N12 -","4","1","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","x-ray","0.6804","synchrotron","","0.0989","0.092","","","0.2803","0.2867","","","","","","1.211","","","","has coordinates","252804","2020-10-21","18:00:00",""
"7704085","8.53568","0.00006","8.53568","0.00006","21.7298","0.0002","90","","90","","120","","1371.08","0.019","230","2","230","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C6 H36 Bi4 I18 N6 -","2","0.0833333","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","","0.6804","synchrotron","","0.0204","0.0187","","","0.0481","0.0488","","","","","","1.085","","","","has coordinates,has disorder","252804","2020-10-21","18:00:00",""
"7704086","8.5731","0.0001","8.5731","0.0001","21.7479","0.0003","90","","90","","120","","1384.28","0.03","293","1","293","1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C6 H36 Bi4 I18 N6 -","2","0.0833333","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","","0.6804","synchrotron","","0.0223","0.0203","","","0.0497","0.0506","","","","","","1.062","","","","has coordinates,has disorder","252804","2020-10-21","18:00:00",""
"7704087","18.94284","0.00014","18.83413","0.00012","9.13917","0.00006","90","","90","","90","","3260.6","0.04","100","1","100","1","","","","","","","","6","C m m a","-C 2a 2","67","","","","- C6 H36 Bi Cl3 I6 N6 -","- C6 H36 Bi Cl3 I6 N6 -","- C24 H144 Bi4 Cl12 I24 N24 -","4","0.25","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","x-ray","0.6935","synchrotron","","0.0217","0.0217","","","0.0589","0.0589","","","","","","1.117","","","","has coordinates","252804","2020-10-21","18:00:00",""
"7704088","11.5817","0.0011","17.9358","0.0017","21.123","0.002","90","","90","","90","","4387.8","0.7","100","2","100.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H74 O4 P2 Pd -","- C44 H74 O4 P2 Pd -","- C176 H296 O16 P8 Pd4 -","4","1","","Becica, Joseph; Gaube, Gregory; Sabbers, William A.; Leitch, David C.","Oxidative addition of activated aryl-carboxylates to Pd(0): divergent reactivity dependant on temperature and structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16067","16071","10.1039/d0dt01119c","","","0.71073","MoKα","","0.0209","0.019","","","0.0428","0.0435","","","","","","1.068","","","","has coordinates","260775","2021-01-07","06:27:37",""
"7704089","13.5548","0.0009","13.7277","0.001","14.8809","0.001","67.878","0.001","74.021","0.001","86.4","0.002","2463.4","0.3","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H81.98 O4 P2 Pd -","- C54 H81.98 O4 P2 Pd -","- C108 H163.96 O8 P4 Pd2 -","2","1","","Becica, Joseph; Gaube, Gregory; Sabbers, William A.; Leitch, David C.","Oxidative addition of activated aryl-carboxylates to Pd(0): divergent reactivity dependant on temperature and structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16067","16071","10.1039/d0dt01119c","","","0.71073","MoKα","","0.0419","0.0342","","","0.0865","0.0912","","","","","","1.049","","","","has coordinates,has disorder","260775","2021-01-07","06:27:39",""
"7704090","14.905","0.007","24.92","0.012","10.988","0.005","90","","102.752","0.004","90","","3981","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Chloridotris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(TOAMe2)(Cl)](BPh4)","","- C42 H50 B Cl N4 Ni O3 -","- C42 H50 B Cl N4 Ni O3 -","- C168 H200 B4 Cl4 N16 Ni4 O12 -","4","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0788","0.0667","","","0.1871","0.1957","","","","","","1.077","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704091","12.0793","0.0006","13.4525","0.0005","15.135","0.0006","90","","111.02","0.002","90","","2295.73","0.17","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Chloridotris{((S)-4-tert-butyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(s-TOABu)(Cl)](BPh4)","","- C48 H62 B Cl N4 Ni O3 -","- C48 H62 B Cl N4 Ni O3 -","- C96 H124 B2 Cl2 N8 Ni2 O6 -","2","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0246","0.0214","","","0.0438","0.0443","","","","","","0.892","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704092","11.79","0.006","13.799","0.006","15.362","0.007","64.129","0.015","83.65","0.02","81.82","0.02","2222.6","1.8","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[Ni(OAc)(TOAMe2)](BPh4)","[(Acetato){tris(4,4-dimethyl-2-oxazolylmethyl)amine}nickel(II)]tetraphenylborate","","- C44 H53 B N4 Ni O5 -","- C44 H53 B N4 Ni O5 -","- C88 H106 B2 N8 Ni2 O10 -","2","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0618","0.0437","","","","0.1589","","","","","","0.725","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704093","14.544","0.005","11.405","0.004","28.205","0.01","90","","102.024","0.004","90","","4576","3","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[nitratotris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate bisdichloromethane","[Ni(TOAMe2)(NO3)](BPh4)2CH2Cl2","","- C44 H54 B Cl4 N5 Ni O6 -","- C44 H54 B Cl4 N5 Ni O6 -","- C176 H216 B4 Cl16 N20 Ni4 O24 -","4","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0807","0.0661","","","0.1825","0.1974","","","","","","1.037","","","","has coordinates,has disorder","252817","2020-10-21","18:00:00",""
"7704094","63.3792","0.0017","58.8576","0.0015","9.7929","0.0002","90","","90","","90","","36530.9","1.5","113","2","113","2","","","","","","","","7","F d d 2","F 2 -2d","43","[(3-chlorobenzoato)aquatris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(mCBA)(TOAMe2)(OH2)](BPh4)","","- C49 H56 B Cl N4 Ni O6 -","- C49 H56 B Cl N4 Ni O6 -","- C1568 H1792 B32 Cl32 N128 Ni32 O192 -","32","2","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0394","0.037","","","0.0757","0.077","","","","","","1.152","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704095","9.4856","0.0004","26.4577","0.0014","13.9175","0.0007","90","","108.917","0.002","90","","3304.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Co N2 O3 -","- C38 H50 Co N2 O3 -","- C152 H200 Co4 N8 O12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo; Zhang, Yi-Quan; Ren, Xiao-Ming","Bulky Schiff-base ligand supported Co(ii) single-ion magnets with zero-field slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5798","5802","10.1039/d0dt00790k","","","0.71073","MoKα","","0.0802","0.0444","","","0.0884","0.1011","","","","","","1.023","","","","has coordinates","252805","2020-10-21","18:00:00",""
"7704096","9.9489","0.0007","25.4584","0.0017","13.7446","0.001","90","","107.112","0.002","90","","3327.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Br2 Co N2 O3 -","- C36 H44 Br2 Co N2 O3 -","- C144 H176 Br8 Co4 N8 O12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo; Zhang, Yi-Quan; Ren, Xiao-Ming","Bulky Schiff-base ligand supported Co(ii) single-ion magnets with zero-field slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5798","5802","10.1039/d0dt00790k","","","0.71073","MoKα","","0.0906","0.0489","","","0.0925","0.1056","","","","","","1.036","","","","has coordinates","252805","2020-10-21","18:00:00",""
"7704097","12.6015","0.0013","7.4542","0.0008","15.1789","0.0016","90","","102.403","0.001","90","","1392.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N O6 Pb -","- C15 H9 N O6 Pb -","- C60 H36 N4 O24 Pb4 -","4","1","","Zhao, Xue-Yan; Liang, Bing; Xiong, Ke-Cai; Shi, Yu-Wen; Yang, Si-Lei; Wei, Ting-Yu; Zhang, Hui; Zhang, Qing-Fu; Gai, Yan-Li","Two novel lead-based coordination polymers for luminescence sensing of anions, cations and small organic molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5695","5702","10.1039/d0dt00533a","","","0.71073","MoKα","","0.0243","0.0216","","","0.0529","0.054","","","","","","1.038","","","","has coordinates","252751","2020-10-21","18:00:00",""
"7704098","24.1364","0.0016","8.7914","0.0006","7.5418","0.0005","90","","90","","90","","1600.32","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15.5 H12 N O7 Pb -","- C15.5 H11 N O7 Pb -","- C62 H44 N4 O28 Pb4 -","4","1","","Zhao, Xue-Yan; Liang, Bing; Xiong, Ke-Cai; Shi, Yu-Wen; Yang, Si-Lei; Wei, Ting-Yu; Zhang, Hui; Zhang, Qing-Fu; Gai, Yan-Li","Two novel lead-based coordination polymers for luminescence sensing of anions, cations and small organic molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5695","5702","10.1039/d0dt00533a","","","0.71073","MoKα","","0.0251","0.0225","","","0.0521","0.0529","","","","","","1.076","","","","has coordinates","252751","2020-10-21","18:00:00",""
"7704099","9.429","0.0005","10.4037","0.0008","12.8727","0.0008","107.115","0.007","90.214","0.005","100.707","0.006","1183.54","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","1","","- C24 H28 Cl2 N4 Ni -","- C24 H28 Cl2 N4 Ni -","- C48 H56 Cl4 N8 Ni2 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0444","0.0375","","","0.0811","0.0862","","","","","","1.041","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704100","9.0074","0.0005","9.9859","0.0006","11.7946","0.0006","87.05","0.004","75.671","0.004","71.025","0.005","971.54","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N4 Ni -","- C20 H20 Cl2 N4 Ni -","- C40 H40 Cl4 N8 Ni2 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","1.54184","CuKα","","0.0578","0.0563","","","0.1534","0.1554","","","","","","1.045","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704101","9.1097","0.0005","10.1284","0.0005","12.2167","0.0007","90.864","0.004","100.473","0.004","101.39","0.004","1085.07","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","6","","- C23 H21 Cl2 N5 Ni -","- C23 H21 Cl2 N5 Ni -","- C46 H42 Cl4 N10 Ni2 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0319","0.0278","","","0.062","0.0648","","","","","","1.057","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704102","13.7101","0.0008","14.8189","0.0006","17.3058","0.0008","90","","90","","90","","3516","0.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cl2 N4 Ni -","- C18 H14 Cl2 N4 Ni -","- C144 H112 Cl16 N32 Ni8 -","8","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.047","0.0358","","","0.0893","0.0975","","","","","","1.055","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704103","10.4316","0.0003","15.7887","0.0004","13.0106","0.0003","90","","100.576","0.002","90","","2106.46","0.1","100.03","0.11","100.03","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl6.64 I1.36 N8 Ni2 -","- C38 H32 Cl6.6436 I1.3564 N8 Ni2 -","- C76 H64 Cl13.2872 I2.7128 N16 Ni4 -","2","0.5","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","1.54184","CuKα","","0.0289","0.0271","","","0.0697","0.0707","","","","","","1.068","","","","has coordinates,has disorder","252792","2020-10-21","18:00:00",""
"7704104","13.3625","0.0002","14.1391","0.0002","20.0908","0.0002","90","","90","","90","","3795.83","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl2 N4 Ni -","- C20 H18 Cl2 N4 Ni -","- C160 H144 Cl16 N32 Ni8 -","8","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0281","0.0271","","","0.0747","0.0755","","","","","","1.057","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704105","29.279","0.004","10.4375","0.0013","4.6429","0.0006","90","","90","","90","","1418.9","0.3","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","HLc","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0475","0.0432","","","0.105","0.1092","","","","","","1.072","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704106","12.3109","0.0015","9.8915","0.0013","15.806","0.002","90","","108.517","0.007","90","","1825.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 N8 Ni2 -","- C36 H28 Cl4 N8 Ni2 -","- C72 H56 Cl8 N16 Ni4 -","2","0.5","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0488","0.0294","","","0.0599","0.0672","","","","","","1.03","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704107","10.3761","0.0006","15.2932","0.0009","11.9597","0.0007","90","","95.102","0.001","90","","1890.29","0.19","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 I2 N4 Ni -","- C18 H14 I2 N4 Ni -","- C72 H56 I8 N16 Ni4 -","4","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0322","0.0288","","","0.0694","0.0709","","","","","","1.127","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704108","8.6058","0.0004","10.9184","0.0004","11.7427","0.0004","68.67","0.003","83.291","0.003","89.466","0.003","1020.09","0.07","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 N4 -","- C24 H26 N4 -","- C48 H52 N8 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0383","0.0361","","","0.0972","0.0991","","","","","","1.055","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704109","9.6504","0.0004","14.5816","0.0005","12.5608","0.0004","90","","98.294","0.002","90","","1749.05","0.11","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl4 N8 Ni2 -","- C36 H32 Cl4 N8 Ni2 -","- C72 H64 Cl8 N16 Ni4 -","2","0.5","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0423","0.0281","","","0.0609","0.0663","","","","","","1.047","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704110","19.0222","0.0004","12.3486","0.0002","20.4706","0.0004","90","","90.436","0.002","90","","4808.35","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl2 N4 Ni -","- C24 H26 Cl2 N4 Ni -","- C192 H208 Cl16 N32 Ni8 -","8","2","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0492","0.0468","","","0.1267","0.1297","","","","","","1.039","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704111","13.272","0.009","9.007","0.008","5.04","0.003","90","","90","","90","","602.5","0.8","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Li2 Na2 O7 P2 -","- Li2 Na2 O7 P2 -","- Li8 Na8 O28 P8 -","4","0.5","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0436","0.0386","","","0.0848","0.0877","","","","","","1.076","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7704112","9.783","0.003","9.914","0.004","13.749","0.005","90","","90","","90","","1333.5","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Mg O15 P4 Pb4 -","- Mg O15 P4 Pb4 -","- Mg4 O60 P16 Pb16 -","4","1","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0977","0.0647","","","0.1264","0.1468","","","","","","0.97","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7704113","25.65","0.004","9.9763","0.0013","9.9245","0.0013","90","","109.709","0.003","90","","2390.8","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Li8 O28 P8 Pb3 -","- Ba Li8 O28 P8 Pb3 -","- Ba4 Li32 O112 P32 Pb12 -","4","0.5","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0466","0.0386","","","0.0839","0.0876","","","","","","1.066","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7704114","18.621","0.002","14.8023","0.0014","13.5101","0.0014","90","","102.987","0.004","90","","3628.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","18RPA009","","","- C36 H39 Au3 N6 -","- C36 H39 Au3 N6 -","- C144 H156 Au12 N24 -","4","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","","0.71073","MoKα","","0.073","0.0572","","","0.1288","0.1344","","","","","","1.21","","","","has coordinates,has disorder","252794","2020-10-21","18:00:00",""
"7704115","19.878","0.0005","7.8195","0.0002","20.0027","0.0005","90","","94.113","0.001","90","","3101.13","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DS-423","","","- C12 H15 Au3 N6 -","- C12 H15 Au3 N6 -","- C96 H120 Au24 N48 -","8","2","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","x-ray","0.71073","MoKα","","0.0654","0.0357","","","0.0595","0.067","","","","","","1.002","","","","has coordinates","252794","2020-10-21","18:00:00",""
"7704116","9.7911","0.0002","11.508","0.0002","11.9686","0.0002","90","","92.2034","0.0012","90","","1347.58","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DS-603 - 18RPA006","","","- C12 H14 Au Cl N2 -","- C12 H14 Au Cl N2 -","- C48 H56 Au4 Cl4 N8 -","4","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","","0.71073","MoKα","","0.0463","0.0282","","","0.0517","0.056","","","","","","1.041","","","","has coordinates","252794","2020-10-21","18:00:00",""
"7704117","11.544","0.0011","18.4996","0.0018","20.653","0.002","81.069","0.003","87.896","0.003","76.262","0.003","4232.5","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H90 Ag Au6 B Cl6 F4 N12 -","- C78 H90 Ag Au6 B Cl6 F4 N12 -","- C156 H180 Ag2 Au12 B2 Cl12 F8 N24 -","2","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","x-ray","0.71073","MoKα","","0.0405","0.0269","","","0.0505","0.0544","","","","","","1.023","","","","has coordinates,has disorder","252794","2020-10-21","18:00:00",""
"7704118","11.7619","0.0005","23.8487","0.001","14.2711","0.0006","90","","101.465","0.001","90","","3923.3","0.3","100","","100.05","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H23 B F15 N P Re S3 -","- C40 H23 B F15 N P Re S3 -","- C160 H92 B4 F60 N4 P4 Re4 S12 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6127","6134","10.1039/d0dt00631a","","","0.71073","MoKα","","0.02","0.0174","","","0.0423","0.0434","","","","","","1.078","","","","has coordinates","252800","2020-10-21","18:00:00",""
"7704119","11.511","0.004","8.675","0.003","16.414","0.006","90","","96.823","0.008","90","","1627.5","1","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 Re S3 -","- C12 H20 N2 Re S3 -","- C48 H80 N8 Re4 S12 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6127","6134","10.1039/d0dt00631a","","","0.71073","MoKα","","0.0425","0.0357","","","0.083","0.0858","","","","","","0.994","","","","has coordinates","252800","2020-10-21","18:00:00",""
"7704120","13.1433","0.0003","13.2755","0.0003","14.1699","0.0003","107.595","0.001","99.184","0.001","111.442","0.001","2089.51","0.09","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H40 B Cl2 F4 N P Re S3 -","- C42 H40 B Cl2 F4 N P Re S3 -","- C84 H80 B2 Cl4 F8 N2 P2 Re2 S6 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6127","6134","10.1039/d0dt00631a","","","0.71073","MoKα","","0.0431","0.0345","","","0.0886","0.093","","","","","","1.045","","","","has coordinates,has disorder","252800","2020-10-21","18:00:00",""
"7704121","12.0543","0.0003","11.8676","0.0003","12.4149","0.0003","90","","98.794","0.001","90","","1755.14","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H40 Cu F12 N4 O6 -","- C28 H40 Cu F12 N4 O6 -","- C56 H80 Cu2 F24 N8 O12 -","2","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","1.54178","CuKα","","0.0308","0.0275","","","0.0639","0.0656","","","","","","1.021","","","","has coordinates","252778","2020-10-21","18:00:00",""
"7704122","20.826","0.002","21.226","0.002","12.0638","0.0012","90","","99.785","0.003","90","","5255.3","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cu F12 N2 O5 -","- C19 H21 Cu F12 N2 O5 -","- C152 H168 Cu8 F96 N16 O40 -","8","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","0.71073","MoKα","","0.1008","0.081","","","0.2203","0.2403","","","","","","1.064","","","","has coordinates,has disorder","252778","2020-10-21","18:00:00",""
"7704123","16.6805","0.0005","11.8287","0.0004","27.8879","0.0011","90","","105.118","0.002","90","","5312.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 F24 N4 Nd O11 -","- C38 H45 F24 N4 Nd O11 -","- C152 H180 F96 N16 Nd4 O44 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","1.54178","CuKα","","0.0572","0.048","","","0.1155","0.1213","","","","","","1.042","","","","has coordinates,has disorder","252778","2020-10-21","18:00:00",""
"7704124","11.5195","0.0003","19.0369","0.0005","19.033","0.0006","90","","90.392","0.002","90","","4173.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co F12 N4 O8 -","- C32 H48 Co F12 N4 O8 -","- C128 H192 Co4 F48 N16 O32 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","1.54178","CuKα","","0.074","0.0616","","","0.1287","0.1355","","","","","","1.055","","","","has coordinates,has disorder","252778","2020-10-21","18:00:00",""
"7704125","18.3236","0.0005","18.3236","0.0005","15.2023","0.0008","90","","90","","90","","5104.2","0.3","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H84 Cu4 F48 N8 O20 -","- C76 H84 Cu4 F48 N8 O20 -","- C152 H168 Cu8 F96 N16 O40 -","2","0.25","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","0.71073","MoKα","","0.0474","0.0428","","","0.1079","0.1126","","","","","","1.034","","","","has coordinates","252778","2020-10-21","18:00:00",""
"7704126","16.4723","0.0009","24.244","0.0009","19.1309","0.0006","90","","93.463","0.004","90","","7626.1","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H112 Cr K2 N8 O4 P4 -","- C63 H112 Cr K2 N8 O4 P4 -","- C252 H448 Cr4 K8 N32 O16 P16 -","4","0.5","","Su, Jing; Yin, Lei; Ouyang, Zhongwen; Wang, Zhenxing; Zheng, Wenjun","1,2-Diaza-4-phospholide complexes of chromium(ii): dipotassium organochromates behaving as single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6945","6949","10.1039/d0dt00878h","","x-ray","0.71073","MoKα","","0.0918","0.0537","","","0.1407","0.1636","","","","","","1.025","","","","has coordinates,has disorder","252840","2020-10-21","18:00:00",""
"7704127","24.1285","0.0018","16.1863","0.0011","18.8547","0.001","90","","101.428","0.006","90","","7217.7","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Cr K2 N8 O4 P4 -","- C72 H72 Cr K2 N8 O4 P4 -","- C288 H288 Cr4 K8 N32 O16 P16 -","4","0.5","","Su, Jing; Yin, Lei; Ouyang, Zhongwen; Wang, Zhenxing; Zheng, Wenjun","1,2-Diaza-4-phospholide complexes of chromium(ii): dipotassium organochromates behaving as single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6945","6949","10.1039/d0dt00878h","","x-ray","0.71073","MoKα","","0.1513","0.0776","","","0.1955","0.2488","","","","","","0.982","","","","has coordinates","252840","2020-10-21","18:00:00",""
"7704128","13.084","0.0008","15.8238","0.0009","8.6839","0.0005","90","","98.385","0.003","90","","1778.68","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-nacac-2-tertbutyl-phenanthridine)","","","- C22 H24 N2 O -","- C22 H24 N2 O -","- C88 H96 N8 O4 -","4","1","","Lozada, Issiah B.; Huang, Bin; Stilgenbauer, Morgan; Beach, Travis; Qiu, Zihan; Zheng, Yaorong; Herbert, David E.","Monofunctional platinum(ii) anticancer complexes based on multidentate phenanthridine-containing ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6557","6560","10.1039/d0dt01275k","","","0.71073","MoKα","","0.0793","0.0594","","","0.141","0.1499","","","","","","1.101","","","","has coordinates","252796","2020-10-21","18:00:00",""
"7704129","6.9467","0.0003","18.7502","0.0006","18.4435","0.0006","90","","100.077","0.001","90","","2365.24","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl4 N2 O Pt -","- C23 H24 Cl4 N2 O Pt -","- C92 H96 Cl16 N8 O4 Pt4 -","4","1","","Lozada, Issiah B.; Huang, Bin; Stilgenbauer, Morgan; Beach, Travis; Qiu, Zihan; Zheng, Yaorong; Herbert, David E.","Monofunctional platinum(ii) anticancer complexes based on multidentate phenanthridine-containing ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6557","6560","10.1039/d0dt01275k","","","0.71073","MoKα","","0.0489","0.0326","","","0.0632","0.0677","","","","","","1.075","","","","has coordinates","252796","2020-10-21","18:00:00",""
"7704130","8.8652","0.0004","15.5584","0.0008","15.4688","0.0006","90","","97.047","0.004","90","","2117.47","0.17","295","0.2","295","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N2 O4 V -","- C23 H23 N2 O4 V -","- C92 H92 N8 O16 V4 -","4","1","","Choroba, Katarzyna; Raposo, Luis R.; Palion-Gazda, Joanna; Malicka, Ewa; Erfurt, Karol; Machura, Barbara; Fernandes, Alexandra R.","In vitro antiproliferative effect of vanadium complexes bearing 8-hydroxyquinoline-based ligands - the substituent effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6596","6606","10.1039/d0dt01017k","","","0.71073","MoKα","","0.0789","0.0583","","","0.1579","0.17","","","","","","1.06","","","","has coordinates","252793","2020-10-21","18:00:00",""
"7704131","10.1605","0.0012","7.5416","0.0008","9.999","0.0012","90","","90","","90","","766.19","0.15","110","2","110","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Al2 H6 K2 O7 -","- Al2 H6 K2 O7 -","- Al8 H24 K8 O28 -","4","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0503","0.0367","","","0.0642","0.0677","","","","","","1.122","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704132","10.3511","0.0008","7.6823","0.0007","10.2481","0.0008","90","","90","","90","","814.93","0.12","110","2","110","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Al2 H6 O7 Rb2 -","- Al2 H6 O7 Rb2 -","- Al8 H24 O28 Rb8 -","4","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0791","0.0426","","","0.0549","0.0619","","","","","","1.07","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704133","10.4124","0.0015","6.6986","0.001","6.2156","0.001","90","","126.129","0.004","90","","350.16","0.09","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Al Cs H8 O6 -","- Al Cs O6 -","- Al2 Cs2 O12 -","2","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0274","0.0274","","","0.0786","0.0786","","","","","","1.207","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704134","19.9039","0.0003","16.3725","0.0002","38.5734","0.0005","90","","93.98","0.001","90","","12539.9","0.3","149.97","0.1","149.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H161 F N12 P4 -","- C124 H161 F N12 P4 -","- C496 H644 F4 N48 P16 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0844","0.0753","","","0.1982","0.2035","","","","","","1.052","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704135","14.3667","0.0001","12.0332","0.0001","15.3119","0.0001","90","","96.611","0.001","90","","2629.48","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 N4 O P2 -","- C56 H78 N4 O P2 -","- C112 H156 N8 O2 P4 -","2","0.5","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0446","0.0422","","","0.1088","0.1105","","","","","","1.054","","","","has coordinates","252776","2020-10-21","18:00:00",""
"7704136","22.9944","0.0004","13.1476","0.0002","19.4279","0.0003","90","","90","","90","","5873.47","0.16","235.01","0.1","235.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C63 H82 F3 N5 P2 -","- C63 H82 F3 N5 P2 -","- C252 H328 F12 N20 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0482","0.0424","","","0.1129","0.1182","","","","","","1.021","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704137","12.715","0.0001","22.9346","0.0002","21.8186","0.0002","90","","99.435","0.001","90","","6276.53","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H82 N4 O P2 -","- C62 H82 N4 O P2 -","- C248 H328 N16 O4 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0507","0.0461","","","0.1268","0.1303","","","","","","1.06","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704138","12.5962","0.0002","13.0948","0.0002","34.8018","0.0004","90","","90","","90","","5740.37","0.14","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H82 N4 P2 -","- C64 H82 N4 P2 -","- C256 H328 N16 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0405","0.0371","","","0.0934","0.096","","","","","","1.033","","","","has coordinates","252776","2020-10-21","18:00:00",""
"7704139","12.4233","0.0001","33.6427","0.0003","12.6296","0.0001","90","","94.227","0.001","90","","5264.23","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H80 N4 O P2 -","- C57 H80 N4 O P2 -","- C228 H320 N16 O4 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0408","0.0385","","","0.0978","0.0995","","","","","","1.016","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704140","13.3039","0.0003","22.5743","0.0007","26.5944","0.0006","67.479","0.002","80.235","0.002","81.533","0.002","7241.3","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C77 H94 D3 N4 O3 P2 -","- C77 H94 D3 N4 O3 P2 -","- C308 H376 D12 N16 O12 P8 -","4","2","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0687","0.0531","","","0.1373","0.1498","","","","","","1.041","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704141","26.2082","0.0009","21.2732","0.0009","22.2484","0.0008","90","","95.906","0.003","90","","12338.4","0.8","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C256 H334 N26 P8 -","- C252 H328 N24 P8 -","- C504 H656 N48 P16 -","2","0.5","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.1228","0.0639","","","0.1536","0.1739","","","","","","1.006","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704142","11.3365","0.0003","11.3427","0.0003","17.7686","0.0006","71.578","0.003","80.431","0.002","80.447","0.002","2121.79","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H55 Au B N10 -","- C41 H55 Au B N10 -","- C82 H110 Au2 B2 N20 -","2","1","","Ángel-Jijón, Carlos; Rendón-Nava, David; Vazques-Pérez, Jose M; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel; Salazar-Pereda, Verónica","NHC-Au(i) complexes bearing trispyrazolyl borate (Tp) ligands: efficient platforms for bimetallic species.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6199","6204","10.1039/d0dt00908c","","x-ray","1.54184","CuKα","","0.0362","0.0318","","","0.0795","0.0825","","","","","","1.01","","","","has coordinates","252772","2020-10-21","18:00:00",""
"7704143","10.6045","0.0004","11.9711","0.0004","20.2522","0.0008","97.609","0.003","102.029","0.003","93.076","0.003","2483.6","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 Au B N8 -","- C42 H58 Au B N8 -","- C84 H116 Au2 B2 N16 -","2","1","","Ángel-Jijón, Carlos; Rendón-Nava, David; Vazques-Pérez, Jose M; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel; Salazar-Pereda, Verónica","NHC-Au(i) complexes bearing trispyrazolyl borate (Tp) ligands: efficient platforms for bimetallic species.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6199","6204","10.1039/d0dt00908c","","x-ray","0.71073","MoKα","","0.0938","0.0409","","","0.0728","0.0887","","","","","","1.008","","","","has coordinates","252772","2020-10-21","18:00:00",""
"7704144","10.7562","0.0004","12.2016","0.0004","16.3263","0.0005","92.925","0.003","97.466","0.003","115.809","0.004","1898.68","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Au B N8 -","- C36 H46 Au B N8 -","- C72 H92 Au2 B2 N16 -","2","1","","Ángel-Jijón, Carlos; Rendón-Nava, David; Vazques-Pérez, Jose M; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel; Salazar-Pereda, Verónica","NHC-Au(i) complexes bearing trispyrazolyl borate (Tp) ligands: efficient platforms for bimetallic species.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6199","6204","10.1039/d0dt00908c","","x-ray","0.71073","MoKα","","0.0547","0.0307","","","0.0476","0.0547","","","","","","1.059","","","","has coordinates","252772","2020-10-21","18:00:00",""
"7704145","9.709","0.007","14.458","0.01","26.69","0.02","90","","90","","90","","3747","5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H64 N6 Si4 Sn -","- C26 H64 N6 Si4 Sn -","- C104 H256 N24 Si16 Sn4 -","4","1","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0241","0.0223","","","0.052","0.0527","","","","","","1.038","","","","has coordinates","253899","2020-10-21","18:00:00",""
"7704146","9.9288","0.0009","17.5771","0.0014","14.6517","0.0012","90","","92.141","0.003","90","","2555.2","0.4","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 N6 O2 Si4 Sn2 -","- C40 H78 N6 O2 Si4 Sn2 -","- C80 H156 N12 O4 Si8 Sn4 -","2","0.5","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0233","0.0186","","","0.0436","0.0455","","","","","","1.074","","","","has coordinates","253899","2020-10-21","18:00:00",""
"7704147","9.0266","0.0005","15.8031","0.001","15.9397","0.001","67.3","0.002","83.976","0.002","83.677","0.002","2080","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 Cl N3 Si2 Sn -","- C13 H32 Cl0.9996 N3 Si2 Sn0.9996 -","- C52 H128 Cl3.9984 N12 Si8 Sn3.9984 -","4","2","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0647","0.0402","","","0.0721","0.0779","","","","","","1.031","","","","has coordinates,has disorder","253899","2020-10-21","18:00:00",""
"7704148","16.171","0.011","16.289","0.01","18.325","0.012","90","","95.01","0.02","90","","4809","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H80 N6 Si4 Sn -","- C38 H80 N6 Si4 Sn -","- C152 H320 N24 Si16 Sn4 -","4","1","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0316","0.0229","","","0.0531","0.0563","","","","","","1.058","","","","has coordinates","253899","2020-10-21","18:00:00",""
"7704149","15.001","0.0007","16.7068","0.0008","16.6727","0.0008","90","","90.289","0.0019","90","","4178.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H48.67 Cl Co2 F18 N10 O4.33 P3 -","- C26 H48.6666 Cl Co2 F18 N10 O4.3333 P3 -","- C104 H194.666 Cl4 Co8 F72 N40 O17.3332 P12 -","4","1","","Kozsup, Máté; Keogan, Donal M.; Fitzgerald-Hughes, Deirdre; Enyedy, Éva A; Twamley, Brendan; Buglyó, Péter; Griffith, Darren M.","Synthesis and characterisation of Co(iii) complexes of N-formyl hydroxylamines and antibacterial activity of a Co(iii) peptide deformylase inhibitor complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6980","6988","10.1039/d0dt01123a","","x-ray","0.71073","MoKα","","0.0617","0.0502","","","0.1142","0.1214","","","","","","1.03","","","","has coordinates,has disorder","252834","2020-10-21","18:00:00",""
"7704150","21.6357","0.001","9.0441","0.0004","17.7227","0.0008","90","","126.292","0.001","90","","2795.2","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H42 F N7 O5 -","- C26 H42 F N7 O5 -","- C104 H168 F4 N28 O20 -","4","1","","Kozsup, Máté; Keogan, Donal M.; Fitzgerald-Hughes, Deirdre; Enyedy, Éva A; Twamley, Brendan; Buglyó, Péter; Griffith, Darren M.","Synthesis and characterisation of Co(iii) complexes of N-formyl hydroxylamines and antibacterial activity of a Co(iii) peptide deformylase inhibitor complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6980","6988","10.1039/d0dt01123a","","x-ray","0.71073","MoKα","","0.0432","0.037","","","0.088","0.0926","","","","","","1.047","","","","has coordinates,has disorder","252834","2020-10-21","18:00:00",""
"7704151","15.2195","0.0012","13.7845","0.0011","14.5792","0.0013","90","","105.564","0.003","90","","2946.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl2 Co N5 O7 -","- C25 H34 Cl2 Co N5 O7 -","- C100 H136 Cl8 Co4 N20 O28 -","4","1","","Kozsup, Máté; Keogan, Donal M.; Fitzgerald-Hughes, Deirdre; Enyedy, Éva A; Twamley, Brendan; Buglyó, Péter; Griffith, Darren M.","Synthesis and characterisation of Co(iii) complexes of N-formyl hydroxylamines and antibacterial activity of a Co(iii) peptide deformylase inhibitor complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6980","6988","10.1039/d0dt01123a","","x-ray","0.71073","MoKα","","0.087","0.0697","","","0.1685","0.1798","","","","","","1.031","","","","has coordinates,has disorder","252834","2020-10-21","18:00:00",""
"7704152","10.8913","0.0008","11.6608","0.0008","19.6414","0.0015","90","","90","","90","","2494.5","0.3","301","2","301","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- H39 K3 Nb14 O58 Si -","- K3 Nb14 O58 Si -","- K6 Nb28 O116 Si2 -","2","0.25","","Zhang, Ting-Ting; Lin, Po-Han; Yu, Gui-Yang; Zhang, Xiao; Cui, Xiao-Bing","Syntheses, characterization and properties of two new dodeca-niobates presenting unprecedented features.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6495","6503","10.1039/d0dt00953a","","","0.71073","MoKα","","0.0845","0.0758","","","0.2183","0.229","","","","","","1.062","","","","has coordinates","252779","2020-10-21","18:00:00",""
"7704153","12.9876","0.0003","15.2026","0.0004","21.4184","0.0006","90.056","0.002","91.376","0.002","105.376","0.002","4076.3","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H190.38 Cu9 N37.25 Nb24.63 O104.69 V5.37 -","- C37.252 H149.008 Cu9 N37.252 Nb24.626 O104.69 V5.374 -","- C37.252 H149.008 Cu9 N37.252 Nb24.626 O104.69 V5.374 -","1","0.5","","Zhang, Ting-Ting; Lin, Po-Han; Yu, Gui-Yang; Zhang, Xiao; Cui, Xiao-Bing","Syntheses, characterization and properties of two new dodeca-niobates presenting unprecedented features.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6495","6503","10.1039/d0dt00953a","","","0.71073","MoKα","","0.0748","0.0507","","","0.1212","0.1352","","","","","","1.098","","","","has coordinates,has disorder","252779","2020-10-21","18:00:00",""
"7704154","10.5246","0.0004","10.5246","0.0004","27.1616","0.0011","90","","90","","90","","3008.6","0.2","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","CoPdCo2Pd(tpda)4Cl2","","- C61 H46 Cl4 Co3 N20 Pd2 -","- C61 H45 Cl4 Co3 N20 Pd2 -","- C122 H90 Cl8 Co6 N40 Pd4 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0753","0.045","","","0.1203","0.1384","","","","","","1.087","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704155","16.0911","0.0002","15.7779","0.0002","17.0753","0.0002","90","","97.7811","0.0008","90","","4295.23","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co2 N12 O Pt -","- C44 H42 Cl2 Co2 N12 O Pt -","- C176 H168 Cl8 Co8 N48 O4 Pt4 -","4","1","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0631","0.0388","","","0.0814","0.0885","","","","","","0.977","","","","has coordinates","253882","2020-10-21","18:00:00",""
"7704156","10.5398","0.0006","10.5398","0.0006","27.112","0.0014","90","","90","","90","","3011.8","0.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","CoPtCo2Pd(tpda)4Cl2","","- C60.5 H45 Cl3 Co3 N20 Pd Pt -","- C60.5 H44.5 Cl3 Co3 N20 Pd Pt -","- C121 H89 Cl6 Co6 N40 Pd2 Pt2 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0534","0.0369","","","0.1102","0.1199","","","","","","1.078","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704157","10.5523","0.0004","10.5523","0.0004","27.0046","0.0009","90","","90","","90","","3006.99","0.19","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","NiPtCo2Pd(tpda)4Cl2","","- C60.5 H45 Cl3 Co2 N20 Ni Pd Pt -","- C60.5 H44.5 Cl3 Co2 N20 Ni Pd Pt -","- C121 H89 Cl6 Co4 N40 Ni2 Pd2 Pt2 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0365","0.0287","","","0.0886","0.0961","","","","","","1.084","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704158","20.0796","0.0002","15.9485","0.0002","21.4276","0.0003","90","","108.43","0.0007","90","","6510.02","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CoPdCo3(tpda)4Cl2","","- C63 H50 Cl8 Co4 N20 Pd -","- C63 H50 Cl8 Co4 N20 Pd -","- C252 H200 Cl32 Co16 N80 Pd4 -","4","1","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0872","0.0432","","","0.0999","0.1122","","","","","","1.036","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704159","20.0753","0.0003","15.9501","0.0002","21.4567","0.0003","90","","108.447","0.0005","90","","6517.48","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CoPtCo3(tpda)4Cl2","","- C63 H50 Cl8 Co4 N20 Pt -","- C63 H50 Cl8 Co4 N20 Pt -","- C252 H200 Cl32 Co16 N80 Pt4 -","4","1","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0711","0.041","","","0.0983","0.1067","","","","","","1.057","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704160","5.9824","0.0003","11.4997","0.0005","14.2042","0.0007","106.267","0.004","99.849","0.004","98.211","0.004","905.26","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O6 Zn -","- C22 H18 O6 Zn -","- C44 H36 O12 Zn2 -","2","1","","Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli","Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5783","5786","10.1039/d0dt00654h","","x-ray","1.54184","CuKα","","0.0452","0.0399","","","0.1036","0.1089","","","","","","1.07","","","","has coordinates","252810","2020-10-21","18:00:00",""
"7704161","5.99377","0.00017","20.9969","0.0006","14.6167","0.0005","90","","96.052","0.003","90","","1829.27","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cd O6 -","- C22 H18 Cd O6 -","- C88 H72 Cd4 O24 -","4","1","","Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli","Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5783","5786","10.1039/d0dt00654h","","x-ray","1.54184","CuKα","","0.0819","0.073","","","0.1921","0.1999","","","","","","1.176","","","","has coordinates","252810","2020-10-21","18:00:00",""
"7704162","5.9985","0.0003","11.615","0.0009","14.3679","0.0009","107.3","0.006","99.607","0.005","100.199","0.005","914.63","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Cd O6 -","- C22 H18 Cd O6 -","- C44 H36 Cd2 O12 -","2","1","","Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli","Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5783","5786","10.1039/d0dt00654h","","x-ray","1.54184","CuKα","","0.0365","0.0321","","","0.0774","0.0814","","","","","","1.033","","","","has coordinates","252810","2020-10-21","18:00:00",""
"7704163","13.1049","0.0007","7.6167","0.0011","9.4788","0.0008","90","","90","","90","","946.14","0.17","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al9 Ca2 Pt3 -","- Al9 Ca2 Pt3 -","- Al36 Ca8 Pt12 -","4","0.25","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0554","0.0166","","","0.0302","0.0387","","","","0.98","0.98","0.84","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704164","8.8324","0.0004","8.8324","0.0004","9.5325","0.0005","90","","90","","120","","644.01","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al12 Ca3 Rh4 -","- Al12 Ca3 Rh4 -","- Al24 Ca6 Rh8 -","2","0.0833333","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0167","0.0112","","","0.027","0.0286","","","","0.99","0.99","0.95","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704165","8.876","0.0004","8.876","0.0004","9.6122","0.0004","90","","90","","120","","655.83","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al12 Eu3 Rh4 -","- Al12 Eu3 Rh4 -","- Al24 Eu6 Rh8 -","2","0.0833333","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.0502","0.0509","","","","1.92","1.92","1.83","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704166","12.955","0.0003","7.5834","0.0005","9.6175","0.0004","90","","90","","90","","944.85","0.08","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al9 Ca2 Ir3 -","- Al9 Ca2 Ir3 -","- Al36 Ca8 Ir12 -","4","0.25","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0508","0.0214","","","0.0458","0.0496","","","","1.45","1.45","1.11","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704167","7.0921","0.0014","14.229","0.003","9.4303","0.0019","90","","94.57","0.03","90","","948.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Be2 Cl4 N2 -","- C12 H30 Be2 Cl4 N2 -","- C24 H60 Be4 Cl8 N4 -","2","0.5","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54186","CuKα","","0.0634","0.0456","","","0.1189","0.1343","","","","","","1.042","","","","has coordinates,has disorder","253915","2020-10-21","18:00:00",""
"7704168","7.8122","0.0003","9.8904","0.0003","13.0159","0.0005","90","","93.991","0.003","90","","1003.24","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Be Br2 N -","- C6 H15 Be Br2 N -","- C24 H60 Be4 Br8 N4 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0191","0.0187","","","0.0527","0.053","","","","","","1.144","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704169","12.2229","0.0003","10.8012","0.0003","13.2687","0.0003","90","","92.653","0.002","90","","1749.88","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 Be Cl3 N2 -","- C12 H31 Be Cl3 N2 -","- C48 H124 Be4 Cl12 N8 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0429","0.0318","","","0.0824","0.0862","","","","","","1.04","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704170","14.0352","0.0002","14.0352","0.0002","12.0689","0.0002","90","","90","","90","","2377.41","0.06","100","2","100","2","","","","","","","","5","P -4","P -4","81","","","","- C14 H34 Be1.5 Cl7 N2 -","- C14 H34 Be1.5 Cl7 N2 -","- C56 H136 Be6 Cl28 N8 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0284","0.028","","","0.0831","0.0835","","","","","","1.039","","","","has coordinates,has disorder","253915","2020-10-21","18:00:00",""
"7704171","7.5575","0.0001","11.6638","0.0002","13.2585","0.0002","90","","98.333","0.001","90","","1156.39","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Be I2 N -","- C6 H15 Be I2 N -","- C24 H60 Be4 I8 N4 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0369","0.0359","","","0.0977","0.0987","","","","","","1.055","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704172","11.0572","0.0003","8.7404","0.0002","13.093","0.0003","90","","91.947","0.002","90","","1264.63","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Be Cl4 N -","- C7 H17 Be Cl4 N -","- C28 H68 Be4 Cl16 N4 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0432","0.0405","","","0.1258","0.1283","","","","","","1.081","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704173","17.825","0.0009","11.1737","0.0006","18.7813","0.0009","90","","115.091","0.001","90","","3387.7","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H44 Hf N2 Si -","- C39 H44 Hf N2 Si -","- C156 H176 Hf4 N8 Si4 -","4","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","x-ray","0.71073","MoKα","","0.0301","0.0243","","","0.0567","0.0586","","","","","","1.055","","","","has coordinates","252788","2020-10-21","18:00:00",""
"7704174","10.6765","0.0009","11.0521","0.001","15.8719","0.0014","98.919","0.004","95.327","0.004","106.367","0.004","1756.7","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Hf N2 Si -","- C41 H44 Hf N2 Si -","- C82 H88 Hf2 N4 Si2 -","2","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","","0.71073","MoKα","","0.0281","0.0236","","","0.0531","0.0551","","","","","","1.048","","","","has coordinates","252788","2020-10-21","18:00:00",""
"7704175","18.805","0.003","11.0536","0.0019","19.59","0.003","90","","116.015","0.003","90","","3659.5","1","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H46 Hf N2 Si -","- C43 H46 Hf N2 Si -","- C172 H184 Hf4 N8 Si4 -","4","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","","0.71073","MoKα","","0.0283","0.0219","","","0.0492","0.0526","","","","","","1.033","","","","has coordinates","252788","2020-10-21","18:00:00",""
"7704176","9.7827","0.0004","10.8823","0.0005","17.9126","0.0008","90.629","0.001","92.415","0.001","111.607","0.001","1770.65","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H44 Hf N2 Si -","- C40.5 H44 Hf N2 Si -","- C81 H88 Hf2 N4 Si2 -","2","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","","0.71073","MoKα","","0.0284","0.0228","","","0.0512","0.0532","","","","","","1.023","","","","has coordinates,has disorder","252788","2020-10-21","18:00:00",""
"7704177","16.539","0.003","16.867","0.005","17.917","0.004","75.33","0.02","65.839","0.018","71.128","0.019","4272.7","1.9","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H94 Br2 Cl2 Co2 F0 N10 O12 P0 -","- C82 H94 Br2 Cl2 Co2 N10 O12 -","- C164 H188 Br4 Cl4 Co4 N20 O24 -","2","1","","Zhu, Xiao-Quan; Cao, Wen-Hai; Su, Shao-Dong; Wu, Xin-Tao; Sheng, Tian-Lu","Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6738","6743","10.1039/d0dt00033g","","","0.71073","MoKα","","0.1053","0.0658","","","0.1605","0.1859","","","","","","0.994","","","","has coordinates","252784","2020-10-21","18:00:00",""
"7704178","23.12","0.02","16.952","0.013","25.161","0.017","90","","121.52","","90","","8406","11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H186 Cl4 Co4 N18 O25 -","- C160 H186 Cl4 Co4 N18 O25 -","- C320 H372 Cl8 Co8 N36 O50 -","2","0.5","","Zhu, Xiao-Quan; Cao, Wen-Hai; Su, Shao-Dong; Wu, Xin-Tao; Sheng, Tian-Lu","Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6738","6743","10.1039/d0dt00033g","","","0.71073","MoKα","","0.1053","0.0846","","","0.1915","0.2078","","","","","","1.013","","","","has coordinates","252784","2020-10-21","18:00:00",""
"7704179","18.947","0.005","16.237","0.004","31.011","0.006","90","","114.933","0.012","90","","8651","4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C173 H208 Cl6 Co4 N22 O28 -","- C173 H208 Cl6 Co4 N22 O28 -","- C346 H416 Cl12 Co8 N44 O56 -","2","0.5","","Zhu, Xiao-Quan; Cao, Wen-Hai; Su, Shao-Dong; Wu, Xin-Tao; Sheng, Tian-Lu","Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6738","6743","10.1039/d0dt00033g","","","0.71073","MoKα","","0.0775","0.0679","","","0.183","0.195","","","","","","1.011","","","","has coordinates","252784","2020-10-21","18:00:00",""
"7704180","22.586","0.002","11.7778","0.0012","17.703","0.003","90","","126.618","0.002","90","","3779.8","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H60 Li2 Mg N4 O4 -","- C34 H60 Li2 Mg N4 O4 -","- C136 H240 Li8 Mg4 N16 O16 -","4","0.5","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.1635","0.0795","","","0.1336","0.1826","","","","","","0.989","","","","has coordinates","252777","2020-10-21","18:00:00",""
"7704181","8.2096","0.0012","8.2608","0.0012","9.391","0.0013","76.231","0.006","81.102","0.005","84.399","0.005","609.9","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 Br O2 -","- C14 H11 Br O2 -","- C28 H22 Br2 O4 -","2","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71076","MoKα","","0.0567","0.0448","","","0.0859","0.0899","","","","","","1.129","","","","has coordinates","252777","2020-10-21","18:00:00",""
"7704182","18.5707","0.0007","17.223","0.0006","15.7369","0.0006","90","","112.561","0.001","90","","4648.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H77 Mg2 N8 Na2 -","- C38 H77 Mg2 N8 Na2 -","- C152 H308 Mg8 N32 Na8 -","4","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.094","0.0704","","","0.1882","0.2121","","","","","","1.036","","","","has coordinates,has disorder","252777","2020-10-21","18:00:00",""
"7704183","7.1524","0.0007","9.2277","0.001","10.941","0.0011","76.639","0.004","70.963","0.004","77.997","0.003","657.2","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C28 H20 Br2 N2 O8 -","2","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.0269","0.0248","","","0.0816","0.0851","","","","","","1.06","","","","has coordinates","252777","2020-10-21","18:00:00",""
"7704184","17.2336","0.0006","19.0795","0.0006","24.5532","0.0008","90","","90","","90","","8073.3","0.5","136","2","135.93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H66 Mg2 N4 Na2 O2 -","- C34 H66 Mg2 N4 Na2 O2 -","- C272 H528 Mg16 N32 Na16 O16 -","8","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.0666","0.0561","","","0.147","0.1617","","","","","","1.062","","","","has coordinates,has disorder","252777","2020-10-21","18:00:00",""
"7704185","10.2705","0.0001","38.3219","0.0003","9.6139","0.0001","90","","99.199","0.001","90","","3735.22","0.06","253","0.1","253","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Mn O4 P2 -","- C44 H41 Mn O4 P2 -","- C176 H164 Mn4 O16 P8 -","4","1","","Kadassery, Karthika J.; Crawley, Matthew R.; MacMillan, Samantha N.; Lacy, David C.","A hemilabile manganese(I)-phenol complex and its coordination induced O-H bond weakening.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16217","16225","10.1039/d0dt00973c","","x-ray","1.54184","CuKα","","0.0373","0.0336","","","0.0809","0.0846","","","","","","1.048","","","","has coordinates","260790","2021-01-07","06:31:09",""
"7704186","17.6945","0.0003","12.1223","0.0001","20.1275","0.0003","90","","95.436","0.001","90","","4297.89","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H46 Cl2 Mn N O4 P2 -","- C46 H44 Mn N O4 P2 -","- C184 H176 Mn4 N4 O16 P8 -","4","1","","Kadassery, Karthika J.; Crawley, Matthew R.; MacMillan, Samantha N.; Lacy, David C.","A hemilabile manganese(I)-phenol complex and its coordination induced O-H bond weakening.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16217","16225","10.1039/d0dt00973c","","x-ray","1.54184","CuKα","","0.0401","0.0383","","","0.1054","0.1068","","","","","","1.042","","","","has coordinates","260790","2021-01-07","06:31:20",""
"7704187","15.2772","0.0006","15.5914","0.0004","22.7448","0.0007","90","","106.623","0.004","90","","5191.2","0.3","120","0.1","120","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 Br3 Ho N12 O9 P4 -","- C24 H82 Br3 Ho N12 O9 P4 -","- C96 H328 Br12 Ho4 N48 O36 P16 -","4","1","","Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Wang, Wen-Zhen","Enhancing the energy barrier by replacing the counterions in two holmium(iii)-pentagonal bipyramidal single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6703","6709","10.1039/d0dt00905a","","x-ray","0.71073","MoKα","","0.0521","0.042","","","0.0609","0.067","","","","","","0.984","","","","has coordinates,has disorder","252795","2020-10-21","18:00:00",""
"7704188","11.3789","0.0009","38.503","0.003","19.9088","0.0016","90","","101.95","0.002","90","","8533.5","1.2","293","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H132 Cl6 Ho2 N18 O18 P6 -","- C36 H132 Cl6 Ho2 N18 O18 P6 -","- C144 H528 Cl24 Ho8 N72 O72 P24 -","4","1","","Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Wang, Wen-Zhen","Enhancing the energy barrier by replacing the counterions in two holmium(iii)-pentagonal bipyramidal single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6703","6709","10.1039/d0dt00905a","","","0.71073","MoKα","","0.0985","0.0501","","","0.0954","0.1145","","","","","","1.014","","","","has coordinates,has disorder","252795","2020-10-21","18:00:00",""
"7704189","38.6072","0.0015","14.9578","0.0006","17.7771","0.0008","90","","115.3","0.0012","90","","9281.2","0.7","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C86 H64 Cl8 F6 N30 Ni5 P Ru2 S2 -","- C86 H64 Cl8 F6 N30 Ni5 P Ru2 S2 -","- C344 H256 Cl32 F24 N120 Ni20 P4 Ru8 S8 -","4","0.5","","Chiu, Cheng-Chang; Cheng, Ming-Chuan; Lin, Sheng-Hsiang; Yan, Cheng-Wei; Lee, Gene-Hsiang; Chang, Mu-Chieh; Lin, Tien-Sung; Peng, Shie-Ming","Structure and magnetic properties of a novel heteroheptanuclear metal string complex [Ni<sub>3</sub>Ru<sub>2</sub>Ni<sub>2</sub>(μ<sub>7</sub>-teptra)<sub>4</sub>(NCS)<sub>2</sub>](PF<sub>6</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6635","6643","10.1039/d0dt00156b","","","0.71073","MoKα","","0.0649","0.0422","","","0.1032","0.1305","","","","","","1.095","","","","has coordinates,has disorder","252786","2020-10-21","18:00:00",""
"7704190","5.83485","0.00014","17.7768","0.0006","20.0446","0.0005","90","","90","","90","","2079.13","0.1","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Fe N3 O2 S -","- C23 H25 Fe N3 O2 S -","- C92 H100 Fe4 N12 O8 S4 -","4","1","","Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C.; Gasser, Robin B.; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles","Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6616","6626","10.1039/d0dt01107j","","x-ray","1.54184","CuKα","","0.0558","0.0485","","","0.1225","0.1265","","","","","","1.037","","","","has coordinates","252791","2020-10-21","18:00:00",""
"7704191","14.3677","0.0005","5.7086","0.0002","24.4132","0.0007","90","","97.675","0.003","90","","1984.42","0.11","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O2 Ru S -","- C23 H25 N3 O2 Ru S -","- C92 H100 N12 O8 Ru4 S4 -","4","1","","Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C.; Gasser, Robin B.; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles","Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6616","6626","10.1039/d0dt01107j","","x-ray","1.54184","CuKα","","0.0371","0.0309","","","0.0743","0.0765","","","","","","1.002","","","","has coordinates","252791","2020-10-21","18:00:00",""
"7704192","16.3901","0.0005","5.60261","0.00016","23.944","0.0006","90","","92.292","0.003","90","","2196.95","0.11","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","to be completed","","- C25 H27 Fe N3 O2 S -","- C25 H27 Fe N3 O2 S -","- C100 H108 Fe4 N12 O8 S4 -","4","1","","Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C.; Gasser, Robin B.; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles","Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6616","6626","10.1039/d0dt01107j","","x-ray","1.54184","CuKα","","0.1048","0.0595","","","0.1333","0.1563","","","","","","1.018","","","","has coordinates","252791","2020-10-21","18:00:00",""
"7704193","17.25","0.004","9.3653","0.0015","16.656","0.004","90","","118.132","0.007","90","","2372.9","0.9","298","2","297.8","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[YFe(CN)6](PNO)2(H2O)4}(H2O),ZhangY-15Dec04e","","","- C16 H20 Fe N8 O7 Y -","- C16 H20 Fe N8 O7 Y -","- C64 H80 Fe4 N32 O28 Y4 -","4","0.5","","Xue, An-Qi; Liu, Yang-Yu; Li, Jia-Xin; Zhang, Yan; Meng, Yin-Shan; Zhu, Wen-Hua; Zhang, Yi-Quan; Sun, Hao-Ling; Wang, Fei; Qiu, Guan-Xia; Liang, Lu-Yu; Wang, Xiang; Gao, Song","The differential magnetic relaxation behaviours of slightly distorted triangular dodecahedral dysprosium analogues in a type of cyano-bridged 3d-4f zig-zag chain compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6867","6875","10.1039/d0dt00990c","","","0.71073","MoKα","","0.0522","0.0331","","","0.0707","0.0777","","","","","","1.056","","","","has coordinates","252799","2020-10-21","18:00:00",""
"7704194","17.167","0.0013","9.3455","0.0007","16.549","0.002","90","","117.999","0.003","90","","2344.3","0.4","298","2","298.6","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[DyCo(CN)6](PNO)2(H2O)4}(H2O),15Dec07a","","","- C16 H20 Co Dy N8 O7 -","- C16 H20 Co Dy N8 O7 -","- C64 H80 Co4 Dy4 N32 O28 -","4","0.5","","Xue, An-Qi; Liu, Yang-Yu; Li, Jia-Xin; Zhang, Yan; Meng, Yin-Shan; Zhu, Wen-Hua; Zhang, Yi-Quan; Sun, Hao-Ling; Wang, Fei; Qiu, Guan-Xia; Liang, Lu-Yu; Wang, Xiang; Gao, Song","The differential magnetic relaxation behaviours of slightly distorted triangular dodecahedral dysprosium analogues in a type of cyano-bridged 3d-4f zig-zag chain compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6867","6875","10.1039/d0dt00990c","","","0.71073","MoKα","","0.0278","0.0228","","","0.0468","0.0485","","","","","","1.066","","","","has coordinates","252799","2020-10-21","18:00:00",""
"7704195","17.337","0.005","9.3823","0.0019","16.651","0.007","90","","118.219","0.007","90","","2386.6","1.3","292","2","291.7","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[DyFe(CN)6](PNO)2(H2O)4}(H2O),15Jan23f","","","- C16 H20 Dy Fe N8 O7 -","- C16 H20 Dy Fe N8 O7 -","- C64 H80 Dy4 Fe4 N32 O28 -","4","0.5","","Xue, An-Qi; Liu, Yang-Yu; Li, Jia-Xin; Zhang, Yan; Meng, Yin-Shan; Zhu, Wen-Hua; Zhang, Yi-Quan; Sun, Hao-Ling; Wang, Fei; Qiu, Guan-Xia; Liang, Lu-Yu; Wang, Xiang; Gao, Song","The differential magnetic relaxation behaviours of slightly distorted triangular dodecahedral dysprosium analogues in a type of cyano-bridged 3d-4f zig-zag chain compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6867","6875","10.1039/d0dt00990c","","","0.71073","MoKα","","0.0636","0.0413","","","0.0643","0.0708","","","","","","1.023","","","","has coordinates","252799","2020-10-21","18:00:00",""
"7704196","22.41","0.003","22.131","0.003","18.447","0.003","90","","108.832","0.002","90","","8659","2","193","","193","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C57 H72 Ag F21 N24 O9 P2 Pt6 S7 -","- C57 H72 Ag F21 N24 O9 P2 Pt6 S7 -","- C228 H288 Ag4 F84 N96 O36 P8 Pt24 S28 -","4","0.5","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Metal-metal bond formation of triplatinum cores with a silver(i) ion affording a heptanuclear cluster bearing four Pt-Ag bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7680","7683","10.1039/d0dt01227k","","","0.71075","MoKα","","0.0421","0.0377","","","0.0922","0.0952","","","","","","1.054","","","","has coordinates","253922","2020-10-21","18:00:00",""
"7704197","38.466","0.007","18.519","0.003","28.967","0.005","90","","113.924","0.0016","90","","18862","6","193","","193","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Cl F3 N12 O3 Pt3 S3 -","- C28 H36 Cl F3 N12 O3 Pt3 S3 -","- C448 H576 Cl16 F48 N192 O48 Pt48 S48 -","16","2","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Metal-metal bond formation of triplatinum cores with a silver(i) ion affording a heptanuclear cluster bearing four Pt-Ag bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7680","7683","10.1039/d0dt01227k","","","0.71075","MoKα","","0.0699","0.0651","","","0.1769","0.1813","","","","","","1.095","","","","has coordinates","253922","2020-10-21","18:00:00",""
"7704198","10.553","0.002","14.046","0.003","14.758","0.003","92.22","0.03","108.48","0.03","97.02","0.03","2052.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H110 Ca2 N6 -","- C100 H110 Ca2 N6 -","- C100 H110 Ca2 N6 -","1","0.5","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0432","0.0398","","","0.1042","0.1068","","","","","","1.055","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704199","10.582","0.002","14.1","0.003","14.769","0.003","91.27","0.03","108.93","0.03","96.4","0.03","2067.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H110 N6 Sr2 -","- C100 H110 N6 Sr2 -","- C100 H110 N6 Sr2 -","1","0.5","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0413","0.0359","","","0.0868","0.0894","","","","","","1.062","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704200","14.0702","0.001","19.231","0.0013","15.6894","0.0012","90","","105.232","0.003","90","","4096.2","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Ca I2 N3 -","- C43 H47 Ca I2 N3 -","- C172 H188 Ca4 I8 N12 -","4","1","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.71073","MoKα","","0.136","0.0589","","","0.1261","0.1601","","","","","","1.035","","","","has coordinates,has disorder","252787","2020-10-21","18:00:00",""
"7704201","8.398","0.0017","27.96","0.006","17.207","0.003","90","","101.17","0.03","90","","3963.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Mg N3 O -","- C47 H57 Mg N3 O -","- C188 H228 Mg4 N12 O4 -","4","1","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0626","0.0461","","","0.1082","0.1169","","","","","","1.056","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704202","10.538","0.002","14.14","0.003","14.454","0.003","87.98","0.03","75.31","0.03","85.85","0.03","2077.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H110 Ba2 N6 -","- C100 H110 Ba2 N6 -","- C100 H110 Ba2 N6 -","1","0.5","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0333","0.0302","","","0.0745","0.0759","","","","","","1.064","","","","has coordinates,has disorder","252787","2020-10-21","18:00:00",""
"7704203","21.635","0.0009","21.6488","0.0008","17.4647","0.0006","90","","93.448","0.001","90","","8165.2","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 I2 Mg N3 -","- C43 H47 I2 Mg N3 -","- C344 H376 I16 Mg8 N24 -","8","2","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.71073","MoKα","","0.0752","0.0386","","","0.0583","0.0661","","","","","","0.861","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704204","9.662","0.0019","25.268","0.005","17.731","0.004","90","","92.75","0.03","90","","4323.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 Mg N3 O2 -","- C51 H63 Mg N3 O2 -","- C204 H252 Mg4 N12 O8 -","4","1","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0952","0.0642","","","0.147","0.1644","","","","","","1.049","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704205","11.024","0.002","14.654","0.003","26.069","0.005","97.74","0.03","100.95","0.03","109.95","0.03","3794.7","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H47 I Mg N3 -","- C43 H47 I Mg N3 -","- C172 H188 I4 Mg4 N12 -","4","2","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0689","0.0446","","","0.0924","0.1013","","","","","","1.031","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704206","14.5559","0.00004","18.2554","0.00004","17.9135","0.00004","90","","103.15","0.004","90","","4635.22","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H72 F42 N10 O12 Yb2 -","- C66 H72 F42 N10 O12 Yb2 -","- C132 H144 F84 N20 O24 Yb4 -","2","0.5","","Richardson, Paul; Gálico, Diogo Alves; Ovens, Jeffrey; Sigoli, Fernando A.; Murugesu, Muralee","Incorporation of a nitrogen-rich energetic ligand in a {Yb} complex exhibiting slow relaxation of the magnetisation under an applied field.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10344","10348","10.1039/d0dt00696c","","","0.71073","MoKα","","0.1469","0.1036","","0.0679","0.0651","0.0679","","","","","","0.8545","","","","has coordinates,has disorder","257519","2020-10-21","18:00:00",""
"7704207","8.5144","0.0004","25.1345","0.0008","15.3247","0.0006","90","","98.919","0.003","90","","3239.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Fe P2 -","- C40 H40 Fe P2 -","- C160 H160 Fe4 P8 -","4","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.082","0.0543","","","0.1119","0.1302","","","","","","1.076","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704208","10.4268","0.0004","13.356","0.0005","16.4319","0.0007","90","","103.866","0.003","90","","2221.63","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Fe P2 Se2 -","- C46 H52 Fe P2 Se2 -","- C92 H104 Fe2 P4 Se4 -","2","0.5","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0795","0.0829","","","","","","1.049","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704209","31.3894","0.0012","14.2794","0.0004","26.1071","0.0011","90","","143.827","0.002","90","","6906.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Fe P2 Se2 -","- C40 H40 Fe P2 Se2 -","- C320 H320 Fe8 P16 Se16 -","8","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0746","0.0452","","","0.105","0.1441","","","","","","1.034","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704210","8.4912","0.0004","23.5605","0.0007","23.4724","0.0009","90","","90.731","0.003","90","","4695.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Br Fe P -","- C28 H30 Br Fe P -","- C224 H240 Br8 Fe8 P8 -","8","2","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0705","0.0541","","","0.131","0.147","","","","","","1.025","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704211","12.6946","0.0006","15.431","0.0005","17.5511","0.0008","90","","98.194","0.004","90","","3403","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br Cu Fe P2 -","- C40 H40 Br Cu Fe P2 -","- C160 H160 Br4 Cu4 Fe4 P8 -","4","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","1.54186","CuKα","","0.0722","0.0634","","","0.1718","0.1828","","","","","","1.094","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704212","12.8168","0.0004","19.2843","0.0005","16.9754","0.0005","90","","97.048","0.003","90","","4164","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 B Cu F4 Fe N2 P2 -","- C44 H46 B Cu F4 Fe N2 P2 -","- C176 H184 B4 Cu4 F16 Fe4 N8 P8 -","4","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0487","0.0408","","","0.1073","0.1204","","","","","","1.078","","","","has coordinates,has disorder","252797","2020-10-21","18:00:00",""
"7704213","33.3874","0.0012","9.2825","0.0002","34.0895","0.0011","90","","92.551","0.003","90","","10554.5","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Br4 Cu2 Fe2 P2 -","- C56 H60 Br4 Cu2 Fe2 P2 -","- C448 H480 Br32 Cu16 Fe16 P16 -","8","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","1.54186","CuKα","","0.0671","0.0631","","","0.1763","0.1814","","","","","","1.063","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704214","12.8345","0.0003","15.7867","0.0004","25.8517","0.0006","90","","103.724","0.002","90","","5088.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H104 Br4 Cu4 Fe2 P4 -","- C92 H104 Br4 Cu4 Fe2 P4 -","- C184 H208 Br8 Cu8 Fe4 P8 -","2","0.5","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","1.54186","CuKα","","0.0529","0.0482","","","0.1308","0.1362","","","","","","1.051","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704215","20.647","0.003","12.9366","0.0009","20.2887","0.0017","90","","91.935","0.01","90","","5416.1","1","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Ce(Htp)2(BH4)]2","","- C48 H88 B2 Ce2 P4 -","- C48 H88 B2 Ce2 P4 -","- C192 H352 B8 Ce8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","1.54184","CuKα","","0.1223","0.0925","","","0.2215","0.2417","","","","","","1.071","","","","has coordinates","252768","2020-10-21","18:00:00",""
"7704216","20.4242","0.0011","12.8734","0.0009","20.6935","0.0018","90","","94.177","0.007","90","","5426.5","0.7","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Sm(Htp)2(BH4)]2","","- C48 H88 B2 P4 Sm2 -","- C48 H88 B2 P4 Sm2 -","- C192 H352 B8 P16 Sm8 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","1.54184","CuKα","","0.1396","0.0809","","","0.2104","0.2508","","","","","","1.043","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704217","20.7897","0.001","12.9165","0.0004","20.3007","0.0006","90","","92.015","0.004","90","","5448","0.4","159","2","159","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[La(Htp)2(BH4)]2","","- C48 H88 B2 La2 P4 -","- C48 H88 B2 La2 P4 -","- C192 H352 B8 La8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","","1.54184","CuKα","","0.1123","0.0982","","","0.2536","0.2657","","","","","","1.0628","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704218","10.679","0.0002","21.0788","0.0004","18.755","0.0005","90","","98.041","0.002","90","","4180.25","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[La(Htp)2(BH4)2K(DME)2]2","","- C64 H136 B4 K2 La2 O8 P4 -","- C64 H136 B4 K2 La2 O8 P4 -","- C128 H272 B8 K4 La4 O16 P8 -","2","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.0392","0.0278","","","0.0579","0.0611","","","","","","1.046","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704219","20.3618","0.0013","12.8239","0.0019","20.685","0.003","90","","93.734","0.01","90","","5389.8","1.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Nd(Htp)2(BH4)]2","","- C48 H88 B2 Nd2 P4 -","- C48 H88 B2 Nd2 P4 -","- C192 H352 B8 Nd8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.254","0.1188","","","0.2827","0.3781","","","","","","0.988","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704220","10.6463","0.0004","21.0099","0.0009","18.7079","0.0008","90","","98.442","0.004","90","","4139.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ce(Htp)2(BH4)2K(DME)2]2","","- C64 H136 B4 Ce2 K2 O8 P4 -","- C64 H136 B4 Ce2 K2 O8 P4 -","- C128 H272 B8 Ce4 K4 O16 P8 -","2","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.0719","0.0475","","","0.0772","0.0859","","","","","","1.024","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704221","19.861","0.001","15.8524","0.0006","12.8759","0.0007","90","","106.613","0.006","90","","3884.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ce(Htp)2(BH4)2K(THF)(Et2O)]n","","- C32 H66 B2 Ce K O2 P2 -","- C32 H66 B2 Ce K O2 P2 -","- C128 H264 B8 Ce4 K4 O8 P8 -","4","1","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.0821","0.0464","","","0.0767","0.087","","","","","","1.022","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704222","11.5267","0.0006","10.329","0.0005","36.2615","0.0019","90","","98.4471","0.0018","90","","4270.4","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Clip)OsCl2 . EtOAc","2,2'-biphenylenediamido-N,N'-bis(2-oxy-3,5-di-tertbutylphenyl)-dichloroosmium(VI) ethyl acetate solvate","","- C44 H56 Cl2 N2 O4 Os -","- C44 H56 Cl2 N2 O4 Os -","- C176 H224 Cl8 N8 O16 Os4 -","4","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","0.71073","MoKα","","0.0416","0.028","","","0.0557","0.0605","","","","","","1.009","","","","has coordinates,has disorder","252835","2020-10-21","18:00:00",""
"7704223","9.87","0.007","23.816","0.019","19.126","0.014","90","","90.1","0.02","90","","4496","6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Clip)Os(py)2","2,2'-Biphenylbis((2-oxy-3,5-di-tert-butylphenyl)amido)-bis(pyridine)osmium(IV)","","- C50 H58 N4 O2 Os -","- C50 H58 N4 O2 Os -","- C200 H232 N16 O8 Os4 -","4","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","0.71073","MoKα","","0.0721","0.0606","","","0.1495","0.1544","","","","","","1.219","","","","has coordinates","252835","2020-10-21","18:00:00",""
"7704224","12.2048","0.0011","28.05","0.003","17.3586","0.0016","90","","92.9257","0.0013","90","","5934.9","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(MeClamp)Os","[Tris(2-(3',5'-di-tert-butyl-2'-oxyphenyl)amido-4- methylphenyl)amine]osmium(VI)","","- C63 H78 N4 O3 Os -","- C63 H78 N4 O3 Os -","- C252 H312 N16 O12 Os4 -","4","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","0.71073","MoKα","","0.0472","0.0297","","","0.0536","0.0573","","","","","","1.002","","","","has coordinates","252835","2020-10-21","18:00:00",""
"7704225","25.7596","0.0003","17.4114","0.0002","27.7512","0.0004","90","","90","","90","","12446.7","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(MeClamp)Ru . C6D6","[Tris(2-(3',5'-di-tert-butyl-2'-oxyphenyl)amido-4- methylphenyl)amine]ruthenium(VI)","","- C69 H78 D6 N4 O3 Ru -","- C69 H78 D6 N4 O3 Ru -","- C552 H624 D48 N32 O24 Ru8 -","8","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","1.54178","CuKα","","0.0339","0.0297","","","0.0754","0.0784","","","","","","1.043","","","","has coordinates,has disorder","252835","2020-10-21","18:00:00",""
"7704226","12.013","0.004","17.863","0.006","9.836","0.003","90","","101.484","0.005","90","","2068.4","1.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 N O2 -","- C21 H35 N O2 -","- C84 H140 N4 O8 -","4","1","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","","0.71075","MoKα","","0.0529","0.0497","","","0.1251","0.1276","","","","","","1.112","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704227","7.775","0.0002","11.1513","0.0003","21.4322","0.0005","75.708","0.002","89.494","0.002","74.48","0.002","1731.77","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H111 Al2 Cl2 N4 O4 -","- C75 H111 Al2 Cl2 N4 O4 -","- C75 H111 Al2 Cl2 N4 O4 -","1","0.5","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","x-ray","0.71073","MoKα","","0.0675","0.0598","","","0.1499","0.1563","","","","","","1.086","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704228","11.4893","0.0003","13.7084","0.0004","15.1276","0.0003","111.101","0.002","105.252","0.002","93.044","0.002","2115.43","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 Al Cl N2 O4 -","- C42 H68 Al Cl N2 O4 -","- C84 H136 Al2 Cl2 N4 O8 -","2","1","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","x-ray","0.71073","MoKα","","0.0604","0.0491","","","0.1161","0.125","","","","","","1.057","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704229","13.1378","0.0004","24.9763","0.0006","14.4263","0.0004","90","","110.413","0.003","90","","4436.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Al Cl N2 O2 -","- C48 H70 Al Cl N2 O2 -","- C192 H280 Al4 Cl4 N8 O8 -","4","1","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","x-ray","0.71073","MoKα","","0.1157","0.0981","","","0.1769","0.1875","","","","","","1.181","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704230","13.739","0.0002","13.739","0.0002","13.739","0.0002","90","","90","","90","","2593.38","0.07","173","2","173","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C17 H36 F3 N4 O3 P3 S -","- C16.333 H35.9991 F3 N3.9999 O3 P3.001 S -","- C65.332 H143.996 F12 N15.9996 O12 P12.004 S4 -","4","0.333333","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0361","0.0339","","","0.0992","0.1021","","","","","","1.091","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704231","9.5164","0.0005","9.9718","0.0005","15.6775","0.0009","79.744","0.003","87.738","0.003","63.228","0.003","1305.62","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 As N4 P2 -","- C22 H41 As N4 P2 -","- C44 H82 As2 N8 P4 -","2","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0538","0.0383","","","0.0848","0.1031","","","","","","1.0002","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704232","9.6134","0.0005","11.6759","0.0006","10.3557","0.0005","90","","98.442","0.002","90","","1149.78","0.1","100","","99.97","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 As N7 P2 -","- C16 H36 As N7 P2 -","- C32 H72 As2 N14 P4 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0265","0.0252","","","0.0683","0.0689","","","","","","1.09","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704233","9.8985","0.0006","16.8686","0.001","11.0098","0.0006","90","","114.486","0.0019","90","","1673.01","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 N4 P4 -","- C28 H46 Cl2 N4 P4 -","- C56 H92 Cl4 N8 P8 -","2","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0367","0.0299","","","0.0724","0.0762","","","","","","1.0314","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704234","16.4218","0.0012","10.8323","0.0008","18.0205","0.0014","90","","96.409","0.003","90","","3185.6","0.4","100.04","","100.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Bi N5 P2 Si2 -","- C22 H54 Bi N5 P2 Si2 -","- C88 H216 Bi4 N20 P8 Si8 -","4","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.034","0.0287","","","0.0747","0.0836","","","","","","1.05","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704235","16.0318","0.0006","9.609","0.0004","18.2097","0.0007","90","","110.363","0.0014","90","","2629.88","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N4 P2 Sb -","- C22 H41 N4 P2 Sb -","- C88 H164 N16 P8 Sb4 -","4","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0231","0.0205","","","0.0496","0.0516","","","","","","1.0312","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704236","9.5405","0.0007","11.8694","0.0008","10.3274","0.0007","90","","96.573","0.002","90","","1161.79","0.14","150","","149.99","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 I N4 P3 -","- C16 H36 I N4 P3 -","- C32 H72 I2 N8 P6 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0225","0.0192","","","0.0435","0.0452","","","","","","1.0401","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704237","9.5274","0.0008","11.9897","0.0009","10.3478","0.0007","90","","96.533","0.003","90","","1174.36","0.15","150","","149.99","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 As I N4 P2 -","- C16 H36 As I N4 P2 -","- C32 H72 As2 I2 N8 P4 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0294","0.0225","","","0.0463","0.0493","","","","","","1.0219","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704238","9.606","0.0006","18.7374","0.0012","26.7135","0.0018","90","","93.325","0.003","90","","4800.1","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 I N4 P2 Sb -","- C16 H36 I N4 P2 Sb -","- C128 H288 I8 N32 P16 Sb8 -","8","2","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0501","0.0333","","","0.0732","0.0806","","","","","","1.0235","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704239","9.7212","0.0003","18.601","0.0005","15.2849","0.0004","90","","100.53","0.0012","90","","2717.33","0.13","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H36 F3 N4 O3 P2 S Sb -","- C17 H36 F3 N4 O3 P2 S Sb -","- C68 H144 F12 N16 O12 P8 S4 Sb4 -","4","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0518","0.0429","","","0.0807","0.0859","","","","","","1.0568","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704240","12.3466","0.0007","16.0952","0.0009","26.4133","0.0015","90","","90","","90","","5248.9","0.5","100","","100","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H83 N5 O2 Si2 -","- C53 H83 N5 O2 Si2 -","- C212 H332 N20 O8 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0493","0.0366","","","0.0814","0.0896","","","","","","1.066","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704241","21.649","0.0015","21.649","0.0015","24.0739","0.0018","90","","90","","120","","9771.3","1.2","100","","100","","","","","","","","see text","7","P 65","P 65","170","","","","- C64 H71 B F15 N3 O Si2 -","- C64 H71 B F15 N3 O Si2 -","- C384 H426 B6 F90 N18 O6 Si12 -","6","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0393","0.0387","","","0.0983","0.0987","","","","","","1.096","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704242","13.2094","0.0008","18.7067","0.0012","20.357","0.0013","90","","91.315","0.002","90","","5029","0.5","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 N4 O Si3 -","- C48 H84 N4 O Si3 -","- C192 H336 N16 O4 Si12 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.073","0.0662","","","0.1423","0.1462","","","","","","1.125","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704243","26.09","0.02","13.509","0.011","27.21","0.03","90","","107.52","0.04","90","","9145","15","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H126 N6 O6 Si4 -","- C78 H126 N6 O6 Si4 -","- C312 H504 N24 O24 Si16 -","4","0.5","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0606","0.0484","","","0.112","0.1177","","","","","","1.054","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704244","16.804","0.002","14.1855","0.0018","34.372","0.004","90","","90","","90","","8193.4","1.7","100","","100","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C40 H63 N3 O4 Si2 -","- C40 H63 N3 O4 Si2 -","- C320 H504 N24 O32 Si16 -","8","2","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0301","0.029","","","0.0722","0.0729","","","","","","1.084","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704245","18.2755","0.0011","10.7417","0.0007","22.0169","0.0015","90","","90.804","0.002","90","","4321.7","0.5","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O P4 Si2 -","- C39 H63 N3 O P4 Si2 -","- C156 H252 N12 O4 P16 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0427","0.0348","","","0.0866","0.0917","","","","","","1.04","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704246","13.5215","0.0006","17.5358","0.0008","22.5862","0.001","90","","93.012","0.002","90","","5348","0.4","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H84 N4 O3 Si3 -","- C49 H84 N4 O3 Si3 -","- C196 H336 N16 O12 Si12 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0523","0.0452","","","0.1149","0.1208","","","","","","1.055","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704247","11.3834","0.0005","23.2108","0.001","15.7395","0.0007","90","","111.121","0.005","90","","3879.3","0.3","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H47 B2 Dy N12 O2 -","- C29 H31 B2 Dy N12 O2 -","- C116 H124 B8 Dy4 N48 O8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","x-ray","1.54184","CuKα","","0.0375","0.0346","","","0.0861","0.0884","","","","","","1.038","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704248","18.094","0.003","7.9885","0.0012","22.585","0.004","90","","100.683","0.003","90","","3207.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B4 Cl4 Eu2 N24 O4 -","- C54 H60 B4 Cl4 Eu2 N24 O4 -","- C108 H120 B8 Cl8 Eu4 N48 O8 -","2","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0928","0.0443","","","0.0854","0.1008","","","","","","1.005","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704249","15.9362","0.0005","22.9093","0.0007","11.483","0.0004","90","","112.196","0.001","90","","3881.6","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H45 B2 Eu N12 O2 -","- C35 H45 B2 Eu N12 O2 -","- C140 H180 B8 Eu4 N48 O8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0531","0.0461","","","0.116","0.1208","","","","","","1.154","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704250","7.802","0.0002","29.0926","0.0008","30.3533","0.0008","90","","95.2817","0.0011","90","","6860.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C125 H136 B8 Dy4 N48 O8 -","- C125 H136 B8 Dy4 N48 O8 -","- C250 H272 B16 Dy8 N96 O16 -","2","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","1.54178","CuKα","","0.0433","0.0379","","","0.087","0.0894","","","","","","1.05","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704251","33.2419","0.0015","16.0002","0.0007","14.863","0.0007","90","","90.9174","0.0018","90","","7904.3","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H80 B4 Dy2 N24 O4 -","- C73 H80 B4 Dy2 N24 O4 -","- C292 H320 B16 Dy8 N96 O16 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0596","0.0338","","","0.0579","0.0639","","","","","","1.008","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704252","15.7647","0.0008","23.1997","0.001","11.4127","0.0006","90","","111.495","0.002","90","","3883.7","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 B2 Gd N12 O2 -","- C36 H47 B2 Gd N12 O2 -","- C144 H188 B8 Gd4 N48 O8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0267","0.0222","","","0.049","0.0504","","","","","","1.1","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704253","33.3788","0.0008","16.0649","0.0005","14.8904","0.0004","90","","90.8372","0.0011","90","","7983.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H80 B4 N24 O4 Tb2 -","- C73 H80 B4 N24 O4 Tb2 -","- C292 H320 B16 N96 O16 Tb8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0686","0.0383","","","0.0748","0.0849","","","","","","1.015","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704254","15.7398","0.0009","23.0751","0.001","11.3694","0.0015","90","","111.416","0.003","90","","3844.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 B2 N12 O2 Tb -","- C29 H31 B2 N12 O2 Tb -","- C116 H124 B8 N48 O8 Tb4 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0447","0.04","","","0.105","0.1073","","","","","","1.163","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704255","15.4693","0.0012","15.8266","0.0012","18.8399","0.0014","68.361","0.001","69.361","0.001","69.376","0.001","3879.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.1 H96.05 B4 N24 O4 Tb2 -","- C67.096 H96.04 B4 N24 O4 Tb2 -","- C134.192 H192.08 B8 N48 O8 Tb4 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0387","0.0286","","","0.0676","0.0736","","","","","","1.021","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704256","13.3869","0.0004","15.1537","0.0005","17.5408","0.0006","108.845","0.0013","107.205","0.0012","93.7594","0.0014","3165.41","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H60 B4 Dy2 N24 O4 -","- C53 H60 B4 Dy2 N24 O4 -","- C106 H120 B8 Dy4 N48 O8 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","1.54178","CuKα","","0.0741","0.0575","","","0.1255","0.1333","","","","","","1.038","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704257","15.3596","0.001","15.8399","0.001","19.0548","0.0008","68.093","0.0013","69.8068","0.0018","69.0277","0.0013","3894.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.94 H87.79 B4 Eu2 N24 O4 -","- C67.943 H87.792 B4 Eu2 N24 O4 -","- C135.886 H175.584 B8 Eu4 N48 O8 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0413","0.0303","","","0.0678","0.0739","","","","","","1.128","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704258","15.3014","0.0008","16.0243","0.0008","19.0473","0.0009","66.903","0.001","69.911","0.001","69.338","0.001","3903.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C141 H160 B8 Gd4 N48 O8 -","- C141 H160 B8 Gd4 N48 O8 -","- C141 H160 B8 Gd4 N48 O8 -","1","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0379","0.0312","","","0.07","0.0757","","","","","","1.208","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704259","23.4251","0.0011","23.4251","0.0011","29.729","0.0018","90","","90","","120","","14127.8","1.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C82 H89 B6 Eu3 N36 O6 -","- C82.0014 H89.0016 B6 Eu3 N36 O6 -","- C492.008 H534.01 B36 Eu18 N216 O36 -","6","0.166667","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0529","0.0341","","","0.0613","0.0682","","","","","","1.072","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704260","15.2024","0.0007","20.4812","0.0009","21.8182","0.001","108.623","0.0018","108.881","0.002","95.255","0.002","5945.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C213 H242 B12 Dy6 N72 O12 -","- C213 H242 B12 Dy6 N72 O12 -","- C213 H242 B12 Dy6 N72 O12 -","1","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","1.54178","CuKα","","0.0562","0.0442","","","0.1075","0.1152","","","","","","1.032","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704261","19.81","0.003","19.81","0.003","13.4702","0.0019","90","","90","","120","","4578","1.2","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C25.134 H27.716 B2 Cl0.268 N12 O2.224 Tb -","- C25.134 H27.716 B2 Cl0.268 N12 O2.224 Tb -","- C150.804 H166.296 B12 Cl1.608 N72 O13.344 Tb6 -","6","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0644","0.037","","","0.0708","0.0787","","","","","","1.071","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704262","33.4373","0.0013","16.0652","0.0006","14.88","0.0006","90","","90.6487","0.0014","90","","7992.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H80 B4 Gd2 N24 O4 -","- C73 H80 B4 Gd2 N24 O4 -","- C292 H320 B16 Gd8 N96 O16 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0197","0.0175","","","0.0412","0.0424","","","","","","1.11","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704263","7.8229","0.0005","29.326","0.002","30.5001","0.0017","90","","95.385","0.003","90","","6966.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C125 H136 B8 Eu4 N48 O8 -","- C125 H136 B8 Eu4 N48 O8 -","- C250 H272 B16 Eu8 N96 O16 -","2","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0806","0.0451","","","0.0928","0.1079","","","","","","1.021","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704264","15.4419","0.0006","15.4442","0.0006","16.9108","0.0007","75.8661","0.0014","79.6313","0.0014","74.4742","0.0012","3739.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H70 B4 Gd2 N24 O4 -","- C59 H70 B4 Gd2 N24 O4 -","- C118 H140 B8 Gd4 N48 O8 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0673","0.0418","","","0.0948","0.107","","","","","","1.016","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704265","15.3419","0.0006","15.4724","0.0006","17.5268","0.0008","110.858","0.002","103.635","0.002","105.523","0.002","3483.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H136 B8 N48 O8 Tb4 -","- C125 H136 B8 N48 O8 Tb4 -","- C125 H136 B8 N48 O8 Tb4 -","1","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0604","0.0425","","","0.1044","0.1199","","","","","","1.09","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704266","23.392","0.0011","23.392","0.0011","29.8357","0.0014","90","","90","","120","","14138.4","1.2","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C82 H89 B6 Gd3 N36 O6 -","- C82.0014 H89.0016 B6 Gd3 N36 O6 -","- C492.008 H534.01 B36 Gd18 N216 O36 -","6","0.166667","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0399","0.0333","","","0.0666","0.0713","","","","","","1.214","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704267","9.9113","0.0006","11.7477","0.0007","20.9842","0.0012","102.037","0.002","100.172","0.002","93.337","0.002","2340.5","0.2","302","2","302.11","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Mo5 N6 O28 P2 -","- C30 H40 Mo5 N6 O28 P2 -","- C60 H80 Mo10 N12 O56 P4 -","2","1","","Joshi, Arti; Gupta, Ruby; Singh, Bharti; Sharma, Deepika; Singh, Monika","Effective inhibitory activity against MCF-7, A549 and HepG2 cancer cells by a phosphomolybdate based hybrid solid.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7069","7077","10.1039/d0dt01042a","","","0.71073","MoKα","","0.0395","0.0323","","","0.0801","0.0856","","","","","","1.075","","","","has coordinates,has disorder","252831","2020-10-21","18:00:00",""
"7704268","13.7426","0.0002","17.5278","0.0003","22.4882","0.0003","90","","105.024","0.001","90","","5231.74","0.14","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Al2 N4 -","- C58 H82 Al2 N4 -","- C232 H328 Al8 N16 -","4","1","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","Salt metathesis as an alternative approach to access aluminium(i) and gallium(i) β-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6377","6383","10.1039/d0dt01342k","","","0.71073","MoKα","","0.0645","0.0507","","","0.1085","0.1166","","","","","","1.048","","","","has coordinates","252770","2020-10-21","18:00:00",""
"7704269","16.6563","0.0012","14.3947","0.0011","17.3244","0.0015","90","","139.294","0.002","90","","2709","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Br2 Ni P -","- C30 H35 Br2 Ni P -","- C120 H140 Br8 Ni4 P4 -","4","1","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","0.71073","MoKα","","0.0567","0.0362","","","0.0727","0.08","","","","","","1.022","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704270","7.9405","0.0004","9.2273","0.0005","13.9856","0.0007","83.818","0.001","80.472","0.001","70.034","0.001","948.39","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H31 B9 Ni -","- C14 H31 B9 Ni -","- C28 H62 B18 Ni2 -","2","1","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","0.71073","MoKα","","0.041","0.0336","","","0.0752","0.079","","","","","","1.036","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704271","8.7709","0.0005","16.2919","0.0009","17.2763","0.0009","90","","96.782","0.004","90","","2451.4","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Br F6 N2 Ni P -","- C24 H28 Br F6 N2 Ni P -","- C96 H112 Br4 F24 N8 Ni4 P4 -","4","1","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","1.54178","CuKα","","0.0481","0.0345","","","0.0826","0.09","","","","","","1.022","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704272","19.2163","0.0003","12.0734","0.0002","12.3104","0.0002","90","","90","","90","","2856.09","0.08","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C25 H34 Br F6 N2 Ni O P -","- C25 H34 Br F6 N2 Ni O P -","- C100 H136 Br4 F24 N8 Ni4 O4 P4 -","4","0.5","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","1.54178","CuKα","","0.0395","0.0346","","","0.0885","0.0919","","","","","","1.058","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704273","14.526","0.0009","16.9081","0.0011","17.1531","0.0011","90","","143.607","0.001","90","","2499.6","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Br4 Ni2 P2 -","- C50 H64 Br4 Ni2 P2 -","- C100 H128 Br8 Ni4 P4 -","2","0.5","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","0.71073","MoKα","","0.0669","0.0544","","","0.1614","0.1721","","","","","","1.057","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704274","27.2275","0.0006","16.8312","0.0005","14.5288","0.0003","90","","101.28","0.002","90","","6529.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Co N6 O16 -","- C30 H28 Co N6 O16 -","- C240 H224 Co8 N48 O128 -","8","1","","Rajnák, Cyril; Titiš, Ján; Moncol', Ján; Boča, Roman","Effect of the distant substituent on the slow magnetic relaxation of the mononuclear Co(ii) complex with pincer-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4206","4210","10.1039/d0dt00096e","","","1.54186","CuKα","","0.062","0.0424","","","0.0862","0.0942","","","","","","1.031","","","","has coordinates,has disorder","251493","2020-10-21","18:00:00",""
"7704275","27.2147","0.0009","16.8283","0.0007","14.5231","0.0006","90","","101.134","0.003","90","","6526.1","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Co0.8 N6 O16 Zn0.2 -","- C30 H28 Co0.804 N6 O16 Zn0.196 -","- C240 H224 Co6.432 N48 O128 Zn1.568 -","8","1","","Rajnák, Cyril; Titiš, Ján; Moncol', Ján; Boča, Roman","Effect of the distant substituent on the slow magnetic relaxation of the mononuclear Co(ii) complex with pincer-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4206","4210","10.1039/d0dt00096e","","","1.54186","CuKα","","0.089","0.0591","","","0.1394","0.1594","","","","","","1.055","","","","has coordinates,has disorder","251493","2020-10-21","18:00:00",""
"7704276","27.3034","0.0009","16.8405","0.0008","14.4655","0.0006","90","","101.163","0.003","90","","6525.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N6 O16 Zn -","- C30 H28 N6 O16 Zn -","- C240 H224 N48 O128 Zn8 -","8","1","","Rajnák, Cyril; Titiš, Ján; Moncol', Ján; Boča, Roman","Effect of the distant substituent on the slow magnetic relaxation of the mononuclear Co(ii) complex with pincer-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4206","4210","10.1039/d0dt00096e","","","1.54186","CuKα","","0.0916","0.07","","","0.1581","0.1687","","","","","","1.068","","","","has coordinates,has disorder","251493","2020-10-21","18:00:00",""
"7704277","10.8277","0.0009","13.0401","0.0009","15.7196","0.0013","96.621","0.002","101.707","0.003","102.68","0.001","2090.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N4 O4 Zn -","- C42 H50.112 N4 O4 Zn -","- C84 H100.224 N8 O8 Zn2 -","2","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.1201","0.0567","","","0.115","0.1391","","","","","","1.041","","","","has coordinates,has disorder","251494","2020-10-21","18:00:00",""
"7704278","31.102","0.006","13.649","0.003","33.418","0.007","90","","90","","90","","14186","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H94 N6 O5 Zn2 -","- C75 H94 N6 O5 Zn2 -","- C600 H752 N48 O40 Zn16 -","8","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.1543","0.0653","","","0.1644","0.2058","","","","","","1.025","","","","has coordinates","251494","2020-10-21","18:00:00",""
"7704279","7.3914","0.001","11.1728","0.0015","18.077","0.002","88.21","0.003","79.092","0.004","87.909","0.005","1464.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N3 O4 Zn -","- C31 H37 N3 O4 Zn -","- C62 H74 N6 O8 Zn2 -","2","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.0908","0.0667","","","0.1938","0.2074","","","","","","1.044","","","","has coordinates","251494","2020-10-21","18:00:00",""
"7704280","7.3811","0.0013","13.9023","0.0018","16.664","0.002","99.06","0.03","102.13","0.02","104.723","0.018","1576.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N4 O4 Zn -","- C32 H36 N4 O4 Zn -","- C64 H72 N8 O8 Zn2 -","2","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.2595","0.1108","","","0.1782","0.2209","","","","","","1.101","","","","has coordinates","251494","2020-10-21","18:00:00",""
"7704281","14.9213","0.0014","28.264","0.002","29.056","0.003","90","","102.555","0.005","90","","11960.9","1.9","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C108 H107 F9 N12 O13 P6 Pd3 S3 -","- C108 H107 F9 N12 O13 P6 Pd3 S3 -","- C432 H428 F36 N48 O52 P24 Pd12 S12 -","4","1","","Eskandari, Arvin; Kundu, Arunangshu; Johnson, Alice; Karmakar, Sanjib; Ghosh, Sushobhan; Suntharalingam, Kogularamanan","A tri-metallic palladium complex with breast cancer stem cell potency.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4211","4215","10.1039/d0dt00006j","","","0.71073","MoKα","","0.1329","0.0822","","","0.1983","0.2284","","","","","","1.061","","","","has coordinates,has disorder","251495","2020-10-21","18:00:00",""
"7704282","10.6979","0.0005","12.2441","0.0006","18.0543","0.0008","90","","95.091","0.004","90","","2355.53","0.19","","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Dy N3 O8 -","- C24 H16 Dy N3 O8 -","- C96 H64 Dy4 N12 O32 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0713","0.0507","","","0.1277","0.138","","","","","","1.003","","","","has coordinates,has disorder","251496","2020-10-21","18:00:00",""
"7704283","10.7541","0.0003","12.3686","0.0004","18.2242","0.0004","90","","95.145","0.002","90","","2414.29","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N3 O8 Sm -","- C24 H16 N3 O8 Sm -","- C96 H64 N12 O32 Sm4 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0509","0.0385","","","0.0743","0.0804","","","","","","1.032","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704284","10.7504","0.0004","12.3081","0.0007","18.1494","0.0007","90","","95.071","0.004","90","","2392.07","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Gd N3 O8 -","- C24 H17 Gd N3 O8 -","- C96 H68 Gd4 N12 O32 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0731","0.0508","","","0.0887","0.0994","","","","","","1.03","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704285","10.6848","0.0005","12.2007","0.0008","18.0868","0.0009","90","","95.351","0.004","90","","2347.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N3 O8 Tb -","- C24 H16 N3 O8 Tb -","- C96 H64 N12 O32 Tb4 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0893","0.0568","","","0.0886","0.0974","","","","","","1.018","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704286","10.7464","0.0004","12.2838","0.0005","18.176","0.0006","90","","95.143","0.003","90","","2389.69","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Eu N3 O8 -","- C24 H16 Eu N3 O8 -","- C96 H64 Eu4 N12 O32 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0495","0.0377","","","0.0708","0.0752","","","","","","1.042","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704287","12.563","0.005","18.556","0.008","23.167","0.01","90","","94.53","0.006","90","","5384","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Cl3 Co2 N10 O17 -","- C46 H46 Cl3 Co2 N10 O17 -","- C184 H184 Cl12 Co8 N40 O68 -","4","1","","Biswas, Sachidulal; Bose, Suranjana; Debgupta, Joyashish; Das, Purak; Biswas, Achintesh N.","Redox-active ligand assisted electrocatalytic water oxidation by a mononuclear cobalt complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7155","7165","10.1039/d0dt00838a","","","0.71073","MoKα","","0.147","0.0852","","","0.2221","0.2615","","","","","","1.008","","","","has coordinates","252836","2020-10-21","18:00:00",""
"7704288","8.7167","0.0006","13.2069","0.0008","13.7214","0.0012","112.93","0.007","92.528","0.007","108.905","0.006","1349.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Co N5 O4 -","- C23 H20 Cl2 Co N5 O -","- C46 H40 Cl4 Co2 N10 O2 -","2","1","","Biswas, Sachidulal; Bose, Suranjana; Debgupta, Joyashish; Das, Purak; Biswas, Achintesh N.","Redox-active ligand assisted electrocatalytic water oxidation by a mononuclear cobalt complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7155","7165","10.1039/d0dt00838a","","","0.71073","MoKα","","0.1057","0.0899","","","0.2221","0.2417","","","","","","1.026","","","","has coordinates","252836","2020-10-21","18:00:00",""
"7704289","9.9875","0.0005","11.0201","0.0004","19.3941","0.0007","90","","90","","90","","2134.58","0.15","123.01","0.12","123.01","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl bismuth mono-diphenylphosphinate","","- C24 H20 Bi O2 P -","- C24 H20 Bi O2 P -","- C96 H80 Bi4 O8 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54184","CuKα","","0.03","0.0291","","","0.0724","0.0735","","","","","","1.033","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704290","18.5068","0.0011","8.9144","0.0006","21.9738","0.0018","90","","112.186","0.004","90","","3356.8","0.4","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diphenyl bismuth mono-phenylphosphinate","","- C18 H16 Bi O2 P -","- C18 H16 Bi O2 P -","- C144 H128 Bi8 O16 P8 -","8","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","","0.71073","MoKα","","0.0412","0.028","","","0.0556","0.0599","","","","","","1.003","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704291","12.018","0.0003","10.7673","0.0003","17.6146","0.0004","90","","94.874","0.002","90","","2271.11","0.1","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl bismuth mono-bis-p-methoxyphenylphosphinate","","- C26 H24 Bi O4 P -","- C26 H24 Bi O4 P -","- C104 H96 Bi4 O16 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54178","CuKα","","0.035","0.0317","","","0.0774","0.0808","","","","","","1.071","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704292","9.0005","0.0002","16.2512","0.0003","10.029","0.0002","90","","90","","90","","1466.93","0.05","123","0.13","123","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","diphenyl bismuth mono-dimethylphosphinate","","- C14 H16 Bi O2 P -","- C14 H16 Bi O2 P -","- C56 H64 Bi4 O8 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54184","CuKα","","0.0208","0.0192","","","0.0454","0.0463","","","","","","1.044","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704293","10.0392","0.0002","11.7966","0.0002","21.7852","0.0003","105.507","0.001","94.707","0.001","105.747","0.002","2359.28","0.08","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H47 Cl2 F4 Fe N3 -","- C53 H47 Cl2 F4 Fe N3 -","- C106 H94 Cl4 F8 Fe2 N6 -","2","1","","Zhang, Qiuyue; Zhang, Randi; Han, Mingyang; Yang, Wenhong; Liang, Tongling; Sun, Wen-Hua","4,4'-Difluorobenzhydryl-modified bis(imino)-pyridyliron(ii) chlorides as thermally stable precatalysts for strictly linear polyethylenes with narrow dispersities.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7384","7396","10.1039/d0dt01344g","","","0.71073","MoKα","","0.0744","0.0522","","","0.1204","0.134","","","","","","1.043","","","","has coordinates","253888","2020-10-21","18:00:00",""
"7704294","15.8334","0.001","16.755","0.0007","28.0601","0.0012","90","","100.806","0.005","90","","7312","0.6","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H67 Cl2 F8 Fe N3 -","- C81 H67 Cl2 F8 Fe N3 -","- C324 H268 Cl8 F32 Fe4 N12 -","4","1","","Zhang, Qiuyue; Zhang, Randi; Han, Mingyang; Yang, Wenhong; Liang, Tongling; Sun, Wen-Hua","4,4'-Difluorobenzhydryl-modified bis(imino)-pyridyliron(ii) chlorides as thermally stable precatalysts for strictly linear polyethylenes with narrow dispersities.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7384","7396","10.1039/d0dt01344g","","","0.71073","MoKα","","0.2665","0.0982","","","0.1744","0.2417","","","","","","0.942","","","","has coordinates","253888","2020-10-21","18:00:00",""
"7704295","12.2707","0.0005","36.6662","0.0014","12.3316","0.0005","90","","92.264","0.001","90","","5543.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 B F24 N2 O P Rh -","- C52 H47 B F24 N2 O P Rh -","- C208 H188 B4 F96 N8 O4 P4 Rh4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","","0.71073","MoKα","","0.0593","0.053","","","0.116","0.1196","","","","","","1.163","","","","has coordinates,has disorder","252839","2020-10-21","18:00:00",""
"7704296","12.2786","0.0005","13.4049","0.0005","13.7401","0.0005","90","","105.066","0.004","90","","2183.79","0.15","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Cl N P Rh -","- C20 H35 Cl N P Rh -","- C80 H140 Cl4 N4 P4 Rh4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","x-ray","0.71073","MoKα","","0.0984","0.0548","","","0.1143","0.1475","","","","","","1.061","","","","has coordinates","252839","2020-10-21","18:00:00",""
"7704297","10.9238","0.0005","12.2412","0.0005","19.478","0.0008","90","","99.966","0.001","90","","2565.3","0.19","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 F3 N2 O4 P Rh S -","- C21 H35 F3 N2 O4 P Rh S -","- C84 H140 F12 N8 O16 P4 Rh4 S4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","","0.71073","MoKα","","0.0386","0.0255","","","0.0516","0.0567","","","","","","1.045","","","","has coordinates,has disorder","252839","2020-10-21","18:00:00",""
"7704298","10.8734","0.0005","15.0578","0.0006","14.9966","0.0007","90","","110.744","0.005","90","","2296.21","0.19","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 Cl N2 O P Rh -","- C20 H35 Cl N2 O P Rh -","- C80 H140 Cl4 N8 O4 P4 Rh4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","x-ray","0.71073","MoKα","","0.0713","0.0424","","","0.0913","0.1085","","","","","","1.062","","","","has coordinates","252839","2020-10-21","18:00:00",""
"7704299","12.9981","0.0004","14.4017","0.0005","16.7912","0.0005","85.179","0.001","67.241","0.001","84.668","0.001","2881.99","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H50 B F24 N3 O P Rh -","- C54 H50 B F24 N3 O P Rh -","- C108 H100 B2 F48 N6 O2 P2 Rh2 -","2","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","","0.71073","MoKα","","0.0759","0.0472","","","0.1165","0.1315","","","","","","1.017","","","","has coordinates,has disorder","252839","2020-10-21","18:00:00",""
"7704300","7.4125","0.0006","28.588","0.003","7.5142","0.0006","90","","90","","90","","1592.3","0.2","298","","298","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pd -","- C28 H20 Fe N8 Pd -","- C56 H40 Fe2 N16 Pd2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0439","0.0345","","","0.0852","0.0892","","","","","","1.014","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704301","7.1424","0.0004","28.216","0.003","7.3155","0.0007","90","","90","","90","","1474.3","0.2","89","7","89","7","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pt -","- C28 H20 Fe N8 Pt -","- C56 H40 Fe2 N16 Pt2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0302","0.0295","","","0.075","0.0752","","","","","","1.132","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704302","7.2305","0.0003","28.393","0.0014","7.3865","0.0005","90","","90","","90","","1516.42","0.14","190","","190","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pt -","- C28 H20 Fe N7 Pt -","- C56 H40 Fe2 N14 Pt2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0491","0.0451","","","0.1157","0.1176","","","","","","1.067","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704303","7.4043","0.0004","15.1012","0.0006","28.6158","0.0014","90","","90","","90","","3199.6","0.3","298","1","298","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pt2 -","- C56 H40 Fe2 N15 Pt2 -","- C112 H80 Fe4 N30 Pt4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0443","0.0348","","","0.0815","0.0874","","","","","","1.06","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704304","7.2795","0.0005","14.9441","0.0013","28.394","0.002","90","","90","","90","","3088.9","0.4","195","","195","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pd2 -","- C56 H39 Fe2 N16 Pd2 -","- C112 H78 Fe4 N32 Pd4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0871","0.0741","","","0.1778","0.1829","","","","","","1.177","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704305","14.6772","0.0011","7.1611","0.0004","28.221","0.002","90","","90","","90","","2966.2","0.3","84.9","1","84.9","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pd2 -","- C55 H39 Fe2 N16 Pd2 -","- C110 H78 Fe4 N32 Pd4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0696","0.0572","","","0.1422","0.1481","","","","","","1.169","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704306","8.9646","0.0002","20.5099","0.0003","19.7286","0.0003","90","","90.345","0.001","90","","3627.29","0.11","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound3","","- C30 H59 Br Ge Si4 -","- C30 H59 Br Ge Si4 -","- C120 H236 Br4 Ge4 Si16 -","4","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0273","0.0246","","","0.0597","0.0607","","","","","","1.138","","","","has coordinates","252838","2020-10-21","18:00:00",""
"7704307","11.8162","0.0002","12.9307","0.0003","23.7235","0.0006","74.247","0.002","88.954","0.002","65.242","0.002","3149.01","0.14","103","2","103.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54.22 H84.22 Br Ge N2 O4 S2 Si4 -","- C54.222 H84.222 Br Ge N2 O4 S2 Si4 -","- C108.444 H168.444 Br2 Ge2 N4 O8 S4 Si8 -","2","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0943","0.0674","","","0.1639","0.1788","","","","","","1.087","","","","has coordinates,has disorder","252838","2020-10-21","18:00:00",""
"7704308","10.5503","0.0005","20.8083","0.0007","24.3847","0.0009","90","","93.32","0.003","90","","5344.3","0.4","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H73 Br N2 O4 S2 Si5 -","- C45 H73 Br N2 O4 S2 Si5 -","- C180 H292 Br4 N8 O16 S8 Si20 -","4","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.1052","0.0613","","","0.1464","0.1655","","","","","","1.052","","","","has coordinates","252838","2020-10-21","18:00:00",""
"7704309","10.1417","0.0002","16.7487","0.0003","22.3189","0.0004","90","","92.75","0.002","90","","3786.73","0.12","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H59 Br Si5 -","- C30 H59 Br Si5 -","- C120 H236 Br4 Si20 -","4","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0482","0.0372","","","0.091","0.0956","","","","","","1.022","","","","has coordinates","252838","2020-10-21","18:00:00",""
"7704310","10.7385","0.0001","20.7088","0.0002","26.3913","0.0003","76.872","0.001","88.089","0.001","78.773","0.001","5605.81","0.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H80.06 Br0.94 Ge N2 O4.06 S2 Si4 -","- C50 H80.06 Br0.94 Ge N2 O4.06 S2 Si4 -","- C200 H320.24 Br3.76 Ge4 N8 O16.24 S8 Si16 -","4","2","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0598","0.0381","","","0.0819","0.0893","","","","","","1.018","","","","has coordinates,has disorder","252838","2020-10-21","18:00:00",""
"7704311","10.5431","0.0002","20.8098","0.0003","26.3903","0.0004","76.58","0.001","88.846","0.001","77.458","0.001","5494.74","0.16","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H76 Br Ge N2 O4 S2 Si4 -","- C48 H76 Br Ge N2 O4 S2 Si4 -","- C192 H304 Br4 Ge4 N8 O16 S8 Si16 -","4","2","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0932","0.0558","","","0.1198","0.1344","","","","","","1.016","","","","has coordinates,has disorder","252838","2020-10-21","18:00:00",""
"7704312","9.4929","0.0002","14.976","0.0005","17.9421","0.0004","108.253","0.002","97.505","0.002","106.236","0.003","2258.23","0.12","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Cl3 Cu6 N18 O12 -","- C33 H36 Cl3 Cu6 N18 O12 -","- C66 H72 Cl6 Cu12 N36 O24 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","x-ray","1.54184","CuKα","","0.0665","0.0552","","","0.1555","0.1612","","","","","","1.125","","","","has coordinates,has disorder","253890","2020-10-21","18:00:00",""
"7704313","9.3378","0.0001","16.306","0.0003","17.6821","0.0003","112.78","0.002","93.55","0.001","102.595","0.001","2390.32","0.08","102","3","102","3","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41.33 Cl3 Cu6 N18 O12 -","- C36 H41.3333 Cl3 Cu6 N18 O12 -","- C72 H82.6666 Cl6 Cu12 N36 O24 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","x-ray","1.54184","CuKα","","0.0573","0.0507","","","0.1417","0.1462","","","","","","1.092","","","","has coordinates,has disorder","253890","2020-10-21","18:00:00",""
"7704314","9.4794","0.0006","15.6237","0.0008","17.3463","0.0006","109.865","0.004","96.933","0.004","102.87","0.005","2300.8","0.2","100.01","0.13","100.01","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Ag3 Cu3 N21 O9 -","- C36 H42 Ag3 Cu3 N21 O9 -","- C72 H84 Ag6 Cu6 N42 O18 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","x-ray","1.54184","CuKα","","0.0835","0.0767","","","0.2203","0.2332","","","","","","1.098","","","","has coordinates,has disorder","253890","2020-10-21","18:00:00",""
"7704315","9.5892","0.0003","14.4378","0.0003","17.4445","0.0003","106.568","0.002","94.899","0.002","107.855","0.002","2163.47","0.1","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Ag3 Cu3 N21 O9 -","- C33 H36 Ag3 Cu3 N21 O9 -","- C66 H72 Ag6 Cu6 N42 O18 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","","1.54184","CuKα","","0.0746","0.0694","","","0.1968","0.2015","","","","","","1.142","","","","has coordinates","253890","2020-10-21","18:00:00",""
"7704316","9.6819","0.0006","13.4083","0.0009","22.4107","0.0015","90","","101.786","0.004","90","","2848","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br3 N6 Ru2 -","- C28 H20 Br3 N6 Ru2 -","- C112 H80 Br12 N24 Ru8 -","4","1","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","","0.71073","MoKα","","0.0528","0.0327","","","0.0633","0.0714","","","","","","1.019","","","","has coordinates","252828","2020-10-21","18:00:00",""
"7704317","10.995","0.003","9.262","0.003","16.685","0.004","90","","125.483","0.016","90","","1383.6","0.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H20 Cl3 N6 O0 Ru2 -","- C28 H20 Cl3 N6 Ru2 -","- C56 H40 Cl6 N12 Ru4 -","2","0.5","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","","0.71073","MoKα","","0.0401","0.0286","","","0.0744","0.0805","","","","","","0.918","","","","has coordinates","252828","2020-10-21","18:00:00",""
"7704318","18.0733","0.0008","18.0733","0.0008","18.3272","0.0013","90","","90","","120","","5184.4","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H10 N3 Ru0.33 -","- C14 H10 N3 Ru0.333333 -","- C252 H180 N54 Ru6 -","18","1","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","x-ray","0.71073","MoKα","","0.0539","0.0394","","","0.1061","0.1141","","","","","","1.076","","","","has coordinates,has disorder","252828","2020-10-21","18:00:00",""
"7704319","14.1146","0.0012","18.9344","0.0015","16.0229","0.0014","90","","115.47","0.005","90","","3866","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I7 N6 Ru2 -","- C28 H20 I7 N6 Ru2 -","- C112 H80 I28 N24 Ru8 -","4","1","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","","0.71073","MoKα","","0.1345","0.0702","","","0.1905","0.2305","","","","","","1.041","","","","has coordinates","252828","2020-10-21","18:00:00",""
"7704320","7.378","0.0012","8.3356","0.0014","11.1835","0.0018","92.525","0.002","93.756","0.002","112.471","0.002","632.42","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Br6 F2 N2 Sn -","- C16 H22 Br6 F2 N2 Sn -","- C16 H22 Br6 F2 N2 Sn -","1","0.5","","You, Xiuli; Yao, Jiaojiao; Wei, Zhenhong","Tin based organic-inorganic hybrid semiconductors with reversible phase transition and dielectric anomaly.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7252","7257","10.1039/d0dt01401j","","","0.71073","MoKα","","0.0533","0.0363","","","0.1083","0.1287","","","","","","0.892","","","","has coordinates","252837","2020-10-21","18:00:00",""
"7704321","7.1559","0.0002","8.1399","0.0002","10.8356","0.0003","92.294","0.002","93.386","0.003","111.595","0.003","584.53","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","1","0.5","","You, Xiuli; Yao, Jiaojiao; Wei, Zhenhong","Tin based organic-inorganic hybrid semiconductors with reversible phase transition and dielectric anomaly.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7252","7257","10.1039/d0dt01401j","","","0.71073","MoKα","","0.0309","0.0299","","","0.0778","0.0779","","","","","","2.979","","","","has coordinates","252837","2020-10-21","18:00:00",""
"7704322","7.6657","0.0002","17.2855","0.0005","17.1528","0.0005","90","","90","","90","","2272.84","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H27 N3 O2 S2 -","- C23 H27 N3 O2 S2 -","- C92 H108 N12 O8 S8 -","4","1","","Johnson, Katherine R.; Vittardi, Sebastian B.; Gracia-Nava, Manuel A; Rack, Jeffrey J.; de Bettencourt-Dias, Ana","Luminescent lanthanide complexes with a pyridine-bis(carboxamide)-bithiophene sensitizer showing wavelength-dependent singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6661","6667","10.1039/d0dt01034k","","","0.71073","MoKα","","0.032","0.031","","","0.0895","0.0905","","","","","","1.096","","","","has coordinates,has disorder","252781","2020-10-21","18:00:00",""
"7704323","18.1321","0.0014","18.8474","0.0014","20.315","0.0015","85.563","0.001","86.474","0.001","62.93","0.001","6160.7","0.8","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C36 H48 Co9 N12 Na14 O202 P12 Se4 W24 -","- C36 H48 Co9 N12 Na14 O202 P12 Se4 W24 -","- C36 H48 Co9 N12 Na14 O202 P12 Se4 W24 -","1","0.5","","Kong, Hui; He, Peipei; Yang, Zongfei; Xu, Qiaofei; Wang, Jiawei; Ban, Ran; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Selenotungstates incorporating organophosphonate ligands and metal ions: synthesis, characterization, magnetism and catalytic efficiency in the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7420","7425","10.1039/d0dt00444h","","","0.71073","MoKα","","0.0844","0.0601","","","0.1596","0.1758","","","","","","1.074","","","","has coordinates,has disorder","253870","2020-10-21","18:00:00",""
"7704324","16.7391","0.001","19.6892","0.0013","24.9113","0.0015","91.136","0.001","103.471","0.001","109.907","0.001","7463","0.8","296","2","296.15","","","","","","","","","10","P -1","-P 1","2","","","","- C18 H24 Co4 Cs2 N6 Na2 O87 P6 Se2 W12 -","- C18 H24 Co4 Cs2 N6 Na2 O87 P6 Se2 W12 -","- C36 H48 Co8 Cs4 N12 Na4 O174 P12 Se4 W24 -","2","1","","Kong, Hui; He, Peipei; Yang, Zongfei; Xu, Qiaofei; Wang, Jiawei; Ban, Ran; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Selenotungstates incorporating organophosphonate ligands and metal ions: synthesis, characterization, magnetism and catalytic efficiency in the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7420","7425","10.1039/d0dt00444h","","","0.71073","MoKα","","0.1025","0.0609","","","0.1636","0.1923","","","","","","1.026","","","","has coordinates,has disorder","253870","2020-10-21","18:00:00",""
"7704325","16.9074","0.0019","19.793","0.002","24.551","0.003","90.418","0.002","104.442","0.002","111.826","0.002","7340.1","1.4","296","2","296.15","","","","","","","","","10","P -1","-P 1","2","","","","- C18 H24 Cs2 N6 Na2 Ni4 O90 P6 Se2 W12 -","- C18 H24 Cs2 N6 Na2 Ni4 O90 P6 Se2 W12 -","- C36 H48 Cs4 N12 Na4 Ni8 O180 P12 Se4 W24 -","2","1","","Kong, Hui; He, Peipei; Yang, Zongfei; Xu, Qiaofei; Wang, Jiawei; Ban, Ran; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Selenotungstates incorporating organophosphonate ligands and metal ions: synthesis, characterization, magnetism and catalytic efficiency in the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7420","7425","10.1039/d0dt00444h","","","0.71073","MoKα","","0.1081","0.0554","","","0.125","0.1513","","","","","","0.94","","","","has coordinates,has disorder","253870","2020-10-21","18:00:00",""
"7704326","13.432","0.0004","14.8221","0.0005","15.7791","0.0005","90.092","0.002","101.455","0.002","91.416","0.002","3077.88","0.17","140","2","140","","","","","","","","","4","P -1","-P 1","2","DEOC","di(ethoxycarbonyl)oxacalix[4]arene","","- C60 H40 N8 O32 -","- C60 H40 N8 O32 -","- C120 H80 N16 O64 -","2","1","","Dey, Shuvankar; Kumar, Anshu; Mondal, Pradip Kumar; Modi, Krunal M.; Chopra, Deepak; Jain, Vinod K.","An oxacalix[4]arene derived dual sensing fluorescent probe for the detection of As(v) and Cr(vi) oxyanions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7459","7466","10.1039/d0dt00452a","","","0.71073","MoKα","","0.2316","0.0789","","","0.1867","0.2483","","","","","","0.914","","","","has coordinates,has disorder","253876","2020-10-21","18:00:00",""
"7704327","36.8408","0.0013","36.8408","0.0013","14.839","0.001","90","","90","","90","","20140.2","1.7","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C196 H186 Cl4 Dy4 N40 O13 S8 -","- C136 H118 Cl4 Dy4 N28 O13 S8 -","- C544 H472 Cl16 Dy16 N112 O52 S32 -","4","0.25","","Salinas-Uber, Jorge; Barrios, Leoní A; Roubeau, Olivier; Aromí, Guillem","Two [Ln<sub>4</sub>] molecular rings folded as compact tetrahedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7182","7188","10.1039/d0dt01259a","","","0.71073","MoKα","","0.1113","0.0798","","","0.1783","0.1946","","","","","","1.058","","","","has coordinates,has disorder","252841","2020-10-21","18:00:00",""
"7704328","36.883","0.0014","36.883","0.0014","14.7878","0.0007","90","","90","","90","","20116.7","1.4","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C178 H174 Cl4 N36 O15 S8 Tb4 -","- C168 H148 Cl4 N34 O15 S8 Tb4 -","- C672 H592 Cl16 N136 O60 S32 Tb16 -","4","0.25","","Salinas-Uber, Jorge; Barrios, Leoní A; Roubeau, Olivier; Aromí, Guillem","Two [Ln<sub>4</sub>] molecular rings folded as compact tetrahedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7182","7188","10.1039/d0dt01259a","","","0.7749","synchrotron","","0.0913","0.0722","","","0.1849","0.2065","","","","","","1.04","","","","has coordinates,has disorder","252841","2020-10-21","18:00:00",""
"7704329","5.0341","0.0007","5.0341","0.0007","27.005","0.005","90","","90","","90","","684.37","0.18","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H8 N4 O3 -","- C4 H8 N4 O3 -","- C16 H32 N16 O12 -","4","1","","Matos, Catiúcia R M O; S Junior, Henrique C; D'Amato, Dayenny L; de Souza, Acácio S; Pinheiro, Sérgio; Guedes, Guilherme P.; Ferreira, Glaucio B.; Alves, Odivaldo C.; de Almeida, Filipe B.; Garcia, Flávio; Ronconi, Célia M","Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16359","16367","10.1039/c9dt04501e","","","0.71073","MoKα","","0.0519","0.0342","","","0.0574","0.0621","","","","","","1.046","","","","has coordinates","260772","2021-01-07","06:26:31",""
"7704330","11.1571","0.0003","11.6296","0.0004","13.2772","0.0003","109.647","0.001","105.502","0.001","102.936","0.001","1467.04","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Cu3.5 N15 O21 -","- C12 H26 Cu3.5 N15 O21 -","- C24 H52 Cu7 N30 O42 -","2","1","","Matos, Catiúcia R M O; S Junior, Henrique C; D'Amato, Dayenny L; de Souza, Acácio S; Pinheiro, Sérgio; Guedes, Guilherme P.; Ferreira, Glaucio B.; Alves, Odivaldo C.; de Almeida, Filipe B.; Garcia, Flávio; Ronconi, Célia M","Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16359","16367","10.1039/c9dt04501e","","","0.71073","MoKα","","0.0412","0.0306","","","0.0785","0.0846","","","","","","1.019","","","","has coordinates,has disorder","260772","2021-01-07","06:26:34",""
"7704331","6.0559","0.0003","22.1208","0.0011","12.1647","0.0006","90","","94.721","0.005","90","","1624.07","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pb4(2,6-ndc)3Cl2]n","","","- C18 H9 Cl O6 Pb2 -","- C18 H9 Cl O6 Pb2 -","- C72 H36 Cl4 O24 Pb8 -","4","1","","Lu, Jian; Wang, Shuai-Hua; Li, Yan; Wang, Wen-Fei; Sun, Cai; Li, Pei-Xin; Zheng, Fa-Kun; Guo, Guo-Cong","Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7309","7314","10.1039/d0dt00974a","","x-ray","0.71073","MoKα","","0.0386","0.0315","","","0.0667","0.0686","","","","","","1.06","","","","has coordinates","253878","2020-10-21","18:00:00",""
"7704332","6.0493","0.0004","12.1823","0.0006","22.6741","0.0014","90","","91.064","0.005","90","","1670.67","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pb4(2,6-ndc)3Br2]n","","","- C18 H9 Br O6 Pb2 -","- C18 H9 Br O6 Pb2 -","- C72 H36 Br4 O24 Pb8 -","4","1","","Lu, Jian; Wang, Shuai-Hua; Li, Yan; Wang, Wen-Fei; Sun, Cai; Li, Pei-Xin; Zheng, Fa-Kun; Guo, Guo-Cong","Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7309","7314","10.1039/d0dt00974a","","x-ray","0.71073","MoKα","","0.0683","0.0522","","","0.0903","0.0941","","","","","","1.165","","","","has coordinates","253878","2020-10-21","18:00:00",""
"7704333","35.3443","0.0012","11.0755","0.0004","30.2179","0.0011","90","","118.915","0.001","90","","10354.3","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H34 Au Cl N P S2 -","- C23.5 H34 Au Cl N P S2 -","- C376 H544 Au16 Cl16 N16 P16 S32 -","16","2","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.0269","0.0231","","","0.0463","0.0475","","","","","","1.065","","","","has coordinates,has disorder","253880","2020-10-21","18:00:00",""
"7704334","26.0916","0.001","44.773","0.002","24.543","0.001","90","","90","","90","","28671","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40.5 H81 Au8 Cl N8 S16 -","- C40.5 H81 Au8 Cl N8 S16 -","- C648 H1296 Au128 Cl16 N128 S256 -","16","1","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.043","0.0284","","","0.0434","0.0463","","","","","","1.021","","","","has coordinates","253880","2020-10-21","18:00:00",""
"7704335","9.5931","0.0002","11.3803","0.0003","15.108","0.0003","107.692","0.001","104.572","0.001","96.872","0.001","1486.02","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H45 Au N P S2 -","- C29 H45 Au N P S2 -","- C58 H90 Au2 N2 P2 S4 -","2","1","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.019","0.0174","","","0.0373","0.038","","","","","","1.059","","","","has coordinates,has disorder","253880","2020-10-21","18:00:00",""
"7704336","10.9925","0.0004","13.0068","0.0004","19.473","0.0006","90","","97.212","0.0013","90","","2762.17","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Au N P S2 -","- C27 H41 Au N P S2 -","- C108 H164 Au4 N4 P4 S8 -","4","1","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.0285","0.0248","","","0.0569","0.0583","","","","","","1.118","","","","has coordinates,has disorder","253880","2020-10-21","18:00:00",""
"7704337","9.1592","0.0003","15.1831","0.0005","14.3006","0.0005","90","","103.649","0.001","90","","1932.55","0.11","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pt(tape)(CH3)2","","- C16 H30 P2 Pt -","- C16 H30 P2 Pt -","- C64 H120 P8 Pt4 -","4","0.5","","Drover, Marcus W.; Bowes, Eric G.; Dufour, Maeve C.; Lesperance-Nantau, Lindsay A","Platinum complexes of a boron-rich diphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16312","16318","10.1039/d0dt00963f","","","1.54178","CuKα","","0.0182","0.0172","","","0.0443","0.0448","","","","","","1.171","","","","has coordinates","260787","2021-01-07","06:30:38",""
"7704338","16.643","0.003","9.42","0.0019","17.491","0.004","90","","90","","90","","2742.2","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 Eu N7 O9 -","- C24 H24 Eu N7 O9 -","- C96 H96 Eu4 N28 O36 -","4","0.5","","Kim, Seongwoo; Lee, Jooyeon; Jeoung, Sungeun; Moon, Hoi Ri; Kim, Min","Dual-fixations of europium cations and TEMPO species on metal-organic frameworks for the aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8060","8066","10.1039/d0dt01324b","","","0.71073","MoKα","","0.0579","0.0357","","","0.0986","0.1227","","","","","","1.008","","","","has coordinates","253866","2020-10-21","18:00:00",""
"7704339","24.99","0.002","18.4811","0.0017","17.3011","0.0017","90","","108.166","0.006","90","","7592.1","1.2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 B2 Cl6 N4 O2 -","- C78 H74 B2 Cl6 N4 O2 -","- C312 H296 B8 Cl24 N16 O8 -","4","0.5","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","","0.71073","MoKα","","0.1665","0.0764","","","0.1972","0.2331","","","","","","0.933","","","","has coordinates,has disorder","253907","2020-10-21","18:00:00",""
"7704340","15.4087","0.0005","16.283","0.0006","16.8471","0.0008","103.453","0.004","115.561","0.004","105.55","0.003","3365.7","0.3","293.6","0.2","293.6","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H76 B2 N4 -","- C83 H76 B2 N4 -","- C166 H152 B4 N8 -","2","1","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","x-ray","1.54184","CuKα","","0.1181","0.083","","","0.2417","0.2715","","","","","","1.031","","","","has coordinates","253907","2020-10-21","18:00:00",""
"7704341","16.7657","0.0016","17.7131","0.0016","38.891","0.003","90","","95.378","0.007","90","","11498.7","1.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H68 B2 N4 -","- C70 H68 B2 N4 -","- C560 H544 B16 N32 -","8","1","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","","0.71073","MoKα","","0.1209","0.0731","","","0.206","0.2287","","","","","","1.107","","","","has coordinates","253907","2020-10-21","18:00:00",""
"7704342","10.0256","0.0008","11.0728","0.0011","23.605","0.002","82.719","0.005","81.3","0.005","78.268","0.006","2523.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 B2 N4 S -","- C62 H46 B2 N4 S -","- C124 H92 B4 N8 S2 -","2","1","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","","0.71073","MoKα","","0.1535","0.0614","","","0.1345","0.1577","","","","","","0.896","","","","has coordinates","253907","2020-10-21","18:00:00",""
"7704343","18.6199","0.0003","18.6199","0.0003","38.2895","0.0008","90","","90","","120","","11496.5","0.4","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C37 H50 Cu2 N6 O16 -","- C23 H12 Cu2 N O11 -","- C207 H108 Cu18 N9 O99 -","9","0.25","","Xu, Tingting; Fan, Lihui; Jiang, Zhenzhen; Zhou, Ping; Li, Ziruo; Lu, Huangyan; He, Yabing","Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> separations.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7174","7181","10.1039/d0dt01081b","","x-ray","0.71073","MoKα","","0.0386","0.0366","","","0.1208","0.1227","","","","","","1.078","","","","has coordinates,has disorder","252826","2020-10-21","18:00:00",""
"7704344","18.5543","0.0007","18.5543","0.0007","38.4604","0.0019","90","","90","","120","","11466.6","0.8","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C37 H50 Cu2 N6 O16 -","- C22 H11 Cu2 N O11 -","- C198 H99 Cu18 N9 O99 -","9","0.25","","Xu, Tingting; Fan, Lihui; Jiang, Zhenzhen; Zhou, Ping; Li, Ziruo; Lu, Huangyan; He, Yabing","Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> separations.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7174","7181","10.1039/d0dt01081b","","x-ray","1.54178","CuKα","","0.0601","0.0515","","","0.1443","0.1523","","","","","","0.97","","","","has coordinates,has disorder","252826","2020-10-21","18:00:00",""
"7704345","18.5593","0.001","18.5593","0.001","38.48","0.002","90","","90","","120","","11478.6","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C37 H52 Cu2 N6 O16 -","- C22 H11 Cu2 N O10 -","- C198 H99 Cu18 N9 O90 -","9","0.25","","Xu, Tingting; Fan, Lihui; Jiang, Zhenzhen; Zhou, Ping; Li, Ziruo; Lu, Huangyan; He, Yabing","Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> separations.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7174","7181","10.1039/d0dt01081b","","x-ray","1.54178","CuKα","","0.0461","0.043","","","0.1334","0.1391","","","","","","1.083","","","","has coordinates,has disorder","252826","2020-10-21","18:00:00",""
"7704346","18.8787","0.0011","15.7181","0.0009","27.6141","0.0015","90","","105.651","0.001","90","","7890.3","0.8","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H78 N2 O2 P2 Zr -","- C68 H78 N2 O2 P2 Zr -","- C272 H312 N8 O8 P8 Zr4 -","4","0.5","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0659","0.0514","","","0.139","0.1497","","","","","","1.042","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704347","13.2872","0.0007","16.4819","0.001","16.7752","0.0009","69.077","0.002","75.579","0.003","80.202","0.003","3310","0.3","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H114 N2 O2 P2 Zr -","- C62 H72 N2 O2 P2 Zr -","- C124 H144 N4 O4 P4 Zr2 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","K-L~3~","0.0913","0.0531","","","0.1366","0.1546","","","","","","1.025","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704348","9.7379","0.0004","18.0542","0.0008","28.0036","0.0019","90","","90","","90","","4923.3","0.4","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H68 N2 O2 P2 -","- C55 H68 N2 O2 P2 -","- C220 H272 N8 O8 P8 -","4","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0499","0.0395","","","0.0807","0.0851","","","","","","1.031","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704349","16.866","0.018","13.874","0.014","20.49","0.02","90","","92.56","0.03","90","","4790","8","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.1 H66.2 Cl0.2 N2 O2 P2 -","- C54.1 H66.2 Cl0.2 N2 O2 P2 -","- C216.4 H264.8 Cl0.8 N8 O8 P8 -","4","0.5","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.1045","0.0484","","","0.097","0.1176","","","","","","1.009","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704350","13.449","0.003","27.82","0.007","14.86","0.004","90","","97.91","0.004","90","","5507","2","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H78 N4 O2 P2 Ti -","- C59 H78 N4 O2 P2 Ti -","- C236 H312 N16 O8 P8 Ti4 -","4","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","","0.71073","MoKα","","0.1","0.056","","","0.1022","0.1182","","","","","","1.044","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704351","9.628","","15.392","","19.387","","73.03","","82.93","","88.87","","2726.65","","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62.79 H77.45 Br0.04 N2 O2 P2 -","- C62.788 H77.4488 Br0.0424 N2 O2 P2 -","- C125.576 H154.898 Br0.0848 N4 O4 P4 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","1.54178","CuKα","","0.0718","0.0553","","","0.1364","0.1467","","","","","","1.041","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704352","13.3263","0.0004","15.6278","0.0005","16.7838","0.0006","97.578","0.0016","94.767","0.0015","106.99","0.0015","3286.27","0.19","115","","115","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H84 Cl6 N2 O4 P2 Zr -","- C63 H84 Cl6 N2 O4 P2 Zr -","- C126 H168 Cl12 N4 O8 P4 Zr2 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0637","0.0452","","","0.1075","0.1208","","","","","","1.045","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704353","13.3206","0.0009","13.3221","0.0008","22.2555","0.0013","104.471","0.003","102.628","0.003","101.728","0.003","3589.9","0.4","115","","115","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H82 Cl4 N2 O4 P2 Zr -","- C66 H82 Cl4 N2 O4 P2 Zr -","- C132 H164 Cl8 N4 O8 P4 Zr2 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.1175","0.088","","","0.2468","0.2619","","","","","","1.179","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704354","16.9665","0.001","27.054","0.0017","18.9109","0.0012","90","","116.274","0.0018","90","","7783.6","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H160 N4 O4 P4 Zr2 -","- C138 H160 N4 O4 P4 Zr2 -","- C276 H320 N8 O8 P8 Zr4 -","2","0.5","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0783","0.0567","","","0.1528","0.1749","","","","","","1.034","","","","has coordinates","252830","2020-10-21","18:00:00",""
"7704355","13.146","0.003","16.86","0.004","26.432","0.007","77.952","0.004","76.799","0.004","69.323","0.004","5283","2","296","2","296","2","","","","","","","","10","P -1","-P 1","2","","","","- C9 H64 Co K N15 Na2 O83 Si2 Sn W19 -","- C9 H48 Co K N15 Na2 O83 Si2 Sn W19 -","- C18 H96 Co2 K2 N30 Na4 O166 Si4 Sn2 W38 -","2","1","","Zhang, Yao; Li, Meng-Xuan; Hao, Qiang; Su, Fang; Zhu, Zai-Ming; Li, Jian-Sheng; Sang, Xiao-Jing; Wang, Chang-Sheng; Zhang, Lan-Cui","Two new estertin modified tungstosilicates: synthesis, catalytic activity and photoelectrochemical property.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7234","7244","10.1039/d0dt00217h","","","0.71073","MoKα","","0.0732","0.0454","","","0.1","0.1123","","","","","","1.04","","","","has coordinates,has disorder","252829","2020-10-21","18:00:00",""
"7704356","24.415","0.003","33.577","0.004","14.3325","0.0017","90","","109.104","0.002","90","","11102","2","296","2","296","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C9 H70 K Mn N15 Na2 O86 Si2 Sn W19 -","- C9 H42.5 K Mn N15 Na2 O86 Si2 Sn W19 -","- C36 H170 K4 Mn4 N60 Na8 O344 Si8 Sn4 W76 -","4","0.5","","Zhang, Yao; Li, Meng-Xuan; Hao, Qiang; Su, Fang; Zhu, Zai-Ming; Li, Jian-Sheng; Sang, Xiao-Jing; Wang, Chang-Sheng; Zhang, Lan-Cui","Two new estertin modified tungstosilicates: synthesis, catalytic activity and photoelectrochemical property.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7234","7244","10.1039/d0dt00217h","","","0.71073","MoKα","","0.0471","0.0351","","","0.0841","0.0899","","","","","","1.032","","","","has coordinates,has disorder","252829","2020-10-21","18:00:00",""
"7704357","4.3066","0.0004","17.7428","0.0011","8.1657","0.0005","90","","102.475","0.007","90","","609.22","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 Cl N5 O -","- C11 H12 Cl N5 O -","- C22 H24 Cl2 N10 O2 -","2","1","","Cukierman, Daphne S.; Lázaro, Diana F; Sacco, Pamela; Ferreira, Patrícia R; Diniz, Renata; Fernández, Claudio O; Outeiro, Tiago F.; Rey, Nicolás A","X1INH, an improved next-generation affinity-optimized hydrazonic ligand, attenuates abnormal copper(I)/copper(II)-α-Syn interactions and affects protein aggregation in a cellular model of synucleinopathy.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16252","16267","10.1039/d0dt01138j","","x-ray","0.71073","MoKα","","0.0815","0.0493","","","0.0919","0.1077","","","","","","1.047","","","","has coordinates","288221","2023-12-11","22:20:44",""
"7704358","11.7759","0.0002","12.0484","0.0002","13.1386","0.0002","100.481","0.001","106.242","0.001","117.299","0.001","1481.55","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 O2 P2 Ru -","- C31 H48 O2 P2 Ru -","- C62 H96 O4 P4 Ru2 -","2","1","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.0239","0.0201","","","0.0473","0.0488","","","","","","1.039","","","","has coordinates","252832","2020-10-21","18:00:00",""
"7704359","12.9706","0.0003","16.5597","0.0003","31.8663","0.0007","90","","99.524","0.001","90","","6750.2","0.2","99","2","99","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H31.5 B0.5 Cl0 F12 O P Ru0.5 -","- C31.5 H31.5 B0.5 F12 O P Ru0.5 -","- C252 H252 B4 F96 O8 P8 Ru4 -","8","2","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.0532","0.0418","","","0.1026","0.1098","","","","","","1.028","","","","has coordinates,has disorder","252832","2020-10-21","18:00:00",""
"7704360","10.5466","0.0008","11.631","0.0008","27.2772","0.0019","90","","98.329","0.003","90","","3310.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 O2.5 P2 Ru -","- C33 H56 O2.5 P2 Ru -","- C132 H224 O10 P8 Ru4 -","4","1","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.0297","0.0251","","","0.0564","0.0584","","","","","","1.026","","","","has coordinates,has disorder","252832","2020-10-21","18:00:00",""
"7704361","11.911","0.0003","12.8598","0.0003","23.657","0.0005","90","","98.835","0.001","90","","3580.62","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 B Cl2 F4 O2 P2 Ru -","- C32 H51 B Cl2 F4 O2 P2 Ru -","- C128 H204 B4 Cl8 F16 O8 P8 Ru4 -","4","1","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.038","0.036","","","0.0766","0.0775","","","","","","1.253","","","","has coordinates,has disorder","252832","2020-10-21","18:00:00",""
"7704362","13.075","0.014","7.672","0.008","17.79","0.02","90","","98.93","0.03","90","","1763","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl0.67 Cu0.33 H Li0.67 O2.17 Se0.67 -","- Cl0.666667 Cu0.333333 H Li0.666667 O2.16667 Se0.666667 -","- Cl16 Cu8 H24 Li16 O52 Se16 -","24","3","","Markovski, Mishel R.; Siidra, Oleg I.; Charkin, Dmitri O.; Vladimirova, Victoria A.; Tsirlin, Alexander A.; Grishaev, Vasili Yu","Li<sub>2</sub>(Se<sub>2</sub>O<sub>5</sub>)(H<sub>2</sub>O)<sub>1.5</sub>·CuCl<sub>2</sub>, a salt-inclusion diselenite structurally based on tetranuclear Li<sub>4</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7790","7795","10.1039/d0dt01260b","","","0.71073","MoKα","","0.0527","0.0329","","","0.0655","0.0733","","","","","","1.015","","","","has coordinates","253913","2020-10-21","18:00:00",""
"7704363","11.3259","0.0008","13.2252","0.0009","14.6526","0.0013","67.349","0.007","76.175","0.007","65.591","0.007","1836.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Co N5 O8 -","- C44 H31 Co N5 O8 -","- C88 H62 Co2 N10 O16 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","0.71073","MoKα","","0.0946","0.0582","","","0.1121","0.1339","","","","","","1.05","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704364","9.0097","0.0004","12.2876","0.0005","14.01","0.0007","98.691","0.004","103.242","0.004","94.766","0.003","1481.23","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N6 O22 Zn2 -","- C60 H58 N6 O22 Zn2 -","- C60 H58 N6 O22 Zn2 -","1","0.5","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0382","0.034","","","0.0972","0.1015","","","","","","1.053","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704365","6.1632","0.0004","12.265","0.0007","24.6163","0.0017","95.914","0.005","93.921","0.005","101.777","0.005","1804.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H66 N8 Ni2 O16 -","- C88 H62 N8 Ni2 O16 -","- C88 H62 N8 Ni2 O16 -","1","0.5","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.1112","0.0736","","","0.1989","0.2336","","","","","","1.064","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704366","6.9066","0.0008","9.3698","0.0008","14.8244","0.0009","74.751","0.006","85.796","0.007","82.493","0.008","916.87","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Fe N O8 -","- C20 H13 Fe N O8 -","- C40 H26 Fe2 N2 O16 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","0.71073","MoKα","","0.0562","0.0418","","","0.0967","0.1093","","","","","","1.032","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704367","6.9985","0.0006","9.2423","0.0013","21.235","0.002","91.236","0.01","91.092","0.008","105.276","0.01","1324.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Co N3 O9 -","- C30 H25 Co N3 O9 -","- C60 H50 Co2 N6 O18 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","0.71073","MoKα","","0.173","0.0868","","","0.1597","0.2158","","","","","","1.022","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704368","9.1466","0.0007","9.5909","0.0007","13.2159","0.001","84.013","0.006","78.778","0.007","77.986","0.007","1109.82","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 N5 O6 Zn -","- C26 H17 N5 O6 Zn -","- C52 H34 N10 O12 Zn2 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0333","0.0286","","","0.0724","0.076","","","","","","1.05","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704369","17.6863","0.0004","17.2313","0.0003","18.248","0.0003","90","","108.186","0.002","90","","5283.43","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N3 O6 Zn -","- C32 H19 N3 O6 Zn -","- C256 H152 N24 O48 Zn8 -","8","2","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0627","0.0486","","","0.1338","0.1515","","","","","","1.024","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704370","11.3784","0.0007","13.1996","0.0008","14.5453","0.0009","67.404","0.006","76.097","0.005","65.856","0.006","1831.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 N5 Ni O8 -","- C44 H31 N5 Ni O8 -","- C88 H62 N10 Ni2 O16 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0555","0.0388","","","0.094","0.1054","","","","","","1.018","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704371","9.4017","0.0013","10.8041","0.0018","14.535","0.0016","105.013","0.012","99.708","0.011","107.961","0.014","1306","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Mn3 N6 O16 -","- C60 H40 Mn3 N6 O16 -","- C60 H40 Mn3 N6 O16 -","1","0.5","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54184","CuKα","","0.0926","0.0826","","","0.207","0.2285","","","","","","1.001","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704372","24.901","0.005","24.48","0.005","26.342","0.005","90","","90","","90","","16057","6","193.15","","193.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C172 H128 Ag4 Cl4 N2 O P4 Pt4 -","- C172 H128 Ag4 Cl4 N2 O P4 Pt4 -","- C688 H512 Ag16 Cl16 N8 O4 P16 Pt16 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.71073","MoKα","","0.0628","0.0618","","","0.1657","0.1664","","","","","","1.185","","","","has coordinates,has disorder","253861","2020-10-21","18:00:00",""
"7704373","18.249","0.004","14.605","0.003","27.333","0.006","90","","91.31","0.03","90","","7283","3","77","2","77","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C179 H140 Ag4 Cl2 N2 P4 Pt4 -","- C179 H140 Ag4 Cl2 N2 P4 Pt4 -","- C358 H280 Ag8 Cl4 N4 P8 Pt8 -","2","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.72","synchrotron","","0.0494","0.0484","","","0.1449","0.1451","","","","","","1.143","","","","has coordinates","253861","2020-10-21","18:00:00",""
"7704374","23.599","0.005","37.492","0.007","19.73","0.004","90","","90","","90","","17457","6","193","2","193","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C208 H148 Cl4 Cu0 N4 O2 P8 Pt4 -","- C208 H148 Cl4 N4 O2 P8 Pt4 -","- C832 H592 Cl16 N16 O8 P32 Pt16 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.72","synchrotron","","0.0685","0.0627","","","0.1729","0.1762","","","","","","1.077","","","","has coordinates","253861","2020-10-21","18:00:00",""
"7704375","32.222","0.006","16.172","0.003","20.802","0.004","90","","92.77","0.03","90","","10827","4","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C123 H112 Au0 Cl2 N4 O0 P4 Pt2 -","- C123 H112 Cl2 N4 P4 Pt2 -","- C492 H448 Cl8 N16 P16 Pt8 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.72","synchrotron","","0.0382","0.0375","","","0.1068","0.1081","","","","","","1.056","","","","has coordinates","253861","2020-10-21","18:00:00",""
"7704376","11.1122","0.001","17.1592","0.0017","18.425","0.002","90","","100.195","0.004","90","","3457.7","0.6","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Co N2 O5 -","- C33 H43 Co N2 O5 -","- C132 H172 Co4 N8 O20 -","4","1","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.1341","0.0675","","","0.1845","0.2308","","","","","","0.944","","","","has coordinates","253911","2020-10-21","18:00:00",""
"7704377","11.942","0.002","24.391","0.005","18.91","0.004","90","","96.75","0.03","90","","5469.9","1.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H156 Co2 N8 O10 Sm2 -","- C116 H156 Co2 N8 O10 Sm2 -","- C232 H312 Co4 N16 O20 Sm4 -","2","0.5","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.0533","0.039","","","0.0927","0.1008","","","","","","1.04","","","","has coordinates","253911","2020-10-21","18:00:00",""
"7704378","12.205","0.002","14.11","0.003","18.032","0.004","82.87","0.03","77.96","0.03","68.54","0.03","2822.6","1.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H78 Co N4 O5 Yb -","- C58 H78 Co N4 O5 Yb -","- C116 H156 Co2 N8 O10 Yb2 -","2","1","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.0378","0.0258","","","0.0526","0.0549","","","","","","0.968","","","","has coordinates","253911","2020-10-21","18:00:00",""
"7704379","17.4276","0.0004","20.8564","0.0003","18.053","0.0004","90","","93.692","0.002","90","","6548.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H172 Fe3 N8 O11 Sm2 -","- C139 H172 Fe3 N8 O11 Sm2 -","- C278 H344 Fe6 N16 O22 Sm4 -","2","0.5","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.0418","0.0349","","","0.0942","0.0971","","","","","","1.053","","","","has coordinates,has disorder","253911","2020-10-21","18:00:00",""
"7704380","12.0983","0.00017","12.74775","0.00018","20.3042","0.0003","106.157","0.0012","100.57","0.0012","91.9771","0.0011","2944.55","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H39 B F24 N5 Rh -","- C63 H39 B F24 N5 Rh -","- C126 H78 B2 F48 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0331","0.0309","","","0.0789","0.0804","","","","","","1.051","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704381","11.99374","0.00014","12.79924","0.00016","20.3888","0.0002","106.139","0.0011","100.402","0.001","91.6652","0.001","2946.72","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H37 B F26 N5 Rh -","- C63 H37 B F26 N5 Rh -","- C126 H74 B2 F52 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0324","0.0303","","","0.0768","0.0776","","","","","","1.043","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704382","12.68561","0.00011","27.25348","0.00015","18.40461","0.00013","90","","106.875","0.0008","90","","6088.98","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H37 B F26 N5 Rh -","- C63 H37 B F26 N5 Rh -","- C252 H148 B4 F104 N20 Rh4 -","4","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0535","0.0494","","","0.1207","0.1234","","","","","","1.038","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704383","12.8386","0.0003","13.1411","0.0003","18.6851","0.0004","107.313","0.0018","99.054","0.0018","97.382","0.0017","2920.26","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H35 B Cl2 F24 N5 Rh -","- C58 H35 B Cl2 F24 N5 Rh -","- C116 H70 B2 Cl4 F48 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","0.71073","MoKα","","0.0508","0.043","","","0.0964","0.1017","","","","","","1.017","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704384","12.0141","0.0002","12.6951","0.0003","20.5019","0.0004","106.123","0.0018","99.7261","0.0017","91.3253","0.0016","2952.67","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H37 B F26 N5 Rh -","- C63 H37 B F26 N5 Rh -","- C126 H74 B2 F52 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0323","0.0311","","","0.0787","0.0794","","","","","","1.014","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704385","12.05682","0.00013","12.73132","0.00013","20.3856","0.0002","106.163","0.0009","100.195","0.0009","91.666","0.0009","2947.87","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H38 B F25 N5 Rh -","- C63 H38 B F25 N5 Rh -","- C126 H76 B2 F50 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0358","0.0318","","","0.0814","0.0825","","","","","","1.04","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704386","12.7592","0.0015","13.6618","0.0017","18.171","0.002","107.544","0.002","105.251","0.002","98.746","0.002","2820.1","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 N9 O4 S6 Zn -","- C56 H65 N9 O4 S6 Zn -","- C112 H130 N18 O8 S12 Zn2 -","2","1","","Ballesteros Ii, Moises; Tsui, Emily Y.","Sulfur transfer reactions of a zinc tetrasulfanido complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16305","16311","10.1039/d0dt01384f","","","0.71073","MoKα","","0.0598","0.043","","","0.1102","0.1205","","","","","","1.033","","","","has coordinates","260779","2021-01-07","06:28:52",""
"7704387","8.8573","0.001","9.1035","0.001","25.109","0.003","80.268","0.002","86.33","0.002","61.618","0.001","1755.3","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 N2 O8 S4 Zn -","- C28 H52 N2 O8 S4 Zn -","- C56 H104 N4 O16 S8 Zn2 -","2","1","","Ballesteros Ii, Moises; Tsui, Emily Y.","Sulfur transfer reactions of a zinc tetrasulfanido complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16305","16311","10.1039/d0dt01384f","","","0.71073","MoKα","","0.0233","0.0207","","","0.0517","0.0531","","","","","","1.024","","","","has coordinates","260779","2021-01-07","06:28:52",""
"7704388","11.127","0.0008","16.8656","0.0012","13.2685","0.0009","90","","112.292","0.002","90","","2303.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 La O15 -","- C23 H17 La O15 -","- C92 H68 La4 O60 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.078","0.0473","","","0.0899","0.0999","","","","","","1.04","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704389","11.0093","0.0006","16.7313","0.0009","13.0739","0.0008","90","","112.039","0.0014","90","","2232.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Eu O15 -","- C23 H17 Eu O15 -","- C92 H68 Eu4 O60 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0765","0.044","","","0.062","0.07","","","","","","1.014","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704390","11.0859","0.0009","16.7946","0.0011","13.1735","0.001","90","","112.126","0.0019","90","","2272.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Nd O15 -","- C23 H17 Nd O15 -","- C92 H68 Nd4 O60 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0886","0.0489","","","0.0863","0.1278","","","","","","1.014","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704391","11.0358","0.0008","16.7709","0.0011","13.1223","0.0009","90","","112.047","0.0017","90","","2251.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 O15 Sm -","- C23 H17 O15 Sm -","- C92 H68 O60 Sm4 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0776","0.0424","","","0.0673","0.077","","","","","","0.982","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704392","10.9945","0.0007","16.7248","0.0011","13.0563","0.0008","90","","112.027","0.001","90","","2225.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 O15 Tb -","- C23 H17 O15 Tb -","- C92 H68 O60 Tb4 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0772","0.0412","","","0.0584","0.0722","","","","","","1.05","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704393","4.15427","0.00003","4.15427","0.00003","9.2183","0.0001","90","","90","","90","","159.089","0.002","293","","293","","","","100","","","","solid state reaction","4","P 4/n m m :2","-P 4a 2a","129","EuAgSeF","EuAgSeF","","- Ag Eu F Se -","- Ag Eu F Se -","- Ag2 Eu2 F2 Se2 -","2","0.125","","Plokhikh, Igor V.; Tsirlin, Alexander A.; Heletta, Lukas; Klenner, Steffen; Charkin, Dmitri O.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.; Pöttgen, Rainer; Pfitzner, Arno","Synthesis, electronic structure and physical properties of two new layered compounds, EuFAgSe and EuFAg<sub>1-δ</sub>Te, featuring the active redox pair Eu<sup>2+</sup>/Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7426","7435","10.1039/d0dt01504k","powder diffraction","x-ray","0.7093","MoKα~1~","","0.0276","0.0219","","0.0253","0.0241","","","","2.04","","","","","","","has coordinates","253871","2020-10-21","18:00:00",""
"7704394","4.32552","0.00004","4.32552","0.00004","9.54858","0.00011","90","","90","","90","","178.655","0.003","293","","293","","","","100","","","","solid state reaction","4","P 4/n m m :1","P 4ab 2ab -1ab","129","EuAgTeF","EuAgTeF","","- Ag0.948 Eu F Te -","- Ag0.948 Eu F Te -","- Ag1.896 Eu2 F2 Te2 -","2","0.125","","Plokhikh, Igor V.; Tsirlin, Alexander A.; Heletta, Lukas; Klenner, Steffen; Charkin, Dmitri O.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.; Pöttgen, Rainer; Pfitzner, Arno","Synthesis, electronic structure and physical properties of two new layered compounds, EuFAgSe and EuFAg<sub>1-δ</sub>Te, featuring the active redox pair Eu<sup>2+</sup>/Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7426","7435","10.1039/d0dt01504k","powder diffraction","x-ray","0.7093","MoKα~1~","","0.0226","0.0195","","0.0227","0.0219","","","","1.6","","","","","","","has coordinates","253871","2020-10-21","18:00:00",""
"7704395","24.9627","0.0011","24.9627","0.0011","20.5795","0.0011","90","","90","","120","","11105.8","0.9","293.15","","293.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C84 H60 Fe3 N6 -","- C84 H60 Fe3 N6 -","- C504 H360 Fe18 N36 -","6","0.333333","","Kasprzak, Artur; Guńka, Piotr A","A ferrocene-templated Pd-bearing molecular reactor.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6974","6979","10.1039/d0dt01366h","","x-ray","0.71073","MoKα","","0.0854","0.0467","","","0.0982","0.1154","","","","","","0.964","","","","has coordinates","252824","2020-10-21","18:00:00",""
"7704396","7.3908","0.0003","7.3908","0.0003","7.5568","0.0003","90","","90","","120","","357.48","0.02","296","","296","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F16 Fe3.28 O2.6 V2.72 -","- F16 Fe3.276 O2.60004 V2.724 -","- F16 Fe3.276 O2.60004 V2.724 -","1","0.0833333","","Lemoine, Kévin; Moury, Romain; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Tarascon, Jean-Marie; Maisonneuve, Vincent","Stabilization of a mixed iron vanadium based hexagonal tungsten bronze hydroxyfluoride HTB-(Fe<sub>0.55</sub>V<sub>0.45</sub>)F<sub>2.67</sub>(OH)<sub>0.33</sub> as a positive electrode for lithium-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8186","8193","10.1039/d0dt01310b","powder diffraction","","1.78901","CoKα","","","","","","","","","8.6297","1.3557","","","","","","","has coordinates","253869","2020-10-21","18:00:00",""
"7704397","7.5835","0.0003","7.4814","0.0003","7.5269","0.0003","90","","119.925","0.003","90","","370.11","0.03","296","","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F8 Fe1.64 O2 V1.36 -","- F8 Fe1.64 O2 V1.36 -","- F16 Fe3.28 O4 V2.72 -","2","0.25","","Lemoine, Kévin; Moury, Romain; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Tarascon, Jean-Marie; Maisonneuve, Vincent","Stabilization of a mixed iron vanadium based hexagonal tungsten bronze hydroxyfluoride HTB-(Fe<sub>0.55</sub>V<sub>0.45</sub>)F<sub>2.67</sub>(OH)<sub>0.33</sub> as a positive electrode for lithium-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8186","8193","10.1039/d0dt01310b","powder diffraction","","1.5406","CuKα","","","","","","","","","3.9346","1.4751","","","","","","","has coordinates","253869","2020-10-21","18:00:00",""
"7704398","33.692","0.0004","10.7045","0.0001","16.4568","0.0002","90","","92.674","0.001","90","","5928.78","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 F18 Fe2 O19.5 Zn -","- C12 H8 F18 Fe2 O19.5 Zn -","- C96 H64 F144 Fe16 O156 Zn8 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0528","0.0511","","","0.1353","0.1371","","","","","","1.019","","","","has coordinates,has disorder","260778","2021-01-07","06:28:29",""
"7704399","10.5655","0.0001","11.5802","0.0002","19.9032","0.0001","92.634","0.001","97.241","0.001","111.913","0.001","2229.74","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 F18 Fe2 Ni O21 -","- C24 H32 F18 Fe2.001 Ni0.999 O21 -","- C48 H64 F36 Fe4.002 Ni1.998 O42 -","2","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0571","0.0522","","","0.1404","0.1444","","","","","","1.053","","","","has coordinates,has disorder","260778","2021-01-07","06:28:32",""
"7704400","33.7504","0.0003","10.7155","0.0001","16.4299","0.0002","90","","92.853","0.001","90","","5934.55","0.11","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 F18 Fe3 O19.5 -","- C12 H8 F18 Fe3 O19.5 -","- C96 H64 F144 Fe24 O156 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0503","0.0477","","","0.1325","0.1347","","","","","","1.079","","","","has coordinates,has disorder","260778","2021-01-07","06:28:32",""
"7704401","33.6407","0.0008","10.6483","0.0003","16.528","0.0004","90","","93.306","0.002","90","","5910.7","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cu F18 Fe2 O19.5 -","- C12.001 H8 Cu F18.003 Fe2 O19.5005 -","- C96.008 H64 Cu8 F144.024 Fe16 O156.004 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","0.71073","MoKα","","0.0516","0.0448","","","0.0934","0.0957","","","","","","1.15","","","","has coordinates,has disorder","260778","2021-01-07","06:28:42",""
"7704402","33.6911","0.0003","10.7211","0.0002","16.4167","0.0002","90","","92.606","0.001","90","","5923.67","0.14","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Co F18 Fe2 O19.5 -","- C12 H8 Co F18 Fe2 O19.5005 -","- C96 H64 Co8 F144 Fe16 O156.004 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0561","0.0545","","","0.1499","0.1516","","","","","","1.06","","","","has coordinates,has disorder","260778","2021-01-07","06:28:44",""
"7704403","15.182","0.003","20.962","0.004","13.078","0.003","90","","92.72","0.013","90","","4157.3","1.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 Li N8 O8 -","- C48 H49 Li N8 O8 -","- C192 H196 Li4 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.2038","0.0741","","","0.1245","0.1746","","","","","","0.9833","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704404","21.508","0.003","24.769","0.004","9.0646","0.0014","90","","110.69","0.009","90","","4517.6","1.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 Fe N8 O8 -","- C54 H48 Fe N8 O8 -","- C216 H192 Fe4 N32 O32 -","4","0.5","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.0887","0.0539","","","0.1284","0.1458","","","","","","1.04","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704405","15.1518","0.0016","20.927","0.002","13.0887","0.0013","90","","92.599","0.007","90","","4145.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N8 O8 -","- C48 H50 N8 O8 -","- C192 H200 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1647","0.057","","","0.1089","0.1342","","","","","","0.835","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704406","12.439","0.005","29.787","0.011","13.837","0.005","90","","100.338","0.009","90","","5044","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Fe N8 O8 -","- C60 H60 Fe N8 O8 -","- C240 H240 Fe4 N32 O32 -","4","0.5","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.2155","0.069","","","0.1415","0.1907","","","","","","0.924","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704407","17.115","0.003","21.523","0.004","27.618","0.005","90","","90","","90","","10174","3","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H60 Cl2 N8 O10 V -","- C53 H60 Cl2 N8 O10 V -","- C424 H480 Cl16 N64 O80 V8 -","8","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.0475","0.0385","","","0.1006","0.1072","","","","","","1.049","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704408","15.0873","0.0009","19.2617","0.0011","16.4895","0.0009","90","","97.573","0.003","90","","4750.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 N8 Ni O8 -","- C50 H52 Cl4 N8 Ni O8 -","- C200 H208 Cl16 N32 Ni4 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.0673","0.0414","","","0.0919","0.1053","","","","","","0.9","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704409","32.759","0.002","24.05","0.003","22.8653","0.0015","90","","134.27","","90","","12899","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H95.75 Cr N8 O13 -","- C69 H74 Cr N8 O13 -","- C552 H592 Cr8 N64 O104 -","8","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1399","0.0949","","","0.2722","0.3086","","","","","","1.075","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704410","15.08","0.004","19.284","0.006","16.581","0.005","90","","97.719","0.018","90","","4778","2","126","2","126","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 Cu N8 O8 -","- C50 H52 Cl4 Cu N8 O8 -","- C200 H208 Cl16 Cu4 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1193","0.0625","","","0.1501","0.1821","","","","","","0.927","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704411","15.072","0.008","19.377","0.008","16.392","0.005","90","","97.374","0.014","90","","4748","4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 Co N8 O8 -","- C50 H52 Cl4 Co N8 O8 -","- C200 H208 Cl16 Co4 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1416","0.0612","","","0.1106","0.1386","","","","","","0.968","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704412","8.5221","0.0007","18.6073","0.0014","11.5804","0.0008","90","","90.784","0.002","90","","1836.2","0.2","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","0.71073","MoKα","","0.0563","0.049","","","0.14","0.1479","","","","","","1.035","","","","has coordinates","260781","2021-01-07","06:29:12",""
"7704413","8.0842","0.0004","11.3339","0.0005","26.9495","0.0013","90","","91.201","0.004","90","","2468.7","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","2","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","1.54178","CuKα","","0.0871","0.0625","","","0.1665","0.1817","","","","","","1.128","","","","has coordinates","260781","2021-01-07","06:29:12",""
"7704414","11.9548","0.0005","11.976","0.0005","14.6392","0.0007","85.735","0.002","70.006","0.002","60.546","0.001","1703.72","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","1.54178","CuKα","","0.0404","0.0384","","","0.1006","0.103","","","","","","1.029","","","","has coordinates","260781","2021-01-07","06:29:12",""
"7704415","20.36","0.0011","21.1957","0.0011","23.9825","0.0013","81.376","0.003","71.855","0.003","68.009","0.003","9112.8","0.9","109","2","109","2","","","","","","","","5","P -1","-P 1","2","","","","- C303.74 H272.41 Cu12 N24.93 O64 -","- C303.736 H272.406 Cu12 N24.934 O64 -","- C303.736 H272.406 Cu12 N24.934 O64 -","1","0.5","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","1.54178","CuKα","","0.1139","0.0849","","","0.2405","0.2718","","","","","","1.035","","","","has coordinates,has disorder","260781","2021-01-07","06:29:12",""
"7704416","13.1936","0.0004","13.4238","0.0005","18.4168","0.0006","95.402","0.002","94.625","0.002","98.023","0.002","3200.92","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H71 B2 Co N7 -","- C79 H71 B2 Co N7 -","- C158 H142 B4 Co2 N14 -","2","1","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.1032","0.0454","","","0.1082","0.1446","","","","","","1.003","","","","has coordinates","253889","2020-10-21","18:00:00",""
"7704417","18.1032","0.0015","13.331","0.0011","29.071","0.002","90","","90","","90","","7015.8","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H33 Cl2 Co N7 O9 -","- C31 H31 Cl2 Co N7 O9 -","- C248 H248 Cl16 Co8 N56 O72 -","8","1","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.1475","0.0653","","","0.127","0.1534","","","","","","1.032","","","","has coordinates,has disorder","253889","2020-10-21","18:00:00",""
"7704418","20.6301","0.0011","17.5943","0.001","19.326","0.0011","90","","90","","90","","7014.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H31 Co F12 N7 P2 -","- C31 H31 Co F12 N7 P2 -","- C248 H248 Co8 F96 N56 P16 -","8","2","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.08","0.0545","","","0.1411","0.1592","","","","","","1.104","","","","has coordinates","253889","2020-10-21","18:00:00",""
"7704419","36.052","0.007","10.495","0.002","35.315","0.006","90","","113.603","0.01","90","","12244","4","170","2","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H50 B2 F8 Fe N4 P2 -","- C58 H50 B2 F8 Fe N4 P2 -","- C464 H400 B16 F64 Fe8 N32 P16 -","8","1","","Huo, Shangfei; Wang, Qingwei; Zuo, Weiwei","An iron variant of the Noyori hydrogenation catalyst for the asymmetric transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7959","7967","10.1039/d0dt01204a","","","1.34139","GaKα","","0.1906","0.0989","","","0.2082","0.2778","","","","","","0.7","","","","has coordinates,has disorder","253920","2020-10-21","18:00:00",""
"7704420","22.13","0.03","23.55","0.04","20.35","0.03","90","","96.071","0.017","90","","10546","3","114","2","114.51","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 Dy3 N5 Ni5 O46 -","- C80 H94 Dy3 N5 Ni5 O48 -","- C320 H376 Dy12 N20 Ni20 O192 -","4","0.5","","Bhanja, Avik; Moreno-Pineda, Eufemio; Herchel, Radovan; Wernsdorfer, Wolfgang; Ray, Debashis","Self-assembled octanuclear [Ni<sub>5</sub>Ln<sub>3</sub>] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7968","7976","10.1039/d0dt01675f","","","0.71073","MoKα","","0.0828","0.0465","","","0.1036","0.1175","","","","","","1.036","","","","has coordinates,has disorder","253909","2020-10-21","18:00:00",""
"7704421","22.194","0.003","23.629","0.003","20.418","0.003","90","","96.094","0.004","90","","10647","3","114.51","","114.51","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 N5 Ni5 O46 Tb3 -","- C80 H106 N5 Ni5 O46 Tb3 -","- C320 H424 N20 Ni20 O184 Tb12 -","4","0.5","","Bhanja, Avik; Moreno-Pineda, Eufemio; Herchel, Radovan; Wernsdorfer, Wolfgang; Ray, Debashis","Self-assembled octanuclear [Ni<sub>5</sub>Ln<sub>3</sub>] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7968","7976","10.1039/d0dt01675f","","","0.71073","MoKα","","0.0798","0.0662","","","0.177","0.197","","","","","","1.042","","","","has coordinates,has disorder","253909","2020-10-21","18:00:00",""
"7704422","22.15","0.03","23.57","0.04","20.37","0.03","90","","96.081","0.017","90","","10575","3","114","2","114.51","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 Ho3 N5 Ni5 O46 -","- C80 H102 Ho3 N5 Ni5 O46 -","- C320 H408 Ho12 N20 Ni20 O184 -","4","0.5","","Bhanja, Avik; Moreno-Pineda, Eufemio; Herchel, Radovan; Wernsdorfer, Wolfgang; Ray, Debashis","Self-assembled octanuclear [Ni<sub>5</sub>Ln<sub>3</sub>] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7968","7976","10.1039/d0dt01675f","","","0.71073","MoKα","","0.0623","0.041","","","0.0856","0.092","","","","","","0.986","","","","has coordinates,has disorder","253909","2020-10-21","18:00:00",""
"7704423","9.8438","0.0002","18.8552","0.0003","28.4652","0.0005","90","","93.139","0.001","90","","5275.41","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H31 Cd2 Cl N4 O13 -","- C47 H31 Cd2 Cl N4 O13 -","- C188 H124 Cd8 Cl4 N16 O52 -","4","1","","Li, Peng; Guo, Meng-Yue; Gao, Lu-Lu; Yin, Xue-Mei; Yang, Shuai-Liang; Bu, Ran; Gao, En-Qing","Photoresponsivity and antibiotic sensing properties of an entangled tris(pyridinium)-based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7488","7495","10.1039/d0dt00397b","","","1.54178","CuKα","","0.0834","0.0762","","","0.2148","0.22","","","","","","1.096","","","","has coordinates,has disorder","253881","2020-10-21","18:00:00",""
"7704424","11.628","0.003","11.773","0.003","17.46","0.004","105.674","0.007","103.463","0.007","102.418","0.007","2137.2","0.9","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C45 H42 N2 O6 P2 Ru -","- C45 H42 N2 O6 P2 Ru -","- C90 H84 N4 O12 P4 Ru2 -","2","1","","Lovison, Denise; Allegri, Lorenzo; Baldan, Federica; Ballico, Maurizio; Damante, Giuseppe; Jandl, Christian; Baratta, Walter","Cationic carboxylate and thioacetate ruthenium(ii) complexes: synthesis and cytotoxic activity against anaplastic thyroid cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8375","8388","10.1039/d0dt01390k","","x-ray","0.71073","MoKα","","0.0577","0.0399","","","0.0916","0.1025","","","","","","1.095","","","","has coordinates,has disorder","253863","2020-10-21","18:00:00",""
"7704425","14.9335","0.0009","15.2819","0.0009","19.059","0.0012","80.178","0.002","67.601","0.002","83.202","0.002","3955.6","0.4","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C43 H36 N4 O P2 Ru S2 -","- C42.9995 H36 N3.9995 O P2 Ru S1.9995 -","- C171.998 H144 N15.998 O4 P8 Ru4 S7.998 -","4","2","","Lovison, Denise; Allegri, Lorenzo; Baldan, Federica; Ballico, Maurizio; Damante, Giuseppe; Jandl, Christian; Baratta, Walter","Cationic carboxylate and thioacetate ruthenium(ii) complexes: synthesis and cytotoxic activity against anaplastic thyroid cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8375","8388","10.1039/d0dt01390k","","x-ray","0.71073","MoKα","","0.0342","0.0293","","","0.0778","0.0809","","","","","","1.083","","","","has coordinates,has disorder","253863","2020-10-21","18:00:00",""
"7704426","7.3572","0.0003","12.3495","0.0005","24.1793","0.0009","90","","92.552","0.002","90","","2194.7","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(fenbzEttsc)]","","","- C25 H21 N5 O Pt S -","- C25 H21 N5 O Pt S -","- C100 H84 N20 O4 Pt4 S4 -","4","1","","Gonçalves, Ana C R; Rettondin, Andressa R.; Oliveira, Carolina G.; Patrocinio, Antonio O. T.; Machado, Antonio E. H.; Deflon, Victor M.; Abram, Ulrich; Maia, Pedro I. S.","Intramolecular C(sp<sup>2</sup>)-C (sp<sup>2</sup>) bond formation between phenanthroline and β-diketone thiosemicarbazones in Pt<sup>II</sup> complexes: crystal structures and computational studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9564","9567","10.1039/d0dt00367k","","","0.71073","MoKα","","0.0474","0.0293","","","0.0768","0.0899","","","","","","1.019","","","","has coordinates","254956","2020-10-21","18:00:00",""
"7704427","12.738","0.0004","14.3284","0.0005","14.5859","0.0005","69.471","0.002","85.039","0.002","77.604","0.002","2434.78","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 N5 O Pt S -","- C29 H21 N5 O Pt S -","- C116 H84 N20 O4 Pt4 S4 -","4","2","","Gonçalves, Ana C R; Rettondin, Andressa R.; Oliveira, Carolina G.; Patrocinio, Antonio O. T.; Machado, Antonio E. H.; Deflon, Victor M.; Abram, Ulrich; Maia, Pedro I. S.","Intramolecular C(sp<sup>2</sup>)-C (sp<sup>2</sup>) bond formation between phenanthroline and β-diketone thiosemicarbazones in Pt<sup>II</sup> complexes: crystal structures and computational studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9564","9567","10.1039/d0dt00367k","","","0.71073","MoKα","","0.0489","0.0296","","","0.0553","0.0614","","","","","","1.023","","","","has coordinates","254956","2020-10-21","18:00:00",""
"7704428","16.5825","0.0012","7.2695","0.0005","16.6064","0.0011","90","","109.608","0.001","90","","1885.8","0.2","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H33 Al O Si2 -","- C13 H33 Al O Si2 -","- C52 H132 Al4 O4 Si8 -","4","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0485","0.0347","","","0.0819","0.0882","","","","","","1.05","","","","has coordinates","253917","2020-10-21","18:00:00",""
"7704429","11.7206","0.0006","15.8089","0.0009","19.1136","0.001","84.989","0.003","89.272","0.003","79.97","0.003","3474.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H108 Cl4 Li2 O4 Sc2 Si8 -","- C44 H108 Cl4 Li2 O4 Sc2 Si8 -","- C88 H216 Cl8 Li4 O8 Sc4 Si16 -","2","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0874","0.0447","","","0.0851","0.0973","","","","","","1.007","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704430","23.659","0.004","12.098","0.002","34.338","0.006","90","","98.579","0.004","90","","9718","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H84 Li O3 Sc Si6 -","- C34 H84 Li O3 Sc Si6 -","- C272 H672 Li8 O24 Sc8 Si48 -","8","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.1077","0.0561","","","0.1169","0.138","","","","","","1.018","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704431","13.3428","0.0003","17.6787","0.0004","18.805","0.0004","90","","125.571","0.001","90","","3608.05","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H120 Li2 O4 Sc2 Si8 -","- C48 H120 Li2 O4 Sc2 Si8 -","- C96 H240 Li4 O8 Sc4 Si16 -","2","0.5","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0694","0.0481","","","0.1261","0.1406","","","","","","1.026","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704432","12.3059","0.0009","13.2573","0.0009","13.4567","0.001","117.844","0.002","103.659","0.002","101.026","0.002","1766.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H110 O6 Sc2 -","- C79 H110 O6 Sc2 -","- C79 H110 O6 Sc2 -","1","0.5","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0487","0.0395","","","0.1021","0.1091","","","","","","1.042","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704433","11.9397","0.0019","12.83","0.002","17.909","0.003","96.181","0.002","90.239","0.002","116.57","0.002","2435.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H81 Cl Li O3 Sc Si6 -","- C33 H81 Cl Li O3 Sc Si6 -","- C66 H162 Cl2 Li2 O6 Sc2 Si12 -","2","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0892","0.0698","","","0.1995","0.2148","","","","","","1.07","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704434","18.6814","0.0019","10.5353","0.0009","14.8709","0.0014","90","","109.241","0.003","90","","2763.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N3 Ni O7 -","- C30 H24 Cl N3 Ni O7 -","- C120 H96 Cl4 N12 Ni4 O28 -","4","1","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0808","0.0693","","","0.1995","0.2074","","","","","","1.191","","","","has coordinates","253885","2020-10-21","18:00:00",""
"7704435","12.2882","0.0013","19.219","0.002","19.786","0.002","87.747","0.003","77.34","0.003","77.49","0.003","4450.8","0.8","105","","105","","","","","","","","","6","P 1","P 1","1","","","","- C45 H38.5 Cl2 N11.5 Ni O8 -","- C45 H38.5 Cl2 N11.5 Ni O8 -","- C180 H154 Cl8 N46 Ni4 O32 -","4","4","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0475","0.0371","","","0.0769","0.0804","","","","","","1.029","","","","has coordinates,has disorder","253885","2020-10-21","18:00:00",""
"7704436","15.6762","0.0012","13.2879","0.0009","21.9128","0.0018","90","","91.405","0.003","90","","4563.1","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 Cl N4 Ni O6 -","- C22 H21 Cl N4 Ni O6 -","- C176 H168 Cl8 N32 Ni8 O48 -","8","1","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0464","0.0319","","","0.0722","0.0778","","","","","","1.031","","","","has coordinates","253885","2020-10-21","18:00:00",""
"7704437","9.9556","0.0002","11.6346","0.0004","14.2457","0.0004","110.337","0.003","91.439","0.002","113.304","0.003","1395.43","0.09","102","3","102","3","","","","","","","","6","P -1","-P 1","2","","[(TERPY)NiTbutyl-diketonate]ClO4","","- C26 H32 Cl N3 Ni O7 -","- C26 H32 Cl N3 Ni O7 -","- C52 H64 Cl2 N6 Ni2 O14 -","2","1","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.0774","0.0812","","","","","","1.053","","","","has coordinates","253885","2020-10-21","18:00:00",""
"7704438","14.2994","0.0006","18.5793","0.0006","23.5935","0.0007","68.714","0.003","78.174","0.003","73.182","0.003","5555.5","0.4","120","0.14","120","0.14","","","","","","","","8","P -1","-P 1","2","","","","- C112 H112 Cl4 Fe2 K2 N4 O20 S8 -","- C112 H112 Cl4 Fe2 K2 N4 O20 S8 -","- C224 H224 Cl8 Fe4 K4 N8 O40 S16 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Strong magnetic coupling of spins in Fe(ii) dimers with differently charged thioindigo ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7692","7696","10.1039/d0dt01262a","","","0.71073","MoKα","","0.1525","0.0687","","","0.1084","0.1359","","","","","","1.02","","","","has coordinates,has disorder","253910","2020-10-21","18:00:00",""
"7704439","8.1145","0.0002","11.1511","0.0003","26.8325","0.0007","90","","90","","90","","2427.95","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl2 N3 O Zn -","- C26 H27 Cl2 N3 O Zn -","- C104 H108 Cl8 N12 O4 Zn4 -","4","1","","Kokina, Tatyana E.; Rakhmanova, Marianna I.; Shekhovtsov, Nikita A.; Glinskaya, Ludmila A.; Komarov, Vladislav Y.; Agafontsev, Alexander M.; Baranov, Andrey Y.; Plyusnin, Pavel E.; Sheludyakova, Liliya A.; Tkachev, Alexey V.; Bushuev, Mark B.","Luminescent Zn(ii) and Cd(ii) complexes with chiral 2,2'-bipyridine ligands bearing natural monoterpene groups: synthesis, speciation in solution and photophysics.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7552","7563","10.1039/d0dt01438a","","","0.71073","MoKα","","0.0351","0.0293","","","0.0614","0.0634","","","","","","1.036","","","","has coordinates","253879","2020-10-21","18:00:00",""
"7704440","8.2814","0.0004","11.3343","0.0005","26.1739","0.001","90","","90","","90","","2456.78","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cd Cl2 N3 O -","- C26 H27 Cd Cl2 N3 O -","- C104 H108 Cd4 Cl8 N12 O4 -","4","1","","Kokina, Tatyana E.; Rakhmanova, Marianna I.; Shekhovtsov, Nikita A.; Glinskaya, Ludmila A.; Komarov, Vladislav Y.; Agafontsev, Alexander M.; Baranov, Andrey Y.; Plyusnin, Pavel E.; Sheludyakova, Liliya A.; Tkachev, Alexey V.; Bushuev, Mark B.","Luminescent Zn(ii) and Cd(ii) complexes with chiral 2,2'-bipyridine ligands bearing natural monoterpene groups: synthesis, speciation in solution and photophysics.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7552","7563","10.1039/d0dt01438a","","","0.71073","MoKα","","0.027","0.0243","","","0.0507","0.0518","","","","","","1.026","","","","has coordinates","253879","2020-10-21","18:00:00",""
"7704441","19.3177","0.0009","4.7632","0.0001","22.0266","0.0009","90","","115.372","0.005","90","","1831.27","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 I2 N2 O2 -","- C20 H14 I2 N2 O2 -","- C80 H56 I8 N8 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","K-L~3~","0.0488","0.0433","","","0.1049","0.1081","","","","","","1.109","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704442","6.9136","0.0002","35.5239","0.0012","7.4234","0.0002","90","","96.837","0.003","90","","1810.21","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H6 F10 N2 O2 -","- C20 H6 F10 N2 O2 -","- C80 H24 F40 N8 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","","0.0389","0.0338","","","0.1031","0.1058","","","","","","1.091","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704443","19.0305","0.0013","4.7498","0.0003","21.7414","0.0016","90","","104.946","0.007","90","","1898.7","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl4 N2 O2 -","- C20 H12 Cl4 N2 O2 -","- C80 H48 Cl16 N8 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","","0.0945","0.0476","","","0.0827","0.0972","","","","","","1.028","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704444","4.2221","0.0002","16.2083","0.001","26.3584","0.0017","90","","93.31","0.001","90","","1800.78","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 I2 N3 O2 -","- C19 H13 I2 N3 O2 -","- C76 H52 I8 N12 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","K-L~3~","0.0204","0.0188","","","0.0448","0.0458","","","","","","1.038","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704445","40.29774","0.00008","40.29774","0.00008","17.08786","0.00004","90","","90","","120","","24031.4","0.09","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C51 H78.5 F10 N5 O3.75 -","- C51 H77 F10 N5 O3 -","- C918 H1386 F180 N90 O54 -","18","3","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","1.54178","CuKα","","0.0288","0.0285","","","0.0798","0.0801","","","","","","1.025","","","","has coordinates,has disorder","254982","2020-10-21","18:00:00",""
"7704446","13.4534","0.0004","13.8945","0.0006","14.6955","0.0004","89.071","0.003","88.803","0.002","86.849","0.003","2741.94","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N8 O2 -","- C30 H32 N8 O2 -","- C120 H128 N32 O8 -","4","2","","Ambrosi, Gianluca; Fanelli, Mirco; Paoli, Paola; Formica, Mauro; Paderni, Daniele; Rossi, Patrizia; Micheloni, Mauro; Giorgi, Luca; Fusi, Vieri","Zn(ii) detection and biological activity of a macrocycle containing a bis(oxadiazole)pyridine derivative as fluorophore.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7496","7506","10.1039/c9dt03910d","","","1.54184","CuKα","","0.1224","0.0994","","","0.3289","0.3454","","","","","","1.096","","","","has coordinates,has disorder","253884","2020-10-21","18:00:00",""
"7704447","8.0534","0.0006","15.0332","0.0012","17.7379","0.0013","90","","98.892","0.008","90","","2121.7","0.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Br2 Co N4 O2 -","- C17 H31 Br2 Co N4 O2 -","- C68 H124 Br8 Co4 N16 O8 -","4","1","","Cui, Luxia; Ono, Toshikazu; Morita, Yoshitsugu; Hisaeda, Yoshio","Electrocatalytic reactivity of imine/oxime-type cobalt complex for direct perfluoroalkylation of indole and aniline derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7546","7551","10.1039/d0dt01377c","","x-ray","0.71073","MoKα","","0.0538","0.0464","","","0.1206","0.125","","","","","","1.173","","","","has coordinates,has disorder","253873","2020-10-21","18:00:00",""
"7704448","8.7352","0.001","9.9728","0.0011","11.1879","0.0016","89.774","0.011","74.116","0.011","68.544","0.011","867.4","0.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 F9 N -","- C19 H12 F9 N -","- C38 H24 F18 N2 -","2","1","","Cui, Luxia; Ono, Toshikazu; Morita, Yoshitsugu; Hisaeda, Yoshio","Electrocatalytic reactivity of imine/oxime-type cobalt complex for direct perfluoroalkylation of indole and aniline derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7546","7551","10.1039/d0dt01377c","","x-ray","0.71073","MoKα","","0.0841","0.0431","","","0.0998","0.1201","","","","","","1.073","","","","has coordinates","253873","2020-10-21","18:00:00",""
"7704449","11.2659","0.0015","10.3109","0.0014","8.5702","0.0012","90","","90.741","0.003","90","","995.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cu N4 O4 -","- C8 H6 Cu N4 O4 -","- C32 H24 Cu4 N16 O16 -","4","1","","Cheng, Mei-Ling; Qin, Meng-Na; Sun, Lin; Liu, Lu; Liu, Qi; Tang, Xiao-Yan","Highly efficient Cu(ii)-pyrazoledicarboxylate heterogeneous catalysts for a base-free aerobic oxidation of benzylic alcohol to benzaldehyde with hydrogen peroxide as the oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7758","7765","10.1039/c9dt04927d","","","0.71073","MoKα","","0.0469","0.0323","","","0.0802","0.0863","","","","","","1.047","","","","has coordinates","253906","2020-10-21","18:00:00",""
"7704450","10.4072","0.0008","11.4334","0.0008","12.9954","0.0009","99.827","0.003","98.033","0.003","113.779","0.002","1356.48","0.17","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N4 O5.5 Zn -","- C31 H26 N4 O5.5 Zn -","- C62 H52 N8 O11 Zn2 -","2","1","","Liu, Han; Fan, Yanru; Li, Xiao; Gao, Kuan; Li, Huijie; Yang, Yisen; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Photochromism of metal-organic frameworks based on carbazole-dicarboxylic acid and bipyridine: sensing adjustment by controlling strut-to-strut energy transfer.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7952","7958","10.1039/d0dt00122h","","","0.71073","MoKα","","0.056","0.0471","","","0.1299","0.1362","","","","","","1.03","","","","has coordinates","253919","2020-10-21","18:00:00",""
"7704451","10.6378","0.0006","12.1483","0.0006","13.0565","0.0006","71.249","0.002","83.003","0.002","73.42","0.002","1530.48","0.14","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N4 O7 Zn -","- C33 H27 N4 O7 Zn -","- C66 H54 N8 O14 Zn2 -","2","1","","Liu, Han; Fan, Yanru; Li, Xiao; Gao, Kuan; Li, Huijie; Yang, Yisen; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Photochromism of metal-organic frameworks based on carbazole-dicarboxylic acid and bipyridine: sensing adjustment by controlling strut-to-strut energy transfer.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7952","7958","10.1039/d0dt00122h","","","0.71073","MoKα","","0.054","0.0416","","","0.1041","0.1102","","","","","","1.0472","","","","has coordinates","253919","2020-10-21","18:00:00",""
"7704452","11.5433","0.0004","11.5433","0.0004","11.4136","0.0004","90","","90","","90","","1520.84","0.09","299","2","299","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium bismuth tetratungstate","","- Bi Na5 O16 W4 -","- Bi Na5 O16 W4 -","- Bi4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.025","0.0181","","","0.0297","0.0307","","","","","","1.069","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704453","11.5765","0.0002","11.5765","0.0002","11.4797","0.0002","90","","90","","90","","1538.46","0.05","300","2","300","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium praseodymium tetratungstate","","- Na5 O16 Pr W4 -","- Na5 O16 Pr W4 -","- Na20 O64 Pr4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.024","0.018","","","0.0289","0.0298","","","","","","1.076","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704454","11.469","0.0005","11.469","0.0005","11.3791","0.0006","90","","90","","90","","1496.78","0.12","300","2","300","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium terbium tetratungstate","","- Na5 O16 Tb W4 -","- Na5 O16 Tb W4 -","- Na20 O64 Tb4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0282","0.0207","","","0.039","0.04","","","","","","1.095","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704455","11.4681","0.0004","11.4681","0.0004","11.3759","0.0004","90","","90","","90","","1496.13","0.09","300","2","300","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Eu0.51 Na5 O16 W4 Y0.49 -","- Eu0.511 Na5 O16 W4 Y0.489 -","- Eu2.044 Na20 O64 W16 Y1.956 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0271","0.019","","","0.0312","0.0325","","","","","","1.054","","","","has coordinates,has disorder","253859","2020-10-21","18:00:00",""
"7704456","11.4602","0.0002","11.4602","0.0002","11.3678","0.0003","90","","90","","90","","1493","0.05","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Na5 O16 Tb0.51 W4 Y0.49 -","- Na5 O16 Tb0.514 W4 Y0.486 -","- Na20 O64 Tb2.056 W16 Y1.944 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.021","0.0167","","","0.0305","0.0311","","","","","","1.113","","","","has coordinates,has disorder","253859","2020-10-21","18:00:00",""
"7704457","5.2624","0.0001","5.2624","0.0001","11.4078","0.0003","90","","90","","90","","315.915","0.012","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu Na O8 W2 -","- Eu0.964 Na1.036 O8 W2 -","- Eu1.928 Na2.072 O16 W4 -","2","0.125","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.018","0.0143","","","0.0329","0.034","","","","","","1.12","","","","has coordinates,has disorder","253859","2020-10-21","18:00:00",""
"7704458","11.3965","0.001","11.3965","0.001","11.2932","0.0011","90","","90","","90","","1466.8","0.2","297","2","297","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium ytterbium tetratungstate","","- Na5 O16 W4 Yb -","- Na5 O16 W4 Yb -","- Na20 O64 W16 Yb4 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.03","0.0208","","","0.0376","0.0391","","","","","","1.049","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704459","11.5161","0.0004","11.5161","0.0004","11.4231","0.0004","90","","90","","90","","1514.94","0.09","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium samarium tetratungstate","","- Na5 O16 Sm W4 -","- Na5 O16 Sm W4 -","- Na20 O64 Sm4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.023","0.0174","","","0.0313","0.0321","","","","","","1.038","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704460","11.4998","0.0004","11.4998","0.0004","11.4061","0.0004","90","","90","","90","","1508.4","0.09","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium europium tetratungstate","","- Eu Na5 O16 W4 -","- Eu Na5 O16 W4 -","- Eu4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0258","0.0181","","","0.0347","0.0356","","","","","","1.025","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704461","11.4796","0.0004","11.4796","0.0004","11.3779","0.0004","90","","90","","90","","1499.39","0.09","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium gadolinium tetratungstate","","- Gd Na5 O16 W4 -","- Gd Na5 O16 W4 -","- Gd4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0243","0.0182","","","0.0341","0.0349","","","","","","1.081","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704462","11.3999","0.0006","11.3999","0.0006","11.2985","0.0006","90","","90","","90","","1468.33","0.13","299","2","299","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium thulium tetratungstate","","- Na5 O16 Tm W4 -","- Na5 O16 Tm W4 -","- Na20 O64 Tm4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0266","0.0195","","","0.0352","0.0363","","","","","","1.076","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704463","11.4399","0.0004","11.4399","0.0004","11.3469","0.0005","90","","90","","90","","1484.98","0.1","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium holmium tetratungstate","","- Ho Na5 O16 W4 -","- Ho Na5 O16 W4 -","- Ho4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0252","0.0188","","","0.0344","0.0354","","","","","","1.086","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704464","11.38701","0.00012","11.38701","0.00012","11.28231","0.00013","90","","90","","90","","1462.91","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium lutetium tetratungstate","Na5Lu(WO4)4","- Lu Na5 O16 W4 -","- Lu Na5 O16 W4 -","- Lu4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0163","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704465","11.5857","0.0003","11.5857","0.0003","11.5247","0.0004","90","","90","","90","","1546.94","0.08","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium cerium tetratungstate","","- Ce Na5 O16 W4 -","- Ce Na5 O16 W4 -","- Ce4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0321","0.0302","","","0.0714","0.0719","","","","","","1.342","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704466","11.63319","0.00011","11.63319","0.00011","11.54299","0.00013","90","","90","","90","","1562.13","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium lanthanum tetratungstate","Na5La(WO4)4","- La Na5 O16 W4 -","- La Na5 O16 W4 -","- La4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0223","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704467","11.5589","0.0004","11.5589","0.0004","11.4722","0.0004","90","","90","","90","","1532.78","0.09","295","2","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium neodymium tetratungstate","","- Na5 Nd O16 W4 -","- Na5 Nd O16 W4 -","- Na20 Nd4 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0322","0.0216","","","0.0351","0.0362","","","","","","1.038","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704468","11.45626","0.00015","11.45626","0.00015","11.35742","0.00017","90","","90","","90","","1490.61","0.04","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium dysprosium tetratungstate","Na5Dy(WO4)4","- Dy Na5 O16 W4 -","- Dy Na5 O16 W4 -","- Dy4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0152","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704469","11.43616","0.00011","11.43616","0.00011","11.34047","0.00012","90","","90","","90","","1483.17","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium yttrium tetratungstate","Na5Y(WO4)4","- Na5 O16 W4 Y -","- Na5 O16 W4 Y -","- Na20 O64 W16 Y4 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0169","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704470","11.42573","0.00013","11.42573","0.00013","11.32408","0.00014","90","","90","","90","","1478.33","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium erbium tetratungstate","Na5Er(WO4)4","- Er Na5 O16 W4 -","- Er Na5 O16 W4 -","- Er4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.016","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704471","22.579","0.005","18.004","0.004","17.445","0.004","90","","90","","90","","7092","3","150","2","150","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C20.67 H18 Cl F3 N1.67 O3 S Sb0.67 -","- C20.6667 H18 Cl F3 N1.66667 O3 S Sb0.666667 -","- C248 H216 Cl12 F36 N20 O36 S12 Sb8 -","12","1.5","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","0.71073","MoKα","","0.0394","0.0368","","","0.096","0.0976","","","","","","1.073","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704472","9.91","0.002","41.067","0.008","10.049","0.002","90","","119.29","0.03","90","","3566.8","1.6","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H30 As2 F3 N O3 S -","- C39 H30 As2 F3 N O3 S -","- C156 H120 As8 F12 N4 O12 S4 -","4","2","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","1.54184","CuKα","","0.099","0.0935","","","0.2843","0.2913","","","","","","1.06","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704473","9.5348","0.0004","8.6886","0.0003","11.8188","0.0008","90","","95.333","0.005","90","","974.88","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 As N0 O4 -","- C22 H21 As O4 -","- C44 H42 As2 O8 -","2","1","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","0.71073","MoKα","","0.0372","0.0321","","","0.0636","0.0651","","","","","","1.036","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704474","12.2818","0.0005","12.6786","0.0005","15.1093","0.0006","90","","104.371","0.004","90","","2279.14","0.16","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Au F5 N P S -","- C24 H16 Au F5 N P S -","- C96 H64 Au4 F20 N4 P4 S4 -","4","1","","Martín-Encinas, Endika; Conejo-Rodríguez, Verónica; Miguel, Jesús A; Martínez-Ilarduya, Jesús M; Rubiales, Gloria; Knudsen, Birgitta R.; Palacios, Francisco; Alonso, Concepción","Novel phosphine sulphide gold(i) complexes: topoisomerase I inhibitors and antiproliferative agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7852","7861","10.1039/d0dt01467b","","x-ray","0.71073","MoKα","","0.0779","0.0409","","","0.0714","0.0849","","","","","","1.024","","","","has coordinates","253914","2020-10-21","18:00:00",""
"7704475","7.3678","0.0004","9.2749","0.0005","16.2849","0.0008","83.944","0.004","79.946","0.004","89.716","0.005","1089.53","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 Au F5 P S -","- C24 H15 Au F5 P S -","- C48 H30 Au2 F10 P2 S2 -","2","1","","Martín-Encinas, Endika; Conejo-Rodríguez, Verónica; Miguel, Jesús A; Martínez-Ilarduya, Jesús M; Rubiales, Gloria; Knudsen, Birgitta R.; Palacios, Francisco; Alonso, Concepción","Novel phosphine sulphide gold(i) complexes: topoisomerase I inhibitors and antiproliferative agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7852","7861","10.1039/d0dt01467b","","x-ray","0.71073","MoKα","","0.0671","0.0423","","","0.063","0.0742","","","","","","0.994","","","","has coordinates","253914","2020-10-21","18:00:00",""
"7704476","8.9368","0.0003","13.7072","0.0006","15.0808","0.0005","79.195","0.003","78.797","0.003","88.661","0.003","1779.88","0.12","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H26 Au F5 N P S -","- C43 H26 Au F5 N P S -","- C86 H52 Au2 F10 N2 P2 S2 -","2","1","","Martín-Encinas, Endika; Conejo-Rodríguez, Verónica; Miguel, Jesús A; Martínez-Ilarduya, Jesús M; Rubiales, Gloria; Knudsen, Birgitta R.; Palacios, Francisco; Alonso, Concepción","Novel phosphine sulphide gold(i) complexes: topoisomerase I inhibitors and antiproliferative agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7852","7861","10.1039/d0dt01467b","","x-ray","0.71073","MoKα","","0.0736","0.0441","","","0.0766","0.0892","","","","","","1.047","","","","has coordinates","253914","2020-10-21","18:00:00",""
"7704477","7.0336","0.0006","16.5823","0.0015","18.4251","0.0015","81.687","0.003","89.129","0.002","85.846","0.003","2120.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N12 O26 Zn2 -","- C60 H84 N12 O26 Zn2 -","- C60 H84 N12 O26 Zn2 -","1","0.5","","Karmakar, Anirban; Soliman, Mohamed M. A.; Rúbio, Guilherme M D M; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and catalytic activities of a Zn(ii) based metallomacrocycle and a metal-organic framework towards one-pot deacetalization-Knoevenagel tandem reactions under different strategies: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8075","8085","10.1039/d0dt01312a","","","0.71073","MoKα","","0.0908","0.0799","","","0.2076","0.2149","","","","","","1.049","","","","has coordinates","253855","2020-10-21","18:00:00",""
"7704478","15.6267","0.0016","15.6542","0.0015","19.192","0.0017","111.05","0.003","99.873","0.003","106.17","0.004","4010.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H126 N20 O42 Zn5 -","- C108 H126 N20 O42 Zn5 -","- C108 H126 N20 O42 Zn5 -","1","0.5","","Karmakar, Anirban; Soliman, Mohamed M. A.; Rúbio, Guilherme M D M; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and catalytic activities of a Zn(ii) based metallomacrocycle and a metal-organic framework towards one-pot deacetalization-Knoevenagel tandem reactions under different strategies: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8075","8085","10.1039/d0dt01312a","","","0.71073","MoKα","","0.1024","0.0888","","","0.2612","0.2751","","","","","","1.124","","","","has coordinates","253855","2020-10-21","18:00:00",""
"7704479","14.6015","0.001","14.2461","0.0011","17.5327","0.0014","90","","105.912","0.004","90","","3507.3","0.5","120","2","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Bi F6 N O6 P2 S2 -","- C28 H40 Bi F6 N O6 P2 S2 -","- C112 H160 Bi4 F24 N4 O24 P8 S8 -","4","1","","Kindervater, Marcus B.; Hynes, Toren; Marczenko, Katherine M.; Chitnis, Saurabh S.","Squeezing Bi: PNP and P<sub>2</sub>N<sub>3</sub> pincer complexes of bismuth.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16072","16076","10.1039/d0dt01413c","","","1.54184","CuKα","","0.0216","0.0213","","","0.0542","0.0544","","","","","","1.095","","","","has coordinates","260788","2021-01-07","06:30:46",""
"7704480","17.475","0.003","15.809","0.002","17.557","0.003","90","","102.452","0.002","90","","4736.2","1.3","125","2","125.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Bi Cl6 N3 P2 -","- C50 H42 Bi Cl6 N3 P2 -","- C200 H168 Bi4 Cl24 N12 P8 -","4","1","","Kindervater, Marcus B.; Hynes, Toren; Marczenko, Katherine M.; Chitnis, Saurabh S.","Squeezing Bi: PNP and P<sub>2</sub>N<sub>3</sub> pincer complexes of bismuth.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16072","16076","10.1039/d0dt01413c","","","0.71073","MoKα","","0.0968","0.0469","","","0.0836","0.099","","","","","","0.94","","","","has coordinates","260788","2021-01-07","06:30:46",""
"7704481","5.8838","0.0002","11.1708","0.0004","13.3912","0.0005","84.62","0.001","80.282","0.001","77.131","0.001","844.29","0.05","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O Si -","- C18 H20 N2 O Si -","- C36 H40 N4 O2 Si2 -","2","1","","Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7364","7372","10.1039/d0dt01421d","","x-ray","0.71073","MoKα","","0.0392","0.0317","","","0.0776","0.0817","","","","","","1.038","","","","has coordinates","253872","2020-10-21","18:00:00",""
"7704482","17.0839","0.0018","9.833","0.0011","27.626","0.003","90","","92.821","0.002","90","","4635.2","0.9","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Ag F3 N6 O4 S -","- C22 H18 Ag F3 N6 O4 S -","- C176 H144 Ag8 F24 N48 O32 S8 -","8","2","","Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7364","7372","10.1039/d0dt01421d","","","0.71073","MoKα","","0.0918","0.0545","","","0.1191","0.1355","","","","","","1.009","","","","has coordinates","253872","2020-10-21","18:00:00",""
"7704483","14.781","0.002","19.903","0.002","6.1151","0.0006","90","","90","","90","","1799","0.4","100","2","99.99","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H18 N6 O -","- C21 H18 N6 O -","- C84 H72 N24 O4 -","4","1","","Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7364","7372","10.1039/d0dt01421d","","x-ray","1.54178","CuKα","","0.1011","0.0823","","","0.214","0.2264","","","","","","1.056","","","","has coordinates,has disorder","253872","2020-10-21","18:00:00",""
"7704484","10.6662","0.0007","15.8451","0.0012","19.6427","0.0015","90","","100.64","0.002","90","","3262.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 I2 Mn N6 O2 P2 -","- C24 H36 I2 Mn N6 O2 P2 -","- C96 H144 I8 Mn4 N24 O8 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca","Light harvesting indolyl-substituted phosphoramide ligand for the enhancement of Mn(ii) luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7525","7534","10.1039/d0dt01659d","","","0.71073","MoKα","","0.028","0.0234","","","0.0509","0.0522","","","","","","1.09","","","","has coordinates","253883","2020-10-21","18:00:00",""
"7704485","10.35","0.0008","15.745","0.0013","18.6481","0.0014","90","","99.437","0.002","90","","2997.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Cl2 Mn N6 O2 P2 -","- C24 H36 Cl2 Mn N6 O2 P2 -","- C96 H144 Cl8 Mn4 N24 O8 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca","Light harvesting indolyl-substituted phosphoramide ligand for the enhancement of Mn(ii) luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7525","7534","10.1039/d0dt01659d","","","0.71073","MoKα","","0.0974","0.0514","","","0.084","0.0959","","","","","","1.01","","","","has coordinates","253883","2020-10-21","18:00:00",""
"7704486","10.4594","0.0005","15.7962","0.0008","19.0025","0.0009","90","","99.319","0.002","90","","3098.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br2 Mn N6 O2 P2 -","- C24 H36 Br2 Mn N6 O2 P2 -","- C96 H144 Br8 Mn4 N24 O8 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca","Light harvesting indolyl-substituted phosphoramide ligand for the enhancement of Mn(ii) luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7525","7534","10.1039/d0dt01659d","","","0.71073","MoKα","","0.038","0.0302","","","0.0655","0.068","","","","","","1.055","","","","has coordinates","253883","2020-10-21","18:00:00",""
"7704487","17.676","0.009","13.168","0.007","22.406","0.012","90","","90.934","0.008","90","","5214","5","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C34 H78 Dy F N12 O12 -","- C136 H312 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","","0.71073","MoKα","","0.0632","0.0443","","","0.1097","0.1233","","","","","","1.031","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704488","17.739","0.007","13.289","0.005","22.613","0.008","90","","91.047","0.005","90","","5330","3","400","","400","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C34 H78 Dy F N12 O12 -","- C136 H312 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","x-ray","0.71073","MoKα","","0.1008","0.0464","","","0.1083","0.1348","","","","","","1.001","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704489","17.87","0.07","13.4","0.05","22.78","0.1","90","","91.02","0.03","90","","5454","4","473","","473","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C34 H78 Dy F N12 O12 -","- C136 H312 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","x-ray","0.71073","MoKα","","0.1584","0.0774","","","0.2095","0.29","","","","","","1.026","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704490","17.7637","0.0006","13.2461","0.0004","22.5542","0.0007","90","","90.957","0.002","90","","5306.3","0.3","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C33.9999 H77.9997 Dy F N12 O12 -","- C136 H311.999 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","x-ray","0.71073","MoKα","","0.075","0.0419","","","0.1151","0.142","","","","","","1.046","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704491","11.5572","0.0006","11.7407","0.0006","16.9501","0.0008","100.184","0.002","93.978","0.002","102.322","0.002","2197.81","0.19","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C51.4 H54.5 Cl0.1 N3 Ni O2.9 P2 -","- C51.4 H54.5 Cl0.1 N3 Ni O2.9 P2 -","- C102.8 H109 Cl0.2 N6 Ni2 O5.8 P4 -","2","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0528","0.0406","","","0.0835","0.0892","","","","","","1.073","","","","has coordinates,has disorder","253918","2020-10-21","18:00:00",""
"7704492","10.7438","0.0003","12.7981","0.0004","14.4155","0.0005","69.677","0.001","83.88","0.001","74.497","0.001","1790.91","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 N3 Na Ni O P2 -","- C42 H40 N3 Na Ni O P2 -","- C84 H80 N6 Na2 Ni2 O2 P4 -","2","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0649","0.0421","","","0.0743","0.0815","","","","","","1.024","","","","has coordinates","253918","2020-10-21","18:00:00",""
"7704493","10.0629","0.0004","12.4737","0.0005","15.2136","0.0006","74.272","0.002","87.324","0.002","79.697","0.002","1808.5","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H41 N3 Ni P2 -","- C45 H41 N3 Ni P2 -","- C90 H82 N6 Ni2 P4 -","2","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0537","0.0393","","","0.0819","0.088","","","","","","1.062","","","","has coordinates","253918","2020-10-21","18:00:00",""
"7704494","8.8277","0.0006","26.5464","0.0018","17.2437","0.0011","90","","94.715","0.003","90","","4027.3","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H45 N5 Ni P2 -","- C49 H45 N5 Ni P2 -","- C196 H180 N20 Ni4 P8 -","4","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0926","0.0745","","","0.1625","0.1691","","","","","","1.246","","","","has coordinates","253918","2020-10-21","18:00:00",""
"7704495","19.286","0.0011","12.0279","0.0007","29.6486","0.0014","90","","119.834","0.003","90","","5966.1","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C90 H176 Co4 Dy4 N2 O46 -","- C90 H176 Co4 Dy4 N2 O46 -","- C180 H352 Co8 Dy8 N4 O92 -","2","0.5","","Basak, Dipmalya; van Leusen, Jan; Gupta, Tulika; Kögerler, Paul; Ray, Debashis","Synthetic diversity and change in nuclearity in [Co-Dy] coordination aggregates: bridge removal, solvent induced structural reorganization and AC susceptibility measurements.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7576","7591","10.1039/d0dt01728k","","","0.71073","MoKα","","0.0735","0.048","","","0.1143","0.1248","","","","","","1.073","","","","has coordinates","253886","2020-10-21","18:00:00",""
"7704496","18.8939","0.0015","12.3083","0.0011","27.25","0.002","90","","107.951","0.004","90","","6028.6","0.9","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C82 H160 Co4 Dy4 N2 O44 -","- C82 H152 Co4 Dy4 N2 O44 -","- C164 H304 Co8 Dy8 N4 O88 -","2","0.5","","Basak, Dipmalya; van Leusen, Jan; Gupta, Tulika; Kögerler, Paul; Ray, Debashis","Synthetic diversity and change in nuclearity in [Co-Dy] coordination aggregates: bridge removal, solvent induced structural reorganization and AC susceptibility measurements.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7576","7591","10.1039/d0dt01728k","","","0.71073","MoKα","","0.0998","0.0672","","","0.1601","0.1773","","","","","","1.074","","","","has coordinates","253886","2020-10-21","18:00:00",""
"7704497","17.4581","0.0011","21.4285","0.0014","23.3399","0.0014","90","","90","","90","","8731.5","0.9","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H114 Co4 Dy2 N2 O28 -","- C70 H114 Co4 Dy2 N2 O28 -","- C280 H456 Co16 Dy8 N8 O112 -","4","0.5","","Basak, Dipmalya; van Leusen, Jan; Gupta, Tulika; Kögerler, Paul; Ray, Debashis","Synthetic diversity and change in nuclearity in [Co-Dy] coordination aggregates: bridge removal, solvent induced structural reorganization and AC susceptibility measurements.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7576","7591","10.1039/d0dt01728k","","","0.71073","MoKα","","0.0682","0.0332","","","0.0631","0.0725","","","","","","0.979","","","","has coordinates","253886","2020-10-21","18:00:00",""
"7704498","21.347","0.009","22.304","0.009","34.107","0.014","96.042","0.005","91.353","0.005","112.889","0.005","14840","11","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C268 H256 Ag30 Cu14 P4 S28 -","- C268 H256 Ag30 Cu14 P4 S28 -","- C536 H512 Ag60 Cu28 P8 S56 -","2","1","","Li, Jiale; Li, Hao; Yu, Haizhu; Chai, Jinsong; Li, Qinzhen; Song, Yongbo; Zhang, Zhongjie; Zhu, Manzhou","A novel geometric structure of a nanocluster with an irregular kernel: Ag<sub>30</sub>Cu<sub>14</sub>(TPP)<sub>4</sub>(SR)<sub>28</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7684","7687","10.1039/d0dt01142h","","","0.71073","MoKα","","0.1625","0.103","","","0.2839","0.3203","","","","","","1.043","","","","has coordinates","253916","2020-10-21","18:00:00",""
"7704499","17.002","0.004","17.002","0.004","17.32","0.004","90","","90","","90","","5007","2","173","","173","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C23.5 H29.75 Co N5.25 O3 P -","- C23.5 H29.75 Co N5.25 O3 P -","- C188 H238 Co8 N42 O24 P8 -","8","1","","Cabelof, Alyssa C.; Carta, Veronica; Chen, Chun-Hsing; Caulton, Kenneth G.","Nitrogen oxyanion reduction by Co(ii) augmented by a proton responsive ligand: recruiting multiple metals.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7891","7896","10.1039/d0dt01298j","","","0.71073","MoKα","","0.1382","0.0756","","","0.1529","0.1762","","","","","","1.058","","","","has coordinates,has disorder","253921","2020-10-21","18:00:00",""
"7704500","17.203","0.004","13.355","0.004","12.931","0.003","90","","90.797","0.008","90","","2970.6","1.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl2 Co N6 O6 P -","- C24 H33 Cl2 Co N6 O6 P -","- C96 H132 Cl8 Co4 N24 O24 P4 -","4","1","","Cabelof, Alyssa C.; Carta, Veronica; Chen, Chun-Hsing; Caulton, Kenneth G.","Nitrogen oxyanion reduction by Co(ii) augmented by a proton responsive ligand: recruiting multiple metals.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7891","7896","10.1039/d0dt01298j","","","0.71073","MoKα","","0.1925","0.104","","","0.258","0.3087","","","","","","1.027","","","","has coordinates,has disorder","253921","2020-10-21","18:00:00",""
"7704501","17.0816","0.00003","21.4257","0.00003","16.5137","0.00003","90","","104.073","0.003","90","","5862.38","0.08","153","","153","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","PNN2Co3NO26","","- C48 H61 Co3 N13 O12 P2 -","- C48 H61 Co3 N13 O12 P2 -","- C192 H244 Co12 N52 O48 P8 -","4","1","","Cabelof, Alyssa C.; Carta, Veronica; Chen, Chun-Hsing; Caulton, Kenneth G.","Nitrogen oxyanion reduction by Co(ii) augmented by a proton responsive ligand: recruiting multiple metals.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7891","7896","10.1039/d0dt01298j","","","0.71073","MoKα","","0.0808","0.049","","0.1633","0.1322","0.1564","","","","","","0.8051","","","","has coordinates","253921","2020-10-21","18:00:00",""
"7704502","10.16","0.0007","14.1135","0.0009","21.9573","0.0014","90","","97.56","0.006","90","","3121.2","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H21 Cd N7 O6 S2 -","- C33 H21 Cd N7 O6 S2 -","- C132 H84 Cd4 N28 O24 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0502","0.0349","","","0.0702","0.0761","","","","","","1.071","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704503","10.2014","0.0006","14.2651","0.0007","21.9691","0.0012","90","","97.393","0.006","90","","3170.5","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H21 Hg N7 O6 S2 -","- C33 H21 Hg N7 O6 S2 -","- C132 H84 Hg4 N28 O24 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0433","0.0337","","","0.0646","0.0686","","","","","","1.031","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704504","10.1938","0.0005","12.5434","0.0009","19.5581","0.0014","88.57","0.006","82.144","0.005","76.167","0.005","2405.4","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 N12 O8 S2 Zn -","- C52 H38 N12 O8 S2 Zn -","- C104 H76 N24 O16 S4 Zn2 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0756","0.0472","","","0.0879","0.1","","","","","","1.011","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704505","10.126","0.003","15.384","0.003","16.655","0.003","97.07","0.04","98.7","0.03","102.69","0.03","2468.9","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]methyl)bis(phenyl)phosphine-P)-copper(I)","","- C51 H49 Cl2 Cu I N6 O3 P -","- C51 H49 Cl2 Cu I N6 O3 P -","- C102 H98 Cl4 Cu2 I2 N12 O6 P2 -","2","1","","Starosta, Radosław; de Almeida, Rodrigo F. M.; Puchalska, Małgorzata; Białońska, Agata; Panek, Jarosław J; Jezierska, Aneta; Szmigiel, Ida; Suchodolski, Jakub; Krasowska, Anna","New anticandidal Cu(i) complexes with neocuproine and ketoconazole derived diphenyl(aminomethyl)phosphane: luminescence properties for detection in fungal cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8528","8539","10.1039/d0dt01162b","","","0.71073","MoKα","","0.2275","0.0915","","","0.1633","0.2284","","","","","","0.969","","","","has coordinates","253895","2020-10-21","18:00:00",""
"7704506","12.9566","0.0004","29.5914","0.0008","16.6475","0.0005","90","","90.824","0.003","90","","6382.1","0.3","107","6","107","6","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 B Mo N3 Na O16 P6 -","- C55 H73 B Mo N3 Na O16 P6 -","- C220 H292 B4 Mo4 N12 Na4 O64 P24 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1108","0.074","","","0.1282","0.1432","","","","","","1.06","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704507","11.0367","0.0003","19.6039","0.0007","15.6787","0.0006","90","","93.44","0.003","90","","3386.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Mo N3 O7 P6 Ti -","- C30 H25 Mo N3 O7 P6 Ti -","- C120 H100 Mo4 N12 O28 P24 Ti4 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1032","0.0563","","","0.0825","0.0926","","","","","","0.976","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704508","59.1004","0.0011","34.6994","0.0006","12.38327","0.00019","90","","90","","90","","25395","0.8","106.05","0.13","106.05","0.13","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C22.36 H35.49 Cl2.75 Mo N3 O4 P3 -","- C22.361 H34.682 Cl2.742 Mo N3 O4 P3 -","- C715.552 H1109.82 Cl87.744 Mo32 N96 O128 P96 -","32","2","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0503","0.0471","","","0.1077","0.1093","","","","","","1.096","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704509","8.6804","0.0003","11.7969","0.0005","12.7633","0.0005","112.956","0.004","104.532","0.003","93.858","0.003","1144.81","0.09","105","1","105","1","","","","","","","","5","P -1","-P 1","2","","tris([1,3,4]azadiphospholo[1,2-a]pyridin-3-yl) phosphate","","- C18 H12 N3 O4 P7 -","- C18 H12 N3 O4 P7 -","- C36 H24 N6 O8 P14 -","2","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0707","0.0589","","","0.1086","0.1129","","","","","","1.179","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704510","12.9086","0.0007","24.9553","0.0013","13.7959","0.0007","90","","108.117","0.001","90","","4223.9","0.4","99","2","99.55","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 Cl4 N6 Na2 O18 P12 Ti -","- C62 H88 Cl4 N6 Na2 O18 P12 Ti -","- C124 H176 Cl8 N12 Na4 O36 P24 Ti2 -","2","0.5","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0696","0.0374","","","0.0642","0.071","","","","","","0.906","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704511","33.7644","0.0014","12.0728","0.0006","11.6209","0.0005","90","","90","","90","","4737","0.4","106","9","106","9","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36.46 H44.9 B N3 Na O7.4 P6 -","- C36.46 H44.9079 B N3 Na O7.4043 P6 -","- C145.84 H179.632 B4 N12 Na4 O29.6172 P24 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1366","0.1122","","","0.2802","0.3057","","","","","","1.059","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704512","12.9301","0.0004","11.3677","0.0004","29.4791","0.0017","90","","90","","90","","4333","0.3","104.79","0.12","104.79","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-([1,3,4]azadiphospholo[1,2-a]pyridin-3-yloxy)-N,N,N',N'-tetraisopropylphosphanediamine","","- C18 H32 N3 O P3 -","- C18 H32 N3 O P3 -","- C144 H256 N24 O8 P24 -","8","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0484","0.0396","","","0.0844","0.0881","","","","","","1.113","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704513","28.4804","0.001","18.1858","0.0006","16.884","0.0004","90","","90","","90","","8744.9","0.5","106.48","0.14","106.48","0.14","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H41 Mo N3 O9 P6 Si -","- C39 H41 Mo N3 O9 P6 Si -","- C312 H328 Mo8 N24 O72 P48 Si8 -","8","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1227","0.0972","","","0.1556","0.1639","","","","","","1.335","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704514","13.1587","0.0002","20.1174","0.0003","24.1036","0.0004","90","","90","","90","","6380.68","0.17","104.7","1","104.7","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Titanium(tris(1,3,4-azadiphospholo-1,2-pyridin-3-olate))-cyclopentadiene","","- C30 H25 N3 O3 P6 Ti -","- C30 H25 N3 O3 P6 Ti -","- C240 H200 N24 O24 P48 Ti8 -","8","2","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0638","0.0521","","","0.1083","0.1141","","","","","","1.048","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704515","7.4263","0.0003","15.2635","0.0008","26.3095","0.0015","90","","92.364","0.004","90","","2979.7","0.3","104.6","0.2","104.6","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Cl2 N3 O3 P6 Ti -","- C24 H19 Cl2 N3 O3 P6 Ti -","- C96 H76 Cl8 N12 O12 P24 Ti4 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.099","0.0671","","","0.1633","0.1938","","","","","","1.068","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704516","13.1135","0.0003","13.1212","0.0004","16.9409","0.0004","83.345","0.002","68.758","0.002","60.501","0.003","2357.65","0.13","104","2","104","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H87.86 Cl3.92 Hf Mo2 N6 Na2 O24 P12 -","- C68 H87.868 Cl3.92 Hf Mo2 N6 Na2 O24 P12 -","- C68 H87.868 Cl3.92 Hf Mo2 N6 Na2 O24 P12 -","1","0.5","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0253","0.023","","","0.0529","0.0538","","","","","","1.032","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704517","15.9451","0.0003","13.2815","0.0002","18.8611","0.0005","90","","90.052","0.003","90","","3994.3","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Hf N6 Na2 O18 P12 -","- C60 H84 Hf N6 Na2 O18 P12 -","- C120 H168 Hf2 N12 Na4 O36 P24 -","2","0.5","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","","0.71073","MoKα","","0.0569","0.0415","","","0.0723","0.0778","","","","","","1.032","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704518","15.7174","0.0006","18.1192","0.0006","18.6203","0.0007","97.658","0.001","95.1","0.001","110.333","0.001","4875.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C286 H398 N54 O54 Pd2 -","- C166 H118 N14 O14 Pd2 -","- C166 H118 N14 O14 Pd2 -","1","0.5","","Li, Chenyang; Zhang, Beilin; Dong, Yunhong; Li, Yawen; Wang, Pinpin; Yu, Yang; Cheng, Lin; Cao, Liping","A tetraphenylethene-based Pd<sub>2</sub>L<sub>4</sub> metallacage with aggregation-induced emission and stimuli-responsive behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8051","8055","10.1039/d0dt00469c","","","0.71073","MoKα","","0.0497","0.0447","","","0.134","0.138","","","","","","1.097","","","","has coordinates,has disorder","253858","2020-10-21","18:00:00",""
"7704519","17.1299","0.0008","10.2595","0.0004","17.7663","0.0011","90","","113.637","0.001","90","","2860.4","0.2","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","0.5","","Li, Chenyang; Zhang, Beilin; Dong, Yunhong; Li, Yawen; Wang, Pinpin; Yu, Yang; Cheng, Lin; Cao, Liping","A tetraphenylethene-based Pd<sub>2</sub>L<sub>4</sub> metallacage with aggregation-induced emission and stimuli-responsive behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8051","8055","10.1039/d0dt00469c","","","0.71073","MoKα","","0.0535","0.0399","","","0.0946","0.1045","","","","","","1.057","","","","has coordinates","253858","2020-10-21","18:00:00",""
"7704520","10.5587","0.0001","12.7258","0.0001","16.3375","0.0002","96.606","0.001","107.201","0.001","93.562","0.001","2072.41","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H45 Au2 Cl S2 Si3 -","- C43 H45 Au2 Cl S2 Si3 -","- C86 H90 Au4 Cl2 S4 Si6 -","2","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","(Thio)(silyl)carbene and (seleno)(silyl)carbene gold(i) complexes from the reaction of bis(methylene)-λ<sup>4</sup>-sulfane and bis(methylene)-λ<sup>4</sup>-selane with chloro(dimethylsulfide)gold(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7688","7691","10.1039/d0dt00967a","","","0.4118","synchrotron","","0.0215","0.0208","","","0.0558","0.0562","","","","","","1.068","","","","has coordinates","253905","2020-10-21","18:00:00",""
"7704521","10.7306","0.0002","12.7719","0.0003","16.3141","0.0003","96.455","0.002","107.896","0.002","93.832","0.002","2102","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H45 Au2 Cl S Se Si3 -","- C43 H45 Au2 Cl S Se Si3 -","- C86 H90 Au4 Cl2 S2 Se2 Si6 -","2","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","(Thio)(silyl)carbene and (seleno)(silyl)carbene gold(i) complexes from the reaction of bis(methylene)-λ<sup>4</sup>-sulfane and bis(methylene)-λ<sup>4</sup>-selane with chloro(dimethylsulfide)gold(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7688","7691","10.1039/d0dt00967a","","","0.4119","synchrotron","","0.0196","0.0191","","","0.0547","0.055","","","","","","1.053","","","","has coordinates","253905","2020-10-21","18:00:00",""
"7704522","13.1607","0.0014","11.9411","0.0012","19.722","0.002","90","","107.396","0.004","90","","2957.6","0.5","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 N4 O12 P2 Zn3 -","- C58 H60 N4 O12 P2 Zn3 -","- C116 H120 N8 O24 P4 Zn6 -","2","0.5","","Wang, Xiaoming; Chang, Kejian; Xu, Xin","Hydroboration of carbon dioxide enabled by molecular zinc dihydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7324","7327","10.1039/d0dt01090a","","","0.71073","MoKα","","0.1055","0.0464","","","0.0822","0.0985","","","","","","1.014","","","","has coordinates","253875","2020-10-21","18:00:00",""
"7704523","21.0915","0.001","10.6678","0.0004","40.3216","0.0018","90","","104.462","0.002","90","","8784.9","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H61 N2 O2 P Zn -","- C50 H61 N2 O2 P Zn -","- C400 H488 N16 O16 P8 Zn8 -","8","2","","Wang, Xiaoming; Chang, Kejian; Xu, Xin","Hydroboration of carbon dioxide enabled by molecular zinc dihydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7324","7327","10.1039/d0dt01090a","","","0.71073","MoKα","","0.0653","0.0391","","","0.0862","0.1008","","","","","","1.071","","","","has coordinates,has disorder","253875","2020-10-21","18:00:00",""
"7704524","12.1891","0.0001","10.5285","0.0001","19.6792","0.0001","90","","108.011","0.001","90","","2401.73","0.04","150","0.1","150","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C48 H52 B Br N8 O2 P2 Pt W -","- C48 H52 B Br N8 O2 P2 Pt W -","- C96 H104 B2 Br2 N16 O4 P4 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0732","0.0733","","","","","","1.049","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704525","9.5287","0.0002","16.3575","0.0004","18.2918","0.0002","84.892","0.002","78.583","0.002","85.769","0.002","2778.94","0.1","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C48 H47 B Cl6 F6 N8 O2 P2 Pt W -","- C48 H47 B Cl6 F6 N8 O2 P2 Pt W -","- C96 H94 B2 Cl12 F12 N16 O4 P4 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0527","0.0445","","","0.1158","0.1252","","","","","","1.042","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704526","10.1322","0.0006","14.7017","0.0008","19.3416","0.0007","103.794","0.004","102.422","0.004","106.487","0.005","2556.3","0.3","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C47 H54 B2 Cl3 N10 O2 P Pt W -","- C47 H54 B2 Cl3 N10 O2 P Pt W -","- C94 H108 B4 Cl6 N20 O4 P2 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0722","0.0484","","","0.1137","0.1274","","","","","","1.03","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704527","11.6701","0.0003","11.7291","0.0004","21.3711","0.0007","79.857","0.003","86.505","0.002","75.021","0.002","2781.34","0.15","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C54 H61 B F6 N8 O2 P2 Pt W -","- C54 H61 B F6 N8 O2 P2 Pt W -","- C108 H122 B2 F12 N16 O4 P4 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","0.71073","MoKα","","0.0397","0.0308","","","0.058","0.0614","","","","","","1.135","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704528","10.8902","0.0002","15.0338","0.0004","17.0497","0.0004","71.254","0.002","79.943","0.002","82.947","0.002","2596.04","0.11","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C51 H59 B2 N12 O2 P Pt W -","- C51 H59 B2 N12 O2 P Pt W -","- C102 H118 B4 N24 O4 P2 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0235","0.0222","","","0.0572","0.0581","","","","","","1.068","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704529","11.8325","0.001","12.641","0.0005","18.1325","0.0007","74.259","0.004","82.64","0.005","76.417","0.005","2531.4","0.3","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C45 H48 B2 Cl3 N10 O2 P Pt S2 W -","- C45 H48 B2 Cl3 N10 O2 P Pt S2 W -","- C90 H96 B4 Cl6 N20 O4 P2 Pt2 S4 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.1056","0.0613","","","0.1371","0.1626","","","","","","1.058","","","","has coordinates,has disorder","253868","2020-10-21","18:00:00",""
"7704530","12.5263","0.0002","12.939","0.0002","13.8769","0.0002","76.435","0.001","89.141","0.001","82.519","0.001","2167.5","0.06","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C41 H47 B N7 O2 P Pt S2 W -","- C41 H47 B N7 O2 P Pt S2 W -","- C82 H94 B2 N14 O4 P2 Pt2 S4 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0306","0.0273","","","0.0682","0.0709","","","","","","1.039","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704531","42.7794","0.0012","10.397","0.0003","20.4764","0.0007","90","","94.581","0.003","90","","9078.3","0.5","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 B Br Mo N6 O2 P2 Pt -","- C44 H46 B Br Mo N6 O2 P2 Pt -","- C352 H368 B8 Br8 Mo8 N48 O16 P16 Pt8 -","8","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","0.71073","MoKα","","0.0564","0.043","","","0.0875","0.0929","","","","","","1.109","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704532","8.5849","0.0002","10.7515","0.0002","29.4255","0.0005","90","","90","","90","","2715.99","0.09","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((1R,2S)-1-(((E)-(2-((((S)-1-Benzyl-2-pyrrolidinyl)carbonyl)amino)-phenyl)-(phenyl)methylidene)amine)-2-(methoxycarbonyl)cyclopropanecarboxylato-N,N',N'',O)-nickel(ii)","","- C31 H29 N3 Ni O5 -","- C31 H29 N3 Ni O5 -","- C124 H116 N12 Ni4 O20 -","4","1","","Levitskiy, Oleg A.; Aglamazova, Olga I.; Grishin, Yuri K.; Paseshnichenko, Ksenia A.; Soloshonok, Vadim A.; Moriwaki, Hiroki; Magdesieva, Tatiana V.","Solvent-triggered stereoselectivity of α,α-cyclopropanation of amino acids in the Ni(ii) chiral coordination environment.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8636","8644","10.1039/d0dt01578d","","","1.54186","CuKα","","0.0664","0.0629","","","0.1799","0.184","","","","","","1.09","","","","has coordinates","253892","2020-10-21","18:00:00",""
"7704533","10.7157","0.0003","14.5951","0.0004","15.6241","0.0005","90","","109.162","0.001","90","","2308.17","0.12","187","2","187","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl2 Mn N5 O8 -","- C17 H29 Cl2 Mn N5 O8 -","- C68 H116 Cl8 Mn4 N20 O32 -","4","1","","Zahradníková, Eva; Herchel, Radovan; Šalitroš, Ivan; Císařová, Ivana; Drahoš, Bohuslav","Late first-row transition metal complexes of a 17-membered piperazine-based macrocyclic ligand: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9057","9069","10.1039/d0dt01392g","","","0.71073","MoKα","","0.0359","0.03","","","0.081","0.0832","","","","","","1.039","","","","has coordinates","254997","2020-10-21","18:00:00",""
"7704534","13.7424","0.0004","11.1169","0.0003","34.3592","0.001","90","","94.547","0.001","90","","5232.6","0.3","187","2","187","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H67 Cl4 Fe2 N13 O16 -","- C40 H67 Cl4 Fe2 N13 O16 -","- C160 H268 Cl16 Fe8 N52 O64 -","4","1","","Zahradníková, Eva; Herchel, Radovan; Šalitroš, Ivan; Císařová, Ivana; Drahoš, Bohuslav","Late first-row transition metal complexes of a 17-membered piperazine-based macrocyclic ligand: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9057","9069","10.1039/d0dt01392g","","","0.71073","MoKα","","0.0531","0.0483","","","0.1248","0.1277","","","","","","1.037","","","","has coordinates","254997","2020-10-21","18:00:00",""
"7704535","13.7377","0.0005","11.0795","0.0004","34.2895","0.0013","90","","94.086","0.001","90","","5205.8","0.3","187","2","187","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19.87 H33.31 Cl2 Co N6.44 O8 -","- C19.8729 H33.3094 Cl2 Co N6.43645 O8 -","- C158.983 H266.475 Cl16 Co8 N51.4916 O64 -","8","2","","Zahradníková, Eva; Herchel, Radovan; Šalitroš, Ivan; Císařová, Ivana; Drahoš, Bohuslav","Late first-row transition metal complexes of a 17-membered piperazine-based macrocyclic ligand: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9057","9069","10.1039/d0dt01392g","","","0.71073","MoKα","","0.0491","0.0453","","","0.1132","0.1154","","","","","","1.02","","","","has coordinates,has disorder","254997","2020-10-21","18:00:00",""
"7704536","8.833","0.005","18.065","0.005","18.265","0.005","90","","94.564","0.005","90","","2905","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N3 P Si -","- C28 H46 N3 P Si -","- C112 H184 N12 P4 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","0.71073","MoKα","","0.0502","0.0384","","","0.093","0.0985","","","","","","1.056","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704537","18.2783","0.0004","10.5426","0.0002","18.3984","0.0004","90","","94.109","0.002","90","","3536.27","0.13","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl2 N3 O P Pd Si -","- C32 H54 Cl2 N3 O P Pd Si -","- C128 H216 Cl8 N12 O4 P4 Pd4 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","1.5418","CuKα","","0.0467","0.0432","","","0.1187","0.1209","","","","","","1.079","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704538","18.1593","0.0002","20.9946","0.0002","23.5554","0.0002","90","","90","","90","","8980.43","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H61 N3 P2 Pd Si -","- C46 H61 N3 P2 Pd Si -","- C368 H488 N24 P16 Pd8 Si8 -","8","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","1.5418","CuKα","","0.0276","0.0255","","","0.0662","0.0677","","","","","","1.027","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704539","20.5915","0.0011","8.8479","0.0003","20.8528","0.0008","90","","109.118","0.005","90","","3589.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Ge N3 Ni P -","- C36 H58 Ge N3 Ni P -","- C144 H232 Ge4 N12 Ni4 P4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","0.71069","MoKα","","0.1865","0.0747","","","0.0798","0.1084","","","","","","1.011","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704540","9.6131","0.0011","11.5468","0.0013","17.891","0.002","90","","90.086","0.007","90","","1985.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 N10 S2 -","- C34 H56 N10 S2 -","- C68 H112 N20 S4 -","2","0.5","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","1.54178","CuKα","","0.0781","0.0616","","","0.172","0.1931","","","","","","1.045","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7704541","10.2809","0.0017","24.653","0.004","9.748","0.0014","90","","90.11","0.006","90","","2470.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F6 N2 O3 S -","- C22 H28 F6 N2 O3 S -","- C88 H112 F24 N8 O12 S4 -","4","1","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0616","0.0447","","","0.1094","0.1186","","","","","","1.05","","","","has coordinates","253893","2020-10-21","18:00:00",""
"7704542","14.7446","0.0007","14.7446","","34.4695","0.0018","90","","90","","90","","7493.8","0.5","150","2","150","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C32 H56 N8 S2 -","- C32 H56 N8 S2 -","- C256 H448 N64 S16 -","8","0.5","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0674","0.0429","","","0.1091","0.1216","","","","","","1.041","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7704543","9.2223","0.001","12.554","0.0016","20.447","0.003","90","","90","","90","","2367.3","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N5 O6 S -","- C19 H31 N5 O6 S -","- C76 H124 N20 O24 S4 -","4","1","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0496","0.0364","","","0.0859","0.092","","","","","","1.051","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7704544","8.5509","0.0009","29.906","0.003","8.803","0.0008","90","","92.19","0.006","90","","2249.5","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N4 O8 Zn2 -","- C22 H15 N4 O8 Zn2 -","- C88 H60 N16 O32 Zn8 -","4","1","","Sugamata, Koh; Takagi, Chikaze; Awano, Keiko; Iihama, Teruyuki; Minoura, Mao","Structural analysis of and selective CO<sub>2</sub> adsorption in mixed-ligand hydroxamate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9948","9952","10.1039/d0dt01105c","","","0.78291","Synchrotron","","0.0523","0.0462","","","0.1161","0.1219","","","","","","1.063","","","","has coordinates","254952","2020-10-21","18:00:00",""
"7704545","37.3165","0.0017","11.9989","0.0005","17.9499","0.0009","90","","102.058","0.002","90","","7859.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Co2 N5 O9 -","- C25 H22 Co2 N5 O9 -","- C200 H176 Co16 N40 O72 -","8","1","","Sugamata, Koh; Takagi, Chikaze; Awano, Keiko; Iihama, Teruyuki; Minoura, Mao","Structural analysis of and selective CO<sub>2</sub> adsorption in mixed-ligand hydroxamate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9948","9952","10.1039/d0dt01105c","","","0.71073","MoKα","","0.0662","0.0551","","","0.1732","0.1794","","","","","","1.12","","","","has coordinates,has disorder","254952","2020-10-21","18:00:00",""
"7704546","11.4938","0.0004","12.8694","0.0004","21.4788","0.0006","90","","90","","90","","3177.11","0.17","170","2","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 O2 P2 Pt S2 -","- C35 H32 O2 P2 Pt S2 -","- C140 H128 O8 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0263","0.0233","","","0.0511","0.0524","","","","","","1.021","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704547","12.1612","0.0005","13.3852","0.0005","23.743","0.001","90","","94.925","0.002","90","","3850.6","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O2 P2 Pt S2 -","- C36 H36 O2 P2 Pt S2 -","- C144 H144 O8 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0268","0.02","","","0.0424","0.045","","","","","","1.029","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704548","17.8196","0.0007","20.1432","0.001","17.8701","0.0009","90","","92.049","0.002","90","","6410.3","0.5","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H31 Cl O2 P2 Pt S2 -","- C34.5 H31 Cl O2 P2 Pt S2 -","- C276 H248 Cl8 O16 P16 Pt8 S16 -","8","2","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0897","0.0501","","","0.0863","0.1009","","","","","","1.04","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704549","18.343","0.002","19.8358","0.0019","15.1897","0.0017","90","","102.082","0.004","90","","5404.3","1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50.75 H51.5 Cl5.5 Fe O5 P2 Pt S2 -","- C50.75 H51.5 Cl5.5 Fe O5 P2 Pt S2 -","- C203 H206 Cl22 Fe4 O20 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.098","0.0736","","","0.1667","0.1822","","","","","","1.103","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704550","13.0406","0.0008","16.0671","0.0016","16.7995","0.0011","80.747","0.004","78.054","0.002","66.431","0.003","3144.4","0.4","150","2","149.99","","","","","","","","","9","P -1","-P 1","2","","","","- C66 H66 B Cl4 Na O5 P2 Pt S2 -","- C66 H66 B Cl4 Na O5 P2 Pt S2 -","- C132 H132 B2 Cl8 Na2 O10 P4 Pt2 S4 -","2","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0416","0.0319","","","0.0658","0.0712","","","","","","1.131","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704551","9.565","0.007","17.558","0.012","20.088","0.014","95.318","0.009","98.525","0.009","100.269","0.009","3258","4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H76 B Cl2 Na O8 P2 Pd S2 -","- C68 H76 B Cl2 Na O8 P2 Pd S2 -","- C136 H152 B2 Cl4 Na2 O16 P4 Pd2 S4 -","2","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0642","0.0489","","","0.1122","0.1215","","","","","","1.051","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704552","11.4906","0.0012","12.9099","0.0014","21.333","0.002","90","","90","","90","","3164.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 O2 P2 Pd S2 -","- C35 H32 O2 P2 Pd S2 -","- C140 H128 O8 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0389","0.0337","","","0.0728","0.0756","","","","","","1.056","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704553","12.247","0.003","13.509","0.004","23.332","0.007","90","","91.73","0.003","90","","3858.4","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O2 P2 Pd S2 -","- C36 H36 O2 P2 Pd S2 -","- C144 H144 O8 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0341","0.0298","","","0.0861","0.0939","","","","","","1.129","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704554","10.8886","0.0006","33.2871","0.0017","17.9102","0.0009","90","","106.057","0.001","90","","6238.3","0.6","150","2","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 B Fe Na O5 P2 Pt S2 -","- C72 H66 B Fe Na O5 P2 Pt S2 -","- C288 H264 B4 Fe4 Na4 O20 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","1.54178","CuKα","","0.1125","0.0961","","","0.1992","0.2065","","","","","","1.306","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704555","11.053","0.005","12.788","0.006","20.727","0.009","90","","97.308","0.006","90","","2906","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O2 P2 Pd S2 -","- C33 H28 O2 P2 Pd S2 -","- C132 H112 O8 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0621","0.0439","","","0.0849","0.0918","","","","","","1.086","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704556","17.797","0.007","20.004","0.007","17.816","0.007","90","","92.047","0.004","90","","6339","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H31 Cl O2 P2 Pd S2 -","- C34.5 H31 Cl O2 P2 Pd S2 -","- C276 H248 Cl8 O16 P16 Pd8 S16 -","8","2","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0321","0.0304","","","0.0689","0.0698","","","","","","1.106","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704557","18.363","0.004","19.821","0.004","15.185","0.003","90","","101.9","0.03","90","","5408","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Cl4 Fe O5 P2 Pd S2 -","- C50 H50 Cl4 Fe O5 P2 Pd S2 -","- C200 H200 Cl16 Fe4 O20 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0657","0.0438","","","0.0949","0.1197","","","","","","1.163","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704558","11.8434","0.0012","13.561","0.003","24.616","0.007","90","","101.568","0.014","90","","3873.2","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O5 P2 Pd S2 -","- C40 H42 O5 P2 Pd S2 -","- C160 H168 O20 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0261","0.0235","","","0.0609","0.0624","","","","","","1.052","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704559","14.133","0.0005","24.2766","0.001","22.0469","0.0009","90","","106.271","0.0015","90","","7261.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cl2 N2 O P2 Pd S2 -","- C36 H34 Cl2 N2 O P2 Pd S2 -","- C288 H272 Cl16 N16 O8 P16 Pd8 S16 -","8","2","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0661","0.0408","","","0.0837","0.1001","","","","","","1.054","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704560","18.64","0.007","17.432","0.007","22.044","0.009","90","","97.523","0.005","90","","7101","5","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C75 H72 B Cl6 Fe Na O5 P2 Pd S2 -","- C75 H72 B Cl6 Fe Na O5 P2 Pd S2 -","- C300 H288 B4 Cl24 Fe4 Na4 O20 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0675","0.0541","","","0.1319","0.1418","","","","","","1.069","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704561","10.2809","0.0005","16.2519","0.0007","18.8916","0.0009","90","","95.946","0.002","90","","3139.5","0.3","170","2","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N2 O P2 Pt S2 -","- C35 H32 N2 O P2 Pt S2 -","- C140 H128 N8 O4 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0619","0.0383","","","0.0629","0.0712","","","","","","1.13","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704562","11.1176","0.0004","12.7702","0.0005","20.875","0.0009","90","","97.101","0.001","90","","2941","0.2","170","2","169.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O2 P2 Pt S2 -","- C33 H28 O2 P2 Pt S2 -","- C132 H112 O8 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0392","0.0268","","","0.0478","0.0519","","","","","","1.116","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704563","11.6904","0.0005","13.5792","0.0006","24.868","0.0012","90","","101.911","0.002","90","","3862.7","0.3","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O5 P2 Pt S2 -","- C40 H42 O5 P2 Pt S2 -","- C160 H168 O20 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0693","0.0478","","","0.1012","0.1117","","","","","","1.051","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704564","5.7219","0.0002","15.7524","0.0005","12.0932","0.0004","90","","97.513","0.001","90","","1080.65","0.06","102","2","102","2","","","","","","","","6","P 1 21 1","P 2yb","4","PdHL2Cl2","","","- C15 H27 Cl2 N5 O7 Pd -","- C15 H27 Cl2 N5 O7 Pd -","- C30 H54 Cl4 N10 O14 Pd2 -","2","1","","Ozsváth, András; Diószegi, Róbert; Bényei, Attila Csaba; Buglyó, Péter","Pd(ii)-Complexes of a novel pyridinone based tripeptide conjugate: solution and solid state studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9254","9267","10.1039/d0dt01396j","","","0.71073","MoKα","","0.0233","0.0208","","","0.0449","0.0465","","","","","","1.049","","","","has coordinates","254974","2020-10-21","18:00:00",""
"7704565","13.976","0.003","10.721","0.002","10.339","0.002","90","","118.05","0.03","90","","1367.2","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0426","0.0403","","","0.098","0.0991","","","","","","1.018","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704566","10.427","0.002","10.778","0.002","13.058","0.003","90","","106.74","0.03","90","","1405.3","0.5","298","2","298","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 Cu N2 O2 -","- C30 H24 Br4 Cu N2 O2 -","- C60 H48 Br8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0207","0.0185","","","0.0424","0.043","","","","","","1.037","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704567","14.1169","0.0005","10.7071","0.0004","10.3296","0.0004","90","","117.78","0.001","90","","1381.38","0.09","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Br4 Cu N2 O2 -","- C30 H24 Br4 Cu N2 O2 -","- C60 H48 Br8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.029","0.0237","","","0.0473","0.0491","","","","","","1.041","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704568","10.33616","0.00017","10.64041","0.00015","13.0212","0.0002","90","","107.555","0.0017","90","","1365.39","0.04","140","0.1","140","0.1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C60 H48 Br4 Cl4 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","x-ray","1.54184","CuKα","","0.0248","0.0247","","","0.0654","0.0654","","","","","","1.06","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704569","14.04","0.003","10.708","0.002","10.439","0.002","90","","117.772","0.003","90","","1388.6","0.5","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C60 H48 Br4 Cl4 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0207","0.0193","","","0.0474","0.0483","","","","","","1.057","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704570","14.5549","0.0003","11.1475","0.0003","10.6074","0.0003","90","","118.18","0.001","90","","1517.06","0.07","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cu I4 N2 O2 -","- C30 H24 Cu I4 N2 O2 -","- C60 H48 Cu2 I8 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0506","0.0452","","","0.1132","0.1179","","","","","","1.054","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704571","8.57142","0.00006","14.70541","0.00011","11.09232","0.00008","90","","97.2834","0.0007","90","","1386.86","0.018","140.01","0.1","140.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","x-ray","1.54184","CuKα","","0.0251","0.0251","","","0.0655","0.0655","","","","","","1.043","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704572","14.5586","0.0003","11.1467","0.0002","10.6165","0.0002","90","","118.209","0.001","90","","1518.23","0.05","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cu I4 N2 O2 -","- C30 H24 Cu I4 N2 O2 -","- C60 H48 Cu2 I8 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0418","0.0329","","","0.0801","0.0844","","","","","","1.063","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704573","8.6322","0.0002","14.8439","0.0003","11.1572","0.0003","90","","97.871","0.001","90","","1416.16","0.06","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0378","0.0288","","","0.0659","0.0729","","","","","","0.993","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704574","16.0146","0.0005","7.3894","0.0003","14.6908","0.0005","90","","101.708","0.002","90","","1702.31","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Chakraborty, Sujaya; Lohar, Somenath; Dhara, Koushik; Ghosh, Raktim; Dam, Somasri; Zangrando, Ennio; Chattopadhyay, Pabitra","A new half-condensed Schiff base platform: structures and sensing of Zn<sup>2+</sup> and H<sub>2</sub>PO<sub>4</sub><sup>-</sup> ions in an aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8991","9001","10.1039/d0dt01594f","","","0.71073","MoKα","","0.0825","0.0471","","","0.1303","0.1734","","","","","","0.938","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7704575","21.562","0.005","21.886","0.005","15.803","0.003","90","","97.202","0.005","90","","7399","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H63 N9 O10 Zn2 -","- C86 H63 N9 O10 Zn2 -","- C344 H252 N36 O40 Zn8 -","4","0.5","","Chakraborty, Sujaya; Lohar, Somenath; Dhara, Koushik; Ghosh, Raktim; Dam, Somasri; Zangrando, Ennio; Chattopadhyay, Pabitra","A new half-condensed Schiff base platform: structures and sensing of Zn<sup>2+</sup> and H<sub>2</sub>PO<sub>4</sub><sup>-</sup> ions in an aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8991","9001","10.1039/d0dt01594f","","","0.71073","MoKα","","0.0713","0.0441","","","0.1191","0.136","","","","","","1.057","","","","has coordinates,has disorder","287929","2023-12-01","12:10:10",""
"7704576","8.905","0.0009","20.176","0.003","20.556","0.002","92.208","0.004","97.473","0.003","99.79","0.005","3601.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H70 Cl2 N12 O13 Re2 -","- C46 H28 Cl2 N6 O7 Re2 -","- C92 H56 Cl4 N12 O14 Re4 -","2","1","","Paul, Lucas A.; Rajabi, Sheida; Jooss, Christian; Meyer, Franc; Ebrahimi, Fatemeh; Siewert, Inke","A dinuclear rhenium complex in the electrochemically driven homogeneous and heterogeneous H<sup>+</sup>/CO<sub>2</sub>-reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8367","8374","10.1039/d0dt00381f","","","0.71073","MoKα","","0.0872","0.0434","","","0.0894","0.1001","","","","","","1.042","","","","has coordinates","253864","2020-10-21","18:00:00",""
"7704577","10.613","0.001","10.2771","0.001","12.5111","0.0012","90","","90","","90","","1364.6","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C10 H8 Ag F6 N4 P -","- C10 H8 Ag F6 N4 P -","- C40 H32 Ag4 F24 N16 P4 -","4","0.5","","Maity, Suvendu; Naskar, Kaushik; Bhowmik, Tanmay; Bera, Amalendu; Weyhermüller, Thomas; Sinha, Chittaranjan; Ghosh, Prasanta","Coordination polymers of Ag(i) and Hg(i) ions with 2,2'-azobispyridine: synthesis, characterization and enhancement of conductivity in the presence of Cu(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8438","8442","10.1039/d0dt01470b","","","0.71073","MoKα","","0.0373","0.0338","","","0.0874","0.0895","","","","","","1.136","","","","has coordinates","253891","2020-10-21","18:00:00",""
"7704578","15.7408","0.0009","16.2559","0.0009","15.888","0.002","90","","108.946","0.006","90","","3845.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F12 Hg2 N12 O P2 -","- C30 H24 F12 Hg2 N12 O P2 -","- C120 H96 F48 Hg8 N48 O4 P8 -","4","1","","Maity, Suvendu; Naskar, Kaushik; Bhowmik, Tanmay; Bera, Amalendu; Weyhermüller, Thomas; Sinha, Chittaranjan; Ghosh, Prasanta","Coordination polymers of Ag(i) and Hg(i) ions with 2,2'-azobispyridine: synthesis, characterization and enhancement of conductivity in the presence of Cu(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8438","8442","10.1039/d0dt01470b","","","0.71073","MoKα","","0.0311","0.0245","","","0.0558","0.0588","","","","","","1.104","","","","has coordinates","253891","2020-10-21","18:00:00",""
"7704579","8.28458","0.00009","15.15852","0.00017","16.5128","0.0002","90","","94.1801","0.0011","90","","2068.19","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 O4 Sn -","- C18 H32 N2 O4 Sn -","- C72 H128 N8 O16 Sn4 -","4","1","","Huster, Niklas; Zanders, David; Karle, Sarah; Rogalla, Detlef; Devi, Anjana","Additive-free spin coating of tin oxide thin films: synthesis, characterization and evaluation of tin β-ketoiminates as a new precursor class for solution deposition processes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10755","10764","10.1039/d0dt01463j","","x-ray","1.54184","CuKα","","0.0331","0.031","","","0.0818","0.0833","","","","","","1.061","","","","has coordinates","256098","2020-10-21","18:00:00",""
"7704580","12.5896","0.0002","17.1222","0.0003","13.0803","0.0003","90","","106.082","0.002","90","","2709.27","0.09","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4'-(hydroxybenzophenylidene))ethylenediaminenickel(II)","","- C31 H29 N3 Ni O5 -","- C31 H29 N3 Ni O5 -","- C124 H116 N12 Ni4 O20 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0684","0.0421","","","0.1042","0.1214","","","","","","1.033","","","","has coordinates,has disorder","257532","2020-10-21","18:00:00",""
"7704581","10.3061","0.0003","20.2032","0.0005","9.6204","0.0003","90","","106.606","0.003","90","","1919.58","0.1","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-(hydroxybenzophenylidene))-N'-salicylidineethylenediaminenickel(II)","","- C22 H19 N2 Ni O3.5 -","- C22 H19 N2 Ni O3.5 -","- C88 H76 N8 Ni4 O14 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0467","0.0327","","","0.08","0.0868","","","","","","1.049","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704582","10.6471","0.0004","26.9276","0.0013","28.5309","0.0016","65.563","0.005","84.047","0.004","83.883","0.003","7388.6","0.7","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C42 H48 N4 Ni O4 -","- C42 H48 N4 Ni O4 -","- C336 H384 N32 Ni8 O32 -","8","4","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","","1.54184","CuKα","","0.1262","0.0968","","0.1945","0.1772","0.1945","","","","","","0.9802","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704583","7.9887","0.0001","20.7141","0.0002","12.4586","0.0002","90","","98.92","0.001","90","","2036.7","0.05","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 Ni O6 -","- C22 H22 N2 Ni O6 -","- C88 H88 N8 Ni4 O24 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","1.54184","CuKα","","0.0412","0.0381","","0.0975","0.0954","0.0975","","","","","","1.0306","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704584","13.1465","0.0001","14.9679","0.0001","16.4141","0.0002","90","","107.358","0.0011","90","","3082.81","0.05","150","","150","","","","","","","","from U of Wollongong","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 Ni O6 S2 -","- C32 H34 N2 Ni O6 S2 -","- C128 H136 N8 Ni4 O24 S8 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","1.54184","CuKα","","0.0381","0.0362","","0.0993","0.0974","0.0993","","","","","","0.9963","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704585","13.4737","0.0003","18.9348","0.0003","8.402","0.0002","90","","101.792","0.002","90","","2098.3","0.08","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-(hydroxybenzophenylidene))-N'-(naphthalidine)ethylenediaminenickel(II)","","- C26 H22 N2 Ni O4 -","- C26 H22 N2 Ni O4 -","- C104 H88 N8 Ni4 O16 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0269","0.0256","","","0.0672","0.068","","","","","","1.062","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704586","18.92","0.0004","7.61382","0.00012","19.7486","0.0003","90","","99.5135","0.0016","90","","2805.73","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-((1-(2-ethyl)piperidine)oxy)benzophenylidene)-N'-(naphthalidine)ethylenediaminenickel(II)","","- C33 H33 N3 Ni O3 -","- C33 H33 N3 Ni O3 -","- C132 H132 N12 Ni4 O12 -","4","2","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0357","0.0307","","","0.0783","0.081","","","","","","1.031","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704587","9.9317","0.0003","14.6642","0.0006","14.9018","0.0005","84.318","0.003","76.97","0.003","73.292","0.003","2023.8","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","N,N'-Bis-(4'-((1-(2-ethyl)piperidine)oxy)benzophenylidene)ethylenediaminenickel(II)","","- C43 H48.96 Cl3 N4 Ni O4.15 -","- C43 H48.968 Cl3 N4 Ni O4.15 -","- C86 H97.936 Cl6 N8 Ni2 O8.3 -","2","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0452","0.0346","","","0.0846","0.089","","","","","","1.046","","","","has coordinates,has disorder","257532","2020-10-21","18:00:00",""
"7704588","10.9589","0.0007","10.9589","0.0007","11.1331","0.001","90","","90","","120","","1157.93","0.15","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba3 I18 O54 Ti3 -","- Ba3 I18 O54 Ti3 -","- Ba3 I18 O54 Ti3 -","1","0.0555556","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","New polymorphism for BaTi(IO<sub>3</sub>)<sub>6</sub> with two polymorphs crystallizing in the same space group.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8443","8447","10.1039/d0dt00593b","","","0.71073","MoKα","","0.0261","0.0232","","","0.0751","0.0824","","","","","","0.712","","","","has coordinates","253902","2020-10-21","18:00:00",""
"7704589","11.4412","0.0017","11.4412","0.0017","11.1418","0.0017","90","","90","","120","","1263.1","0.3","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba I6 O18 Ti -","- Ba I6 O18 Ti -","- Ba3 I18 O54 Ti3 -","3","0.166667","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","New polymorphism for BaTi(IO<sub>3</sub>)<sub>6</sub> with two polymorphs crystallizing in the same space group.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8443","8447","10.1039/d0dt00593b","","","0.71073","MoKα","","0.0255","0.0226","","","0.056","0.0575","","","","","","1.134","","","","has coordinates","253902","2020-10-21","18:00:00",""
"7704590","5.498","0.0002","13.6342","0.0006","18.1214","0.0006","72.607","0.003","85.403","0.003","80.601","0.004","1278.17","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H39 N Nd2 O20 -","- C57 H39 N Nd2 O20 -","- C57 H39 N Nd2 O20 -","1","0.5","","Bai, Yuting; Zhang, Shuo; Feng, Sisi; Zhu, Miaoli; Ma, Shengqian","The first ternary Nd-MOF/GO/Fe<sub>3</sub>O<sub>4</sub> nanocomposite exhibiting an excellent photocatalytic performance for dye degradation.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10745","10754","10.1039/d0dt01648a","","","1.54184","CuKα","","0.0323","0.0309","","","0.09","0.0915","","","","","","1.05","","","","has coordinates,has disorder","256091","2020-10-21","18:00:00",""
"7704591","13.8229","0.0011","13.8229","0.0011","24.906","0.002","90","","90","","90","","4758.9","0.7","110","2","110","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C8.25 H7 Ca0.5 O2.62 -","- C8.25 H4 Ca0.5 O2.625 -","- C132 H64 Ca8 O42 -","16","1","","Hu, Falu; Di, Zhengyi; Wu, Mingyan; Li, Jing","Building a robust 3D Ca-MOF by a new square Ca<sub>4</sub>O SBU for purification of natural gas.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8836","8840","10.1039/d0dt00943a","","","1.54184","CuKα","","0.0765","0.0734","","","0.2335","0.2387","","","","","","1.091","","","","has coordinates","254999","2020-10-21","18:00:00",""
"7704592","8.7662","0.0002","18.5608","0.0004","21.9662","0.0005","90","","99.627","0.002","90","","3523.74","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H28 F7 N6 P Ru -","- C39 H28 F7 N6 P Ru -","- C156 H112 F28 N24 P4 Ru4 -","4","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.0706","0.0739","","","","","","1.032","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704593","12.4892","0.0005","9.01","0.0003","17.9682","0.0008","90","","105.056","0.004","90","","1952.51","0.14","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C44 H31 F9 N5 P Ru -","- C44 H31 F9 N5 P Ru -","- C88 H62 F18 N10 P2 Ru2 -","2","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0579","0.0468","","","0.1142","0.122","","","","","","1.075","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704594","8.4069","0.0003","21.1667","0.0009","21.7727","0.0007","90","","99.448","0.003","90","","3821.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H32.5 F6 N6 P Ru -","- C42.5 H32.5 F6 N6 P Ru -","- C170 H130 F24 N24 P4 Ru4 -","4","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.058","0.0417","","","0.0895","0.096","","","","","","1.03","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704595","26.7258","0.0008","8.8028","0.0003","18.4875","0.0006","90","","107.27","0.003","90","","4153.3","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H33 F10 N6 P Ru -","- C46 H33 F10 N6 P Ru -","- C184 H132 F40 N24 P4 Ru4 -","4","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","x-ray","0.71073","MoKα","","0.0373","0.0351","","","0.0872","0.0897","","","","","","1.041","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704596","27.118","0.0007","9.132","0.0002","35.8913","0.0009","90","","106.414","0.003","90","","8525.9","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H29 F11 N5 P Ru -","- C44 H29 F11 N5 P Ru -","- C352 H232 F88 N40 P8 Ru8 -","8","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0483","0.034","","","0.0716","0.0789","","","","","","1.028","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704597","23.9804","0.0009","23.9804","0.0009","25.2619","0.0014","90","","90","","90","","14527.1","1.1","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H23 F10.5 N5.25 P1.25 Ru -","- C37 H23 F10.5 N5.25 P1.25 Ru -","- C592 H368 F168 N84 P20 Ru16 -","16","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.1083","0.0835","","","0.2108","0.2343","","","","","","1.084","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704598","24.0261","0.0004","24.0261","0.0004","25.2884","0.0007","90","","90","","90","","14597.8","0.5","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H24 F9.5 N5.25 P1.25 Ru -","- C37 H24 F9.5 N5.25 P1.25 Ru -","- C592 H384 F152 N84 P20 Ru16 -","16","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0849","0.0577","","","0.1454","0.1639","","","","","","1.027","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704599","12.766","0.003","25.504","0.005","14.908","0.003","90","","105","0.03","90","","4688.4","1.8","163","2","163.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al13 H42 Mo10 O89 P V2 -","- Al13 H42 Mo10 O89 P V2 -","- Al26 H84 Mo20 O178 P2 V4 -","2","0.5","","Yu, Jialin; Gao, Qi; Zhang, Lijuan; Zhou, Yunshan; Zhong, Yuxu; Yin, Jianbo; Zhou, Yuanyuan; Tao, Fangsheng; Wang, Yong'an","A dual-function all-inorganic intercluster salt comprising the polycation ε-[Al<sub>13</sub>O<sub>4</sub>(OH)<sub>24</sub>(H<sub>2</sub>O)<sub>12</sub>]<sup>7+</sup> and polyanion α-[PMo<sub>10</sub>V<sub>2</sub>O<sub>40</sub>]<sup>5-</sup> for detoxifying sulfur mustard and soman.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8122","8135","10.1039/d0dt01307b","","","0.71073","MoKα","","0.1155","0.105","","","0.2625","0.2712","","","","","","1.121","","","","has coordinates,has disorder","253853","2020-10-21","18:00:00",""
"7704600","15.1305","0.0007","10.1117","0.0003","29.952","0.0009","90","","90","","90","","4582.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N8 S -","- C25 H20 N8 S -","- C200 H160 N64 S8 -","8","1","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0996","0.079","","","0.2492","0.2784","","","","","","1.068","","","","has coordinates","254984","2020-10-21","18:00:00",""
"7704601","8.7077","0.0012","10.2766","0.0013","11.6856","0.0013","72.85","0.011","75.004","0.011","86.999","0.011","964.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B2 Cu F8 N12 -","- C38 H32 B2 Cu F8 N12 -","- C38 H32 B2 Cu F8 N12 -","1","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.1195","0.0804","","","0.2147","0.2821","","","","","","1.053","","","","has coordinates,has disorder","254984","2020-10-21","18:00:00",""
"7704602","8.4563","0.0008","10.9214","0.0012","15.1689","0.0018","71.891","0.01","78.582","0.009","71.33","0.009","1253.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H56 Cu F6 N12 O6 S2 Si -","- C40 H40 Cu F6 N12 O2 S2 Si -","- C40 H40 Cu F6 N12 O2 S2 Si -","1","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0559","0.0401","","","0.0673","0.0766","","","","","","0.856","","","","has coordinates","254984","2020-10-21","18:00:00",""
"7704603","41.5083","0.0004","41.5083","0.0004","5.5816","0.0001","90","","90","","90","","9616.8","0.2","129","7","129","7","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H24 N8 S -","- C27 H24 N8 S -","- C432 H384 N128 S16 -","16","1","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0638","0.051","","","0.1286","0.1366","","","","","","1.05","","","","has coordinates,has disorder","254984","2020-10-21","18:00:00",""
"7704604","11.5387","0.0005","16.3557","0.0005","16.1961","0.0007","90","","106.089","0.005","90","","2936.9","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55.2 Cu F6 N16 O3.6 S2 Si -","- C54 H48 Cu F6 N16 S2 Si -","- C108 H96 Cu2 F12 N32 S4 Si2 -","2","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0777","0.0586","","","0.1521","0.173","","","","","","1.016","","","","has coordinates","254984","2020-10-21","18:00:00",""
"7704605","10.6299","0.0003","16.4545","0.0004","16.1189","0.0007","90","","110.83","0.003","90","","2635.08","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51.4 Cu F6 N14 O0.7 Si -","- C52 H50 Cu F6 N14 Si -","- C104 H100 Cu2 F12 N28 Si2 -","2","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0631","0.0559","","","0.1711","0.1829","","","","","","1.062","","","","has coordinates,has disorder","254984","2020-10-21","18:00:00",""
"7704606","10.9163","0.0008","12.1628","0.0011","14.3254","0.0011","81.776","0.003","78.831","0.002","89.496","0.003","1846.5","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 F2 N2 O4 Pt2 -","- C38 H46 F2 N2 O4 Pt2 -","- C76 H92 F4 N4 O8 Pt4 -","2","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.069","0.0549","","","0.1244","0.1329","","","","","","1.063","","","","has coordinates","253900","2020-10-21","18:00:00",""
"7704607","43.3764","0.0014","6.9415","0.0002","18.5322","0.0005","90","","115.065","0.001","90","","5054.5","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 F2 N2 O2 Pt -","- C27 H28 F2 N2 O2 Pt -","- C216 H224 F16 N16 O16 Pt8 -","8","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.0319","0.0239","","","0.0516","0.0553","","","","","","1.047","","","","has coordinates,has disorder","253900","2020-10-21","18:00:00",""
"7704608","10.4374","0.0003","13.3848","0.0004","19.0129","0.0005","90.1","0.001","98.465","0.001","106.929","0.001","2510.57","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F2 N2 O2 Pt -","- C27 H28 F2 N2 O2 Pt -","- C108 H112 F8 N8 O8 Pt4 -","4","2","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.0353","0.027","","","0.0577","0.0612","","","","","","1.034","","","","has coordinates,has disorder","253900","2020-10-21","18:00:00",""
"7704609","9.53","0.0002","11.9914","0.0003","21.2884","0.0005","90","","98.384","0.001","90","","2406.8","0.1","172","","172","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 F2 N2 O2 Pt -","- C27 H28 F2 N2 O2 Pt -","- C108 H112 F8 N8 O8 Pt4 -","4","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.032","0.0233","","","0.0443","0.0479","","","","","","1.052","","","","has coordinates,has disorder","253900","2020-10-21","18:00:00",""
"7704610","16.1719","0.0004","9.6253","0.0003","25.168","0.0007","90","","91.421","0.001","90","","3916.43","0.19","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Cl2 F2 N2 O4 Pt2 -","- C39 H48 Cl2 F2 N2 O4 Pt2 -","- C156 H192 Cl8 F8 N8 O16 Pt8 -","4","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.031","0.0244","","","0.055","0.0583","","","","","","1.008","","","","has coordinates","253900","2020-10-21","18:00:00",""
"7704611","44.9573","0.0017","44.9573","0.0017","25.3111","0.0009","90","","90","","120","","44304","3","294","2","294.61","","","","","","","","","7","P 61","P 61","169","","","","- C24 H170 Eu4 K14 O236 Te4 W42 -","- C24 H31 Eu4 K2 O192 Te4 W42 -","- C144 H186 Eu24 K12 O1152 Te24 W252 -","6","1","","Zhang, Yan; Wang, Dan; Zeng, Baoxing; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","An unprecedented polyhydroxycarboxylic acid ligand bridged multi-Eu<sup>III</sup> incorporated tellurotungstate and its luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8933","8948","10.1039/d0dt00729c","","","0.71073","MoKα","","0.0607","0.0408","","","0.0857","0.0902","","","","","","1.039","","","","has coordinates","254989","2020-10-21","18:00:00",""
"7704612","9.8073","0.001","10.4055","0.0012","13.9823","0.0015","86.328","0.004","82.101","0.004","74.962","0.004","1364.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.85 H22.15 Dy N6.15 O8 -","- C26.85 H22.15 Dy N6.15 O8 -","- C53.7 H44.3 Dy2 N12.3 O16 -","2","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.0277","0.0224","","","0.0462","0.0486","","","","","","1.083","","","","has coordinates,has disorder","253856","2020-10-21","18:00:00",""
"7704613","19.188","0.004","18.419","0.004","12.866","0.003","90","","102.517","0.007","90","","4439.1","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H39 Cl2 Dy2 N7 O8 -","- C47 H39 Cl2 Dy2 N7 O8 -","- C188 H156 Cl8 Dy8 N28 O32 -","4","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.112","0.0761","","","0.193","0.2123","","","","","","1.066","","","","has coordinates","253856","2020-10-21","18:00:00",""
"7704614","13.9344","0.0008","8.2685","0.0005","20.4164","0.0011","90","","100.009","0.002","90","","2316.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Dy N4 O9 -","- C21 H25 Dy N4 O9 -","- C84 H100 Dy4 N16 O36 -","4","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.0221","0.0216","","","0.0535","0.0537","","","","","","1.446","","","","has coordinates,has disorder","253856","2020-10-21","18:00:00",""
"7704615","10.3588","0.0006","14.8159","0.001","17.2043","0.0011","90","","94.679","0.003","90","","2631.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Dy0.09 N6 O8 Y0.91 -","- C25 H29 Dy0.0937 N6 O8 Y0.9063 -","- C100 H116 Dy0.3748 N24 O32 Y3.6252 -","4","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.0581","0.0355","","","0.0602","0.0682","","","","","","1.055","","","","has coordinates","253856","2020-10-21","18:00:00",""
"7704616","9.2355","0.0005","11.6706","0.0007","11.946","0.0009","112.721","0.006","99.37","0.005","109.507","0.005","1054.57","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Cl4 Cu2 N12 O20 -","- C24 H54 Cl4 Cu2 N12 O20 -","- C24 H54 Cl4 Cu2 N12 O20 -","1","0.5","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0446","0.0354","","","0.0805","0.0877","","","","","","1.074","","","","has coordinates","253904","2020-10-21","18:00:00",""
"7704617","16.781","0.0005","9.134","0.0001","21.372","0.0006","90","","95.981","0.001","90","","3258.02","0.14","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H50.74 Br0.44 Cl1.56 Cu2 N12 O2.37 -","- C24 H50.748 Br0.437 Cl1.563 Cu2 N12 O2.374 -","- C96 H202.992 Br1.748 Cl6.252 Cu8 N48 O9.496 -","4","1","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0809","0.0457","","","0.1203","0.1346","","","","","","1.044","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704618","11.1587","0.0005","22.0003","0.001","17.5957","0.0007","90","","90","","90","","4319.7","0.3","120","0.1","120","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H28.07 Br0.27 Cl1.69 Cu2 N6 O6.93 -","- C14 H28.071 Br0.2715 Cl1.693 Cu2 N6 O6.929 -","- C112 H224.568 Br2.172 Cl13.544 Cu16 N48 O55.432 -","8","1","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0637","0.0426","","","0.0973","0.1093","","","","","","1.034","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704619","11.1975","0.0007","8.9313","0.0005","16.2321","0.0011","90","","92.643","0.002","90","","1621.62","0.17","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Cl Cu N6 O4 -","- C12 H23 Cl Cu N6 O4 -","- C48 H92 Cl4 Cu4 N24 O16 -","4","1","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0534","0.0317","","","0.0755","0.0882","","","","","","1.097","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704620","12.8708","0.0007","19.3357","0.0011","19.8511","0.0007","90","","104.852","0.004","90","","4775.2","0.4","120","0.1","120","0.1","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C28 H59.75 Br0.67 Cl3.33 Cu1.61 N12 O12.87 Pd2.39 -","- C28 H59.74 Br0.6666 Cl3.3333 Cu1.616 N12 O12.87 Pd2.384 -","- C112 H238.96 Br2.6664 Cl13.3332 Cu6.464 N48 O51.48 Pd9.536 -","4","0.5","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.1078","0.0759","","","0.2041","0.2366","","","","","","1.031","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704621","57.57","0.016","24.215","0.007","18.769","0.005","90","","103.351","0.003","90","","25458","12","163","","163","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 Cr9 Mo24 N18 O128 P2 -","- C54 H54 Cr9 Mo24 N18 O128 P2 -","- C216 H216 Cr36 Mo96 N72 O512 P8 -","4","0.5","","Shimoyama, Yuto; Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Isostructural mesoporous ionic crystals as a tunable platform for acid catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10328","10333","10.1039/d0dt01202e","","","0.71075","MoKα","","0.0802","0.0665","","","0.1669","0.1775","","","","","","1.071","","","","has coordinates","257523","2020-10-21","18:00:00",""
"7704622","14.0191","0.0003","8.1024","0.0001","22.9207","0.0005","90","","104.543","0.002","90","","2520.11","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","C24 H26 Cl Cu Hg1.05 N4 O6","C24 H26 Cl Cu Hg1.05 N4 O6","","- C24 H26 Cl Cu0.94 Hg1.06 N4 O6 -","- C24 H26 Cl Cu0.9353 Hg1.0647 N4 O6 -","- C96 H104 Cl4 Cu3.7412 Hg4.2588 N16 O24 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0266","0.0246","","","0.0554","0.0564","","","","","","1.102","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704623","8.6888","0.0004","9.63","0.0004","9.8966","0.0004","86.084","0.003","77.097","0.004","75.575","0.004","781.65","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cu2 Hg2 I2 N4 -","- C36 H24 Cu2 Hg2 I2 N4 -","- C36 H24 Cu2 Hg2 I2 N4 -","1","0.5","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.1149","0.1045","","","0.3011","0.3145","","","","","","1.44","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704624","13.9476","0.0003","23.8594","0.0004","25.8161","0.0005","90","","99.154","0.002","90","","8481.7","0.3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","C40 H36 Cl2 Cu2 Hg2 N4 O10 S2","C40 H36 Cl2 Cu2 Hg2 N4 O10 S2","","- C20 H18 Cl Cu Hg N2 O5 S -","- C20 H18 Cl Cu Hg N2 O5 S -","- C320 H288 Cl16 Cu16 Hg16 N32 O80 S16 -","16","2","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0601","0.0392","","","0.0828","0.0922","","","","","","1.039","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704625","24.8547","0.0004","7.3001","0.0001","23.4383","0.0005","90","","90","","90","","4252.69","0.13","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H38 Ag2 Cl2 Hg2 N6 O10 -","- C42 H38 Ag2 Cl2 Hg2 N6 O10 -","- C168 H152 Ag8 Cl8 Hg8 N24 O40 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0472","0.0354","","","0.0666","0.0705","","","","","","1.028","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704626","11.9206","0.0003","12.2385","0.0003","13.1387","0.0003","90","","101.168","0.002","90","","1880.51","0.08","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Ag F3 Hg N2 O3 S -","- C19 H12 Ag F3 Hg N2 O3 S -","- C76 H48 Ag4 F12 Hg4 N8 O12 S4 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0316","0.0281","","","0.0644","0.0662","","","","","","1.037","","","","has coordinates","254985","2020-10-21","18:00:00",""
"7704627","10.3169","0.0002","13.0213","0.0002","19.6309","0.0003","77.826","0.001","76.028","0.001","88.725","0.001","2500.49","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H15 F6 Hg N3 O4 Pd -","- C24 H15 F6 Hg N3 O4 Pd -","- C96 H60 F24 Hg4 N12 O16 Pd4 -","4","2","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0265","0.0233","","","0.0512","0.0532","","","","","","1.028","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704628","4.7892","0.0001","11.4477","0.0003","25.3709","0.0006","90","","90.263","0.002","90","","1390.95","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Hg -","- C20 H14 Hg -","- C80 H56 Hg4 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0361","0.0297","","","0.0727","0.0762","","","","","","1.046","","","","has coordinates","254985","2020-10-21","18:00:00",""
"7704629","12.3384","0.0002","12.338","0.0002","20.3411","0.0004","90","","98.209","0.002","90","","3064.82","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F6 N2 O7 Pd2 S2 -","- C26 H26 F6.003 N2 O7 Pd2 S2 -","- C104 H104 F24.012 N8 O28 Pd8 S8 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0274","0.0236","","","0.0524","0.0542","","","","","","1.034","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704630","12.8571","0.0009","13.1664","0.0007","14.465","0.0007","65.49","0.005","65.606","0.006","78.756","0.005","2028.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H48 Au4 F12 Hg4 N8 O12 S4 -","- C76 H48 Au4 F12 Hg4 N8 O12 S4 -","- C76 H48 Au4 F12 Hg4 N8 O12 S4 -","1","0.5","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.187","0.1489","","","0.3726","0.3948","","","","","","2.067","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704631","7.5088","0.0001","12.5773","0.0002","20.8765","0.0003","89.667","0.001","79.649","0.001","88.253","0.001","1938.6","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H15 Ag Cl Hg N3 O4 -","- C20 H15 Ag Cl Hg N3 O4 -","- C80 H60 Ag4 Cl4 Hg4 N12 O16 -","4","2","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0393","0.0344","","","0.0633","0.0653","","","","","","1.008","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704632","6.8295","0.0002","22.1537","0.0005","12.765","0.0003","90","","101.436","0.003","90","","1892.98","0.09","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 Cu1.81 F6 Hg2.19 N4 O6 S2 -","- C38 H24 Cu1.8122 F6 Hg2.1878 N4 O6 S2 -","- C76 H48 Cu3.6244 F12 Hg4.3756 N8 O12 S4 -","2","0.5","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0458","0.034","","","0.0696","0.0735","","","","","","1.103","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704633","13.322","0.003","17.259","0.004","20.667","0.004","66.58","0.03","88.35","0.03","87.91","0.03","4356.9","1.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C86.76 H126.51 Cl1.51 Lu N3 O6.5 -","- C86.76 H126.52 Cl1.52 Lu N3 O6.5 -","- C173.52 H253.04 Cl3.04 Lu2 N6 O13 -","2","1","","Mouchel Dit Leguerrier, D.; Barré, R; Bryden, M.; Imbert, D.; Philouze, C.; Jarjayes, O.; Luneau, D.; Molloy, J. K.; Thomas, F.","Structural and spectroscopic investigations of nine-coordinate redox active lanthanide complexes with a pincer O,N,O ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8238","8246","10.1039/d0dt01388a","","x-ray","0.71073","MoKα","","0.1652","0.1424","","","0.3588","0.3917","","","","","","1.679","","","","has coordinates,has disorder","253857","2020-10-21","18:00:00",""
"7704634","13.308","0.003","21.282","0.004","29.272","0.006","90","","93.35","0.03","90","","8276","3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 Gd N3 O6 -","- C84 H120 Gd N3 O6 -","- C336 H480 Gd4 N12 O24 -","4","1","","Mouchel Dit Leguerrier, D.; Barré, R; Bryden, M.; Imbert, D.; Philouze, C.; Jarjayes, O.; Luneau, D.; Molloy, J. K.; Thomas, F.","Structural and spectroscopic investigations of nine-coordinate redox active lanthanide complexes with a pincer O,N,O ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8238","8246","10.1039/d0dt01388a","","x-ray","0.71073","MoKα","","0.0856","0.0498","","","0.1067","0.126","","","","","","1.125","","","","has coordinates,has disorder","253857","2020-10-21","18:00:00",""
"7704635","12.2153","0.0006","13.1499","0.0007","13.2104","0.0007","103.123","0.0017","91.7443","0.0016","97.8182","0.0017","2043.22","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(^H^ap)2Os(OCH2CH2O) . 0.5 C6H14","Bis(2-phenylimido-4,6-di-tert-butylphenoxo)ethyleneglycolato-osmium(VI) hemi-hexane solvate","","- C45 H61 N2 O4 Os -","- C45 H61 N2 O4 Os -","- C90 H122 N4 O8 Os2 -","2","1","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0438","0.0357","","","0.0672","0.0692","","","","","","1.121","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704636","10.1408","0.0004","16.5112","0.0006","15.0329","0.0005","90","","96.694","0.001","90","","2499.9","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(^H^ap)OsO(pin)","Oxo(pinacolato)(2-(phenylimido)-4,6-di-tert-butylphenoxo)-osmium(VI)","","- C26 H37 N O4 Os -","- C26 H37 N O4 Os -","- C104 H148 N4 O16 Os4 -","4","1","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0242","0.0195","","","0.0422","0.0436","","","","","","1.04","","","","has coordinates","253897","2020-10-21","18:00:00",""
"7704637","13.142","0.003","11.273","0.003","9.569","0.002","90","","102.307","0.005","90","","1385.1","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ethylene glycol dianthranilate","1,2-Ethanediyldi-2-aminobenzoate","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0593","0.0385","","","0.0951","0.1035","","","","","","1.074","","","","has coordinates","253897","2020-10-21","18:00:00",""
"7704638","16.8082","0.0007","40.829","0.002","12.5096","0.0007","90","","90","","90","","8584.9","0.7","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","Os(^Ph^ap)~2~Cl~2~ . CDCl~3~","Cis-bis-(2-(phenylimido)-4,6-di-tert-butylphenoxo)dichloroosmium(VI) chloroform solvate","","- C41 H50 Cl5 D N2 O2 Os -","- C41 H50 Cl5 D N2 O2 Os -","- C328 H400 Cl40 D8 N16 O16 Os8 -","8","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0156","0.014","","","0.0322","0.0327","","","","","","1.047","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704639","16.763","0.0014","40.36","0.004","12.3474","0.0014","90","","90","","90","","8353.7","1.4","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","Os(^Ph^ap)~2~Cl~2~ . CD~2~Cl~2~","Cis-bis-(2-(phenylimido)-4,6-di-tert-butylphenoxo)dichloroosmium(VI) deuterodichloromethane solvate","","- C41 H50 Cl4 D2 N2 O2 Os -","- C41 H50 Cl4 D2 N2 O2 Os -","- C328 H400 Cl32 D16 N16 O16 Os8 -","8","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0322","0.0256","","","0.0472","0.0488","","","","","","1.057","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704640","13.0153","0.0006","13.1218","0.0007","14.0466","0.0006","105.229","0.002","104.496","0.0019","108.18","0.002","2049.6","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(Egan)OsO","(Oxo)(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)amido)-benzoate)osmium(VI)","","- C44 H52 N2 O7 Os -","- C44 H52 N2 O7 Os -","- C88 H104 N4 O14 Os2 -","2","1","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0156","0.014","","","0.0332","0.0336","","","","","","1.046","","","","has coordinates","253897","2020-10-21","18:00:00",""
"7704641","9.9104","0.0005","13.649","0.0007","17.3574","0.0009","99.61","0.002","106.439","0.002","94.958","0.002","2198","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cl2 Dy2 N4 O13 -","- C40 H46 Cl2 Dy2 N4 O13 -","- C80 H92 Cl4 Dy4 N8 O26 -","2","1","","Huang, Yuan; Li, Jia-Xin; Ge, Yu; Zhang, Xia-Mei; Xu, Yang; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-Lei","Designing asymmetric Dy<sub>2</sub> single-molecule magnets with two-step relaxation processes by the modification of the coordination environments of Dy(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8976","8984","10.1039/d0dt01619e","","","0.71073","MoKα","","0.0419","0.0277","","","0.0607","0.0653","","","","","","1.069","","","","has coordinates","254998","2020-10-21","18:00:00",""
"7704642","9.8154","0.0006","15.4086","0.0009","19.4191","0.0012","68.245","0.002","75.962","0.002","79.189","0.002","2630.7","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45.5 Cl3 Dy2 N4 O13.5 -","- C48 H45.5 Cl3 Dy2 N4 O13.5 -","- C96 H91 Cl6 Dy4 N8 O27 -","2","1","","Huang, Yuan; Li, Jia-Xin; Ge, Yu; Zhang, Xia-Mei; Xu, Yang; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-Lei","Designing asymmetric Dy<sub>2</sub> single-molecule magnets with two-step relaxation processes by the modification of the coordination environments of Dy(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8976","8984","10.1039/d0dt01619e","","","0.71073","MoKα","","0.0419","0.0296","","","0.0735","0.0803","","","","","","1.065","","","","has coordinates","254998","2020-10-21","18:00:00",""
"7704643","11.562","0.003","14.067","0.004","13.652","0.004","90","","91.83","0.004","90","","2219.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl2 Cu N6 O8 -","- C16 H26 Cl2 Cu N6 O8 -","- C64 H104 Cl8 Cu4 N24 O32 -","4","1","","Sharma, Mitu; Ganeshpandian, Mani; Majumder, Munmi; Tamilarasan, Ajaykamal; Sharma, Mukesh; Mukhopadhyay, Rupak; Islam, Nashreen S.; Palaniandavar, Mallayan","Octahedral copper(ii)-diimine complexes of triethylenetetramine: effect of stereochemical fluxionality and ligand hydrophobicity on Cu<sup>II</sup>/Cu<sup>I</sup> redox, DNA binding and cleavage, cytotoxicity and apoptosis-inducing ability.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8282","8297","10.1039/d0dt00928h","","","0.7107","MoKα","","0.0654","0.0595","","","0.1806","0.1902","","","","","","1.107","","","","has coordinates","253860","2020-10-21","18:00:00",""
"7704644","11.822","0.002","13.985","0.003","13.983","0.003","90","","93.685","0.002","90","","2307","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 Cu N6 O8 -","- C18 H26 Cl2 Cu N6 O8 -","- C72 H104 Cl8 Cu4 N24 O32 -","4","1","","Sharma, Mitu; Ganeshpandian, Mani; Majumder, Munmi; Tamilarasan, Ajaykamal; Sharma, Mukesh; Mukhopadhyay, Rupak; Islam, Nashreen S.; Palaniandavar, Mallayan","Octahedral copper(ii)-diimine complexes of triethylenetetramine: effect of stereochemical fluxionality and ligand hydrophobicity on Cu<sup>II</sup>/Cu<sup>I</sup> redox, DNA binding and cleavage, cytotoxicity and apoptosis-inducing ability.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8282","8297","10.1039/d0dt00928h","","","0.71075","MoKα","","0.0666","0.0469","","","0.106","0.1172","","","","","","0.913","","","","has coordinates","253860","2020-10-21","18:00:00",""
"7704645","43.352","0.007","12.991","0.002","18.555","0.003","90","","101.839","0.004","90","","10228","3","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H76 Ag7 Eu2 I13 O16 S16 -","- C32 H76 Ag7 Eu2 I13 O16 S16 -","- C128 H304 Ag28 Eu8 I52 O64 S64 -","4","0.5","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.1122","0.0944","","","0.2588","0.274","","","","","","1.033","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704646","12.4723","0.0004","23.4245","0.001","21.0231","0.0008","90","","99.65","0.003","90","","6055.1","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Eu I10 O8 S8 -","- C16 H48 Ag7 Eu I10 O8 S8 -","- C64 H192 Ag28 Eu4 I40 O32 S32 -","4","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.0841","0.055","","","0.1309","0.1423","","","","","","1.065","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704647","43.485","0.016","13.005","0.005","18.69","0.007","90","","102.214","0.01","90","","10330","7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H92 Ag7 I13 O16 S16 Tb2 -","- C32 H92 Ag7 I13 O16 S16 Tb2 -","- C128 H368 Ag28 I52 O64 S64 Tb8 -","4","0.5","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.1182","0.1035","","","0.272","0.29","","","","","","1.063","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704648","31.7458","0.0016","19.7768","0.0011","22.4989","0.001","90","","125.664","0.001","90","","11476.3","1","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Ag6 I9 O8 S8 Tb -","- C16 H48 Ag6 I9 O8 S8 Tb -","- C128 H384 Ag48 I72 O64 S64 Tb8 -","8","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.084","0.0611","","","0.1442","0.1543","","","","","","1.081","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704649","5.78","0.012","9.72","0.02","10.63","0.02","90","","90","","90","","597","2","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B I O7 Pb6 -","- B I O7 Pb6 -","- B2 I2 O14 Pb12 -","2","0.25","","Li, Kuan; Yalikun, Alimujiang; Su, Zhi","[O<sub>2</sub>Pb<sub>3</sub>]<sub>2</sub>(BO<sub>3</sub>)I: a new lead borate iodide with [O<sub>2</sub>Pb<sub>3</sub>] double chains.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8985","8990","10.1039/d0dt01722a","","","0.71073","MoKα","","0.0895","0.0565","","","0.1192","0.1322","","","","","","0.973","","","","has coordinates","254986","2020-10-21","18:00:00",""
"7704650","17.9852","0.0016","9.8972","0.0008","19.7318","0.0017","90","","92.578","0.002","90","","3508.8","0.5","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H34 Cl2 F6 N3 P Ru -","- C34.5 H34 Cl2 F6 N3 P Ru -","- C138 H136 Cl8 F24 N12 P4 Ru4 -","4","2","","Chen, Shujiao; Liu, Xicheng; Huang, Jie; Ge, Xingxing; Wang, Qinghui; Yao, Meimei; Shao, Yue; Liu, Tong; Yuan, Xiang-Ai; Tian, Laijin; Liu, Zhe","Triphenylamine/carbazole-modified ruthenium(ii) Schiff base compounds: synthesis, biological activity and organelle targeting.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8774","8784","10.1039/d0dt01547d","","","0.71073","MoKα","","0.0931","0.0598","","","0.1268","0.1428","","","","","","0.882","","","","has coordinates,has disorder","253901","2020-10-21","18:00:00",""
"7704651","11.8","0.005","12.969","0.005","24.229","0.01","89.705","0.016","76.042","0.011","79.798","0.012","3539","3","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H33 Cl2 N5 O7 Ru -","- C33.5 H33 Cl2 N5 O7 Ru -","- C134 H132 Cl8 N20 O28 Ru4 -","4","2","","Chandra, Shubhadeep; Weisser, Fritz; Klenk, Sinja; Beerhues, Julia; Schweinfurth, David; Sarkar, Biprajit","Dinuclear Ru<sup>II</sup> complexes with quinonoid bridges: tuning the electrochemical and spectroscopic properties of redox-switchable NIR dyes through judicious bridge design.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8354","8366","10.1039/d0dt01351j","","","0.71073","MoKα","","0.1129","0.0637","","","0.105","0.1186","","","","","","1.048","","","","has coordinates","253865","2020-10-21","18:00:00",""
"7704652","15.9398","0.0005","7.9962","0.0003","17.9686","0.0005","90","","103.758","0.003","90","","2224.53","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PH2C(O)NH[Fe]","","- C11 H12 Fe N O P -","- C11 H12 Fe N O P -","- C88 H96 Fe8 N8 O8 P8 -","8","2","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","1.54178","CuKα","","0.065","0.0442","","","0.1016","0.1134","","","","","","1.02","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704653","7.6871","0.0004","11.1384","0.0006","11.9077","0.0006","78.737","0.002","84.523","0.002","83.307","0.002","990.34","0.09","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H46 Cl2 Fe2 N2 O2 P2 Ru2 -","- C40 H46 Cl2 Fe2 N2 O2 P2 Ru2 -","- C40 H46 Cl2 Fe2 N2 O2 P2 Ru2 -","1","0.5","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.0412","0.0292","","","0.0581","0.0612","","","","","","1.089","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704654","20.2447","0.0008","9.5396","0.0004","10.8062","0.0004","90","","94.591","0.002","90","","2080.27","0.14","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 Fe N O P Ru -","- C20 H24 Cl2 Fe N O P Ru -","- C80 H96 Cl8 Fe4 N4 O4 P4 Ru4 -","4","1","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.0256","0.0199","","","0.0443","0.0463","","","","","","1.06","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704655","11.0602","0.0003","14.4369","0.0004","13.1738","0.0004","90","","92.044","0.001","90","","2102.19","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C84 H104 Cl4 Fe4 N4 O4 P4 Rh4 -","2","0.5","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.056","0.0458","","","0.1153","0.1221","","","","","","1.105","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704656","25.6521","0.0007","9.061","0.0002","20.9168","0.0006","90","","119.429","0.001","90","","4234.4","0.2","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C168 H208 Cl8 Fe8 N8 O8 P8 Rh8 -","4","0.5","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.0241","0.0194","","","0.0448","0.0468","","","","","","1.052","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704657","9.6692","0.0002","9.2447","0.0002","25.8542","0.0006","90","","90","","90","","2311.08","0.09","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","PH2C(O)NHCH2[Fe]","","- C12 H14 Fe N O P -","- C12 H14 Fe N O P -","- C96 H112 Fe8 N8 O8 P8 -","8","1","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","1.54178","CuKα","","0.0336","0.0278","","","0.0661","0.0699","","","","","","1.058","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704658","10.5277","0.0005","17.6961","0.0008","21.667","0.001","90","","101.098","0.005","90","","3961.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H65 N5 Si3 -","- C37 H65 N5 Si3 -","- C148 H260 N20 Si12 -","4","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","1.54184","CuKα","","0.0685","0.0445","","","0.1021","0.1146","","","","","","1.028","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704659","11.5822","0.0005","22.3841","0.0009","17.9474","0.0009","90","","102.035","0.004","90","","4550.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 N4 P Si3 -","- C43 H71 N4 P Si3 -","- C172 H284 N16 P4 Si12 -","4","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","0.71073","MoKα","","0.1166","0.0601","","","0.1077","0.1321","","","","","","1.03","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704660","9.9161","0.0003","10.3439","0.0003","20.8211","0.0009","77.111","0.003","85.335","0.003","72.843","0.003","1988.92","0.13","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H65 N4 P Si3 -","- C37 H65 N4 P Si3 -","- C74 H130 N8 P2 Si6 -","2","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","1.54184","CuKα","","0.0368","0.0329","","","0.0884","0.0914","","","","","","1.035","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704661","19.7161","0.0005","10.7126","0.0002","22.358","0.0005","90","","98.43","0.002","90","","4671.23","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H74 N4 Si5 -","- C40 H74 N4 Si5 -","- C160 H296 N16 Si20 -","4","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","1.54184","CuKα","","0.0454","0.0351","","","0.0887","0.0966","","","","","","1.057","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704662","11.3988","0.0006","13.9723","0.0007","15.4694","0.0008","96.431","0.002","102.599","0.002","106.044","0.002","2271.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H48 Cl6 Dy2 N6 O45 -","- C12 H48 Cl6 Dy2 N6 O45 -","- C24 H96 Cl12 Dy4 N12 O90 -","2","1","","Orts-Arroyo, Marta; Castro, Isabel; Lloret, Francesc; Martínez-Lillo, José","Field-induced slow relaxation of magnetisation in two one-dimensional homometallic dysprosium(iii) complexes based on alpha- and beta-amino acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9155","9163","10.1039/d0dt01126f","","","0.71073","MoKα","","0.0344","0.0213","","","0.0439","0.0509","","","","","","1.083","","","","has coordinates","254987","2020-10-21","18:00:00",""
"7704663","9.1227","0.0008","12.7414","0.0012","21.5663","0.0017","76.278","0.003","81.27","0.003","82.225","0.003","2394.1","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H52 Cl6 Dy2 N6 O41 -","- C18 H52 Cl6 Dy2 N6 O41 -","- C36 H104 Cl12 Dy4 N12 O82 -","2","1","","Orts-Arroyo, Marta; Castro, Isabel; Lloret, Francesc; Martínez-Lillo, José","Field-induced slow relaxation of magnetisation in two one-dimensional homometallic dysprosium(iii) complexes based on alpha- and beta-amino acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9155","9163","10.1039/d0dt01126f","","","0.71073","MoKα","","0.032","0.023","","","0.0507","0.0554","","","","","","0.982","","","","has coordinates","254987","2020-10-21","18:00:00",""
"7704664","21.6397","0.0005","10.48","0.0002","26.8204","0.0006","90","","104.348","0.002","90","","5892.7","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H48 Cu2 N18 O9 Pd2 -","- C40 H48 Cu2 N18 O9 Pd2 -","- C160 H192 Cu8 N72 O36 Pd8 -","4","0.5","","Mishra, Soumya; Paital, Biswaranjan; Sahoo, Himansu Sekhar; Pati, Samar Gaurav; Tripathy, Debakanta; Debata, Niladri Bihari","A discrete Cu<sub>2</sub>(Pd-bpy)<sub>2</sub>L<sub>2</sub> heterometallic compound with superoxide dismutase enzyme like activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8850","8854","10.1039/d0dt00920b","","","1.54184","CuKα","","0.071","0.0592","","","0.1747","0.1848","","","","","","1.062","","","","has coordinates","254995","2020-10-21","18:00:00",""
"7704665","25.4632","0.0006","10.9818","0.0003","15.7522","0.0004","90","","127.936","0.0008","90","","3474.09","0.16","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H20.5 B1.5 F6 N8 O0.5 Zn -","- C10 H20.5 B1.5 F6 N8 O0.5 Zn -","- C80 H164 B12 F48 N64 O4 Zn8 -","8","1","","Yu, Yuan-Hsiang; Wang, Wun-Shiuan; Hu, Yu-Chung; Lin, Xiao-Yuan; Tsai, Chih-Hung; Shih, Chun-Jyun; Huang, Wei-Chih; Peng, Shie-Ming; Lee, Gene-Hsiang","A frontier Zn- and N-rich complex grafted onto reduced graphene oxide for the electrocatalysis of dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9035","9047","10.1039/d0dt01191f","","","0.71073","MoKα","","0.0295","0.0233","","","0.0557","0.0606","","","","","","1.076","","","","has coordinates,has disorder","254990","2020-10-21","18:00:00",""
"7704666","21.757","0.003","21.757","0.003","62.923","0.013","90","","90","","90","","29786","8","80","2","80","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C272 H227 B3 Cl2 F12 N25 O8 Pd4 -","- C272 H227 B3 Cl2 F12 N25 O8 Pd4 -","- C1088 H908 B12 Cl8 F48 N100 O32 Pd16 -","4","0.25","","Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H.","Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9404","9410","10.1039/d0dt01674h","","","0.5636","synchrotron","","0.1824","0.1608","","","0.557","0.5754","","","","","","2.566","","","","has coordinates,has disorder","254979","2020-10-21","18:00:00",""
"7704667","21.837","0.002","21.837","0.002","62.93","0.006","90","","90","","90","","30008","5","100","2","100","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C270 H224 B3 Cl2.5 F12 N24 O10 Pd4 -","- C270 H224 B3 Cl2.5 F12 N24 O10 Pd4 -","- C1080 H896 B12 Cl10 F48 N96 O40 Pd16 -","4","0.25","","Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H.","Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9404","9410","10.1039/d0dt01674h","","","1.54178","CuKα","","0.2156","0.1677","","","0.5024","0.5366","","","","","","2.135","","","","has coordinates,has disorder","254979","2020-10-21","18:00:00",""
"7704668","7.5171","0.0005","9.6401","0.0006","13.3389","0.0008","101.493","0.002","98.976","0.002","99.952","0.002","914.63","0.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 Cl4 Cu2 N6 O10 S2 -","- C26 H38 Cl4 Cu2 N6 O10 S2 -","- C26 H38 Cl4 Cu2 N6 O10 S2 -","1","0.5","","Balakrishnan, Nithya; Haribabu, Jebiti; Dhanabalan, Ananda Krishnan; Swaminathan, Srividya; Sun, Sijia; Dibwe, Dya Fita; Bhuvanesh, Nattamai; Awale, Suresh; Karvembu, Ramasamy","Thiosemicarbazone(s)-anchored water soluble mono- and bimetallic Cu(ii) complexes: enzyme-like activities, biomolecular interactions, anticancer property and real-time live cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9411","9424","10.1039/d0dt01309a","","","0.71073","MoKα","","0.055","0.0397","","","0.0682","0.0725","","","","","","1.107","","","","has coordinates","254980","2020-10-21","18:00:00",""
"7704669","9.3084","0.0005","11.155","0.0006","13.8573","0.0008","90","","109.42","0.002","90","","1357.01","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H9.68 Cl2 Cu N3 O2.34 S -","- C11 H9.68 Cl2 Cu N3 O2.34 S -","- C44 H38.72 Cl8 Cu4 N12 O9.36 S4 -","4","1","","Balakrishnan, Nithya; Haribabu, Jebiti; Dhanabalan, Ananda Krishnan; Swaminathan, Srividya; Sun, Sijia; Dibwe, Dya Fita; Bhuvanesh, Nattamai; Awale, Suresh; Karvembu, Ramasamy","Thiosemicarbazone(s)-anchored water soluble mono- and bimetallic Cu(ii) complexes: enzyme-like activities, biomolecular interactions, anticancer property and real-time live cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9411","9424","10.1039/d0dt01309a","","","0.71073","MoKα","","0.055","0.0382","","","0.0732","0.0792","","","","","","1.099","","","","has coordinates,has disorder","254980","2020-10-21","18:00:00",""
"7704670","10.3537","0.0003","13.2809","0.0007","13.4937","0.0008","104.271","0.005","97.866","0.004","96.771","0.003","1758.93","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H88 K2 O27 W2 -","- C50 H80 K2.001 O26 W2 -","- C50 H80 K2.001 O26 W2 -","1","0.5","","Ostrowski, Joseph P. A.; Atkinson, Benjamin E.; Doyle, Laurence R.; Wooles, Ashley J.; Kaltsoyannis, Nikolas; Liddle, Stephen T.","The ditungsten decacarbonyl dianion.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9330","9335","10.1039/d0dt01921f","","x-ray","0.71073","MoKα","","0.0737","0.0645","","","0.1645","0.1715","","","","","","1.122","","","","has coordinates,has disorder","254976","2020-10-21","18:00:00",""
"7704671","17.9901","0.0018","19.0049","0.0019","28.923","0.003","89.17","0.005","72.435","0.005","62.773","0.005","8293.6","1.5","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C165 H167 B4 Cl9 Co4 N40 O2 -","- C165 H167 B4 Cl9 Co4 N40 O2 -","- C330 H334 B8 Cl18 Co8 N80 O4 -","2","1","","Guo, Zhilin; Deng, Yi-Fei; Zhang, Yipei; Pikramenou, Zoe; Zhang, Yuan-Zhu","Two azido-bridged [2×2] cobalt(ii) grids featuring single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9218","9222","10.1039/d0dt01461c","","","0.71073","MoKα","","0.0664","0.0506","","","0.1218","0.1315","","","","","","1.074","","","","has coordinates,has disorder","254971","2020-10-21","18:00:00",""
"7704672","17.3694","0.0014","17.3694","0.0014","43.223","0.006","90","","90","","90","","13040","2","150","2","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C156 H126 B4 Co4 N30 -","- C156 H126 B4 Co4 N30 -","- C624 H504 B16 Co16 N120 -","4","0.25","","Guo, Zhilin; Deng, Yi-Fei; Zhang, Yipei; Pikramenou, Zoe; Zhang, Yuan-Zhu","Two azido-bridged [2×2] cobalt(ii) grids featuring single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9218","9222","10.1039/d0dt01461c","","","0.71073","MoKα","","0.0616","0.0356","","","0.069","0.0761","","","","","","1.032","","","","has coordinates,has disorder","254971","2020-10-21","18:00:00",""
"7704673","16.3634","0.0013","22.2895","0.0017","38.292","0.003","103.235","0.003","91.953","0.003","109.093","0.003","12757","1.8","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C188 H183 F24 N8 O40 Rh8 S8 -","- C188 H183 F24 N8 O40 Rh8 S8 -","- C376 H366 F48 N16 O80 Rh16 S16 -","2","1","","Yu, Wei-Bin; Qiu, Feng-Yi; Sun, Po; Shi, Hua-Tian; Xin, Zhi-Feng","A new supramolecular catalytic system: the self-assembly of Rh8 cage host anthracene molecules for [4 + 4] cycloaddition induced by UV irradiation.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9688","9693","10.1039/d0dt01978j","","","1.34138","GaKα","","0.0805","0.0732","","","0.2176","0.2261","","","","","","1.09","","","","has coordinates","254958","2020-10-21","18:00:00",""
"7704674","6.4434","0.0006","17.1407","0.0015","17.5328","0.0016","90","","91.331","0.001","90","","1935.9","0.3","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Fe Mo O6 P S2 -","- C15 H13 Fe Mo O6 P S2 -","- C60 H52 Fe4 Mo4 O24 P4 S8 -","4","1","","Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro","Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9048","9056","10.1039/d0dt01428a","","","0.71073","MoKα","","0.0333","0.0325","","","0.0933","0.0941","","","","","","1.057","","","","has coordinates","254988","2020-10-21","18:00:00",""
"7704675","9.5169","0.0014","13.927","0.0019","10.861","0.0016","90","","110.696","0.003","90","","1346.6","0.3","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Fe2 Mo0 O4 P2 S4 -","- C22 H26 Fe2 O4 P2 S4 -","- C44 H52 Fe4 O8 P4 S8 -","2","0.5","","Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro","Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9048","9056","10.1039/d0dt01428a","","","0.71073","MoKα","","0.1273","0.0737","","","0.1434","0.1616","","","","","","1.075","","","","has coordinates","254988","2020-10-21","18:00:00",""
"7704676","13.9751","0.0011","12.735","0.001","25.293","0.002","90","","90","","90","","4501.5","0.6","103","","103","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Fe Mo O5 P2 S2 -","- C17 H22 Fe Mo O5 P2 S2 -","- C136 H176 Fe8 Mo8 O40 P16 S16 -","8","1","","Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro","Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9048","9056","10.1039/d0dt01428a","","","0.71073","MoKα","","0.043","0.0325","","","0.0705","0.0742","","","","","","1.07","","","","has coordinates","254988","2020-10-21","18:00:00",""
"7704677","13.7106","0.0005","9.7609","0.0006","35.2338","0.0014","90","","96.509","0.004","90","","4684.9","0.4","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H56 Co3 N4 O22 -","- C44 H56 Co3 N4 O22 -","- C176 H224 Co12 N16 O88 -","4","0.5","","Paul, Aparup; Viciano-Chumillas, Marta; Puschmann, Horst; Cano, Joan; Manna, Subal Chandra","Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co<sup>II</sup>-Co<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9516","9528","10.1039/d0dt00588f","","x-ray","0.71073","MoKα","","0.077","0.0615","","","0.1084","0.1143","","","","","","1.198","","","","has coordinates","254975","2020-10-21","18:00:00",""
"7704678","15.5739","0.0007","19.9284","0.0009","12.7149","0.0006","90","","112.967","0.0006","90","","3633.4","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ICVU-218","","","- C35 H48 Co2 N3 O10 -","- C35 H48 Co2 N3 O10 -","- C140 H192 Co8 N12 O40 -","4","1","","Paul, Aparup; Viciano-Chumillas, Marta; Puschmann, Horst; Cano, Joan; Manna, Subal Chandra","Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co<sup>II</sup>-Co<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9516","9528","10.1039/d0dt00588f","","","0.71073","MoKα","","0.0572","0.0369","","","0.0904","0.0989","","","","","","1.044","","","","has coordinates,has disorder","254975","2020-10-21","18:00:00",""
"7704679","18.4493","0.0002","21.2072","0.0002","10.7787","0.0003","90","","90","","90","","4217.25","0.13","180","","180","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C48 H52 Fe P4 Si -","- C48 H52 Fe P4 Si -","- C192 H208 Fe4 P16 Si4 -","4","0.5","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Pyridine N-oxide promoted hydrosilylation of carbonyl compounds catalyzed by [PSiP]-pincer iron hydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9349","9354","10.1039/d0dt00392a","","","1.34143","GaKα","","0.0326","0.0282","","","0.0764","0.0789","","","","","","1.049","","","","has coordinates,has disorder","254970","2020-10-21","18:00:00",""
"7704680","9.102","0.002","6.4092","0.0016","25.794","0.007","90","","97.278","0.003","90","","1492.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B7 Ba O15 Rb3 Te -","- B7 Ba O15 Rb3 Te -","- B28 Ba4 O60 Rb12 Te4 -","4","1","","Sun, Jun; Mutailipu, Miriding; Cheng, Shichao; Yang, Zhihua; Pan, Shilie","Rb<sub>3</sub>BaTeB<sub>7</sub>O<sub>15</sub>: a novel [B<sub>7</sub>O<sub>16</sub>] fundamental building block in a new telluroborate with [TeO<sub>3</sub>] polyhedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8911","8917","10.1039/d0dt01102a","","","0.71073","MoKα","","0.0424","0.03","","","0.0598","0.0654","","","","","","1.001","","","","has coordinates","254994","2020-10-21","18:00:00",""
"7704681","9.5856","0.0007","15.5741","0.0011","13.7797","0.001","90","","90","","90","","2057.1","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","0.5","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.055","0.0295","","","0.066","0.0749","","","","","","1.05","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704682","9.5273","0.0009","14.8094","0.0015","13.5467","0.0013","90","","90","","90","","1911.4","0.3","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","0.5","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.041","0.0231","","","0.0507","0.0567","","","","","","1.065","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704683","9.554","0.004","13.698","0.006","15.262","0.007","90","","90.387","0.007","90","","1997.3","1.5","190","2","190","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","1","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.1673","0.0802","","","0.1853","0.2247","","","","","","1.114","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704684","8.9101","0.0005","12.1453","0.0007","23.8104","0.0015","90","","90.565","0.003","90","","2576.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Co N10 -","- C26 H32 Co N10 -","- C104 H128 Co4 N40 -","4","1","","Ghosh, Subrata; Selvamani, Subramani; Mehta, Sakshi; Mondal, Abhishake","Reversible thermo-induced spin crossover in a mononuclear cis-dicyanamido-cobalt(ii) complex containing a macrocyclic tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9208","9212","10.1039/d0dt01888k","","","0.71073","MoKα","","0.0891","0.0457","","","0.0903","0.1061","","","","","","1.02","","","","has coordinates","254972","2020-10-21","18:00:00",""
"7704685","9.0233","0.0006","12.2234","0.0007","24.3561","0.0017","90","","92.471","0.003","90","","2683.9","0.3","280","2","280","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Co N10 -","- C26 H32 Co N10 -","- C104 H128 Co4 N40 -","4","1","","Ghosh, Subrata; Selvamani, Subramani; Mehta, Sakshi; Mondal, Abhishake","Reversible thermo-induced spin crossover in a mononuclear cis-dicyanamido-cobalt(ii) complex containing a macrocyclic tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9208","9212","10.1039/d0dt01888k","","","0.71073","MoKα","","0.1577","0.0536","","","0.092","0.12","","","","","","1.003","","","","has coordinates","254972","2020-10-21","18:00:00",""
"7704686","16.6529","0.0008","10.2535","0.0004","17.6988","0.0008","90","","91.657","0.002","90","","3020.8","0.2","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N4 Os P2 -","- C28 H46 N4 Os P2 -","- C112 H184 N16 Os4 P8 -","4","1","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0573","0.0334","","","0.0554","0.0612","","","","","","1.051","","","","has coordinates","254992","2020-10-21","18:00:00",""
"7704687","12.6673","0.0004","13.6362","0.0004","17.3873","0.0005","90","","90","","90","","3003.38","0.16","102","2","102","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H46 Cl N4 Os P2 -","- C28 H46 Cl N4 Os P2 -","- C112 H184 Cl4 N16 Os4 P8 -","4","0.5","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0369","0.024","","","0.0395","0.0423","","","","","","1.039","","","","has coordinates","254992","2020-10-21","18:00:00",""
"7704688","13.2411","0.0004","15.4304","0.0003","13.5367","0.0003","90","","115.709","0.003","90","","2491.97","0.12","183","0.1","183","0.1","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C46 H64 Bi F6 N4 O Os P2 Sb -","- C46 H64 Bi F6 N4 O Os P2 Sb -","- C92 H128 Bi2 F12 N8 O2 Os2 P4 Sb2 -","2","0.5","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0412","0.0332","","","0.0797","0.0831","","","","","","1.038","","","","has coordinates,has disorder","254992","2020-10-21","18:00:00",""
"7704689","12.6934","0.0005","18.0522","0.0006","22.1871","0.0008","90","","104.476","0.001","90","","4922.6","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 Bi F3 N5 O4 Os P2 S -","- C45 H63 Bi F3 N5 O4 Os P2 S -","- C180 H252 Bi4 F12 N20 O16 Os4 P8 S4 -","4","1","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0286","0.0224","","","0.0518","0.0535","","","","","","1.028","","","","has coordinates,has disorder","254992","2020-10-21","18:00:00",""
"7704690","7.49","0.0015","9.3","0.0019","9.94","0.002","63.28","0.03","82.11","0.03","87.78","0.03","612.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag2 As2 Cs2 S5 -","- Ag2 As2 Cs2 S5 -","- Ag4 As4 Cs4 S10 -","2","1","","Yan, Dongming; Xiao, Yu; Liu, Chang; Hou, Peipei; Chai, Wenxiang; Hosono, Hideo; Lin, Hua; Liu, Yi","Two new members in the quaternary Cs-Ag-As-S family with different arrangements of Ag-S and As-S asymmetric building units: syntheses, structures, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9743","9750","10.1039/d0dt01375g","","","0.71073","MoKα","","0.0346","0.0257","","","0.0407","0.0427","","","","","","1.074","","","","has coordinates","254964","2020-10-21","18:00:00",""
"7704691","27.76","0.006","6.98","0.0014","19.68","0.004","90","","109.85","0.03","90","","3586.7","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag As4 Cs3 S8 -","- Ag As4 Cs3 S8 -","- Ag8 As32 Cs24 S64 -","8","1","","Yan, Dongming; Xiao, Yu; Liu, Chang; Hou, Peipei; Chai, Wenxiang; Hosono, Hideo; Lin, Hua; Liu, Yi","Two new members in the quaternary Cs-Ag-As-S family with different arrangements of Ag-S and As-S asymmetric building units: syntheses, structures, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9743","9750","10.1039/d0dt01375g","","","0.71073","MoKα","","0.1145","0.0858","","","0.2279","0.3058","","","","","","1.108","","","","has coordinates","254964","2020-10-21","18:00:00",""
"7704692","7.9659","0.0012","10.0866","0.0013","8.5204","0.0019","90","","91.881","0.015","90","","684.2","0.2","290","1","290","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N6 -","- C12 H20 N6 -","- C24 H40 N12 -","2","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.0849","0.0765","","","0.259","0.2661","","","","","","1.138","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704693","12.6332","0.0005","12.6307","0.0005","20.0943","0.0008","76.144","0.004","75.831","0.004","83.005","0.003","3011.6","0.2","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C80 H132 Cl4 Fe2 N40 O16 -","2","1","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","1.54184","CuKα","","0.1381","0.1165","","","0.3002","0.3295","","","","","","1.227","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704694","10.5853","0.0003","12.3116","0.0004","12.3848","0.0003","84.833","0.002","74.339","0.002","73.659","0.002","1491.14","0.08","170","1","170","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1123","0.1018","","","0.304","0.3227","","","","","","1.419","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704695","10.4994","0.0002","12.245","0.0004","12.1324","0.0003","84.628","0.002","73.424","0.002","72.557","0.002","1426.18","0.07","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1148","0.1064","","","0.3319","0.3481","","","","","","1.606","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704696","12.5034","0.0004","12.4324","0.0004","19.9466","0.0006","76.225","0.003","75.945","0.003","83.381","0.003","2915.88","0.17","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C80 H132 Cl4 Fe2 N40 O16 -","2","1","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","1.54184","CuKα","","0.136","0.1075","","","0.3032","0.3362","","","","","","1.295","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704697","10.6081","0.0004","12.2651","0.0005","12.2885","0.0005","82.533","0.003","72.69","0.004","72.256","0.004","1452.46","0.11","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1065","0.0865","","","0.2439","0.2655","","","","","","1.217","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704698","10.5814","0.0009","12.2474","0.0011","12.3911","0.001","84.459","0.007","74.221","0.007","73.784","0.008","1483.5","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","1.54184","CuKα","","0.1334","0.109","","","0.2838","0.318","","","","","","1.087","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704699","10.7647","0.0012","12.3715","0.0019","12.6339","0.0012","80.904","0.011","71.656","0.01","72.218","0.012","1517.2","0.3","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1861","0.1359","","","0.3564","0.4091","","","","","","1.301","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704700","6.8628","0.0002","16.1907","0.0004","34.5806","0.0007","90.292","0.002","92.66","0.002","92.168","0.002","3835.39","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 Br Mn N3 O5 -","- C19 H11 Br Mn N3 O5 -","- C152 H88 Br8 Mn8 N24 O40 -","8","4","","Khaled, Rabaa M.; Friedrich, Alexandra; Ragheb, Mohamed A.; Abdel-Ghani, Nour T; Mansour, Ahmed M.","Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9294","9305","10.1039/d0dt01539c","","x-ray","1.54184","CuKα","","0.1198","0.0981","","","0.2706","0.2852","","","","","","1.059","","","","has coordinates","254981","2020-10-21","18:00:00",""
"7704701","8.9142","0.0019","26.172","0.007","6.8978","0.0018","90","","109.071","0.007","90","","1520.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br Cl Mn N2 O3 -","- C15 H9 Br Cl Mn N2 O3 -","- C60 H36 Br4 Cl4 Mn4 N8 O12 -","4","1","","Khaled, Rabaa M.; Friedrich, Alexandra; Ragheb, Mohamed A.; Abdel-Ghani, Nour T; Mansour, Ahmed M.","Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9294","9305","10.1039/d0dt01539c","","","0.71073","MoKα","","0.0407","0.0301","","","0.0534","0.056","","","","","","1.045","","","","has coordinates","254981","2020-10-21","18:00:00",""
"7704702","8.7327","0.0017","26.447","0.01","7.04","0.0014","90","","113.752","0.017","90","","1488.2","0.7","100","2","100","2","","","","","","","Methanol","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br Mn N2 O4 -","- C15 H10 Br Mn N2 O4 -","- C60 H40 Br4 Mn4 N8 O16 -","4","1","","Khaled, Rabaa M.; Friedrich, Alexandra; Ragheb, Mohamed A.; Abdel-Ghani, Nour T; Mansour, Ahmed M.","Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9294","9305","10.1039/d0dt01539c","","","0.71073","MoKα","","0.0298","0.0241","","","0.0512","0.0528","","","","","","1.041","","","","has coordinates","254981","2020-10-21","18:00:00",""
"7704703","7.4133","0.0005","10.1403","0.0008","15.2345","0.0008","90","","90","","90","","1145.22","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Fe O -","- C15 H14 Fe O -","- C60 H56 Fe4 O4 -","4","1","","Mazur, Maria; Mrozowicz, Michał; Buchowicz, Włodzimierz; Koszytkowska-Stawińska, Mariola; Kamiński, Radosław; Ochal, Zbigniew; Wińska, Patrycja; Bretner, Maria","Formylation of a metathesis-derived <i>ansa</i>[4]-ferrocene: a simple route to anticancer organometallics.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11504","11511","10.1039/d0dt01975e","","","1.54184","CuKα","","0.0708","0.057","","","0.1186","0.1282","","","","1.72","1.72","1.63","","","","has coordinates","256072","2020-10-21","18:00:00",""
"7704704","7.6075","0.0004","11.1031","0.0007","13.2087","0.0006","90","","90","","90","","1115.7","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Fe O -","- C15 H14 Fe O -","- C60 H56 Fe4 O4 -","4","1","","Mazur, Maria; Mrozowicz, Michał; Buchowicz, Włodzimierz; Koszytkowska-Stawińska, Mariola; Kamiński, Radosław; Ochal, Zbigniew; Wińska, Patrycja; Bretner, Maria","Formylation of a metathesis-derived <i>ansa</i>[4]-ferrocene: a simple route to anticancer organometallics.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11504","11511","10.1039/d0dt01975e","","","1.54184","CuKα","","0.0472","0.0433","","","0.1041","0.1059","","","","1.7","1.7","1.6","","","","has coordinates","256072","2020-10-21","18:00:00",""
"7704705","13.4849","0.0003","13.4849","0.0003","13.4849","0.0003","90","","90","","90","","2452.13","0.09","295","2","295.15","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- Be33 Pt16 Y4 -","- Be33 Pt16 Y4 -","- Be132 Pt64 Y16 -","4","0.0833333","","Amon, Alfred; Svanidze, Eteri; Prots, Yurii; Nicklas, Michael; Burkhardt, Ulrich; Ormeci, Alim; Leithe-Jasper, Andreas; Grin, Yuri","Y<sub>4</sub>Be<sub>33</sub>Pt<sub>16</sub>- a non-centrosymmetric cage superconductor with multi-centre bonding in the framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9362","9368","10.1039/d0dt01374a","","","0.71073","MoKα","","0.043","0.043","","0.045","","0.045","","","","","","1.013","","","","has coordinates","254973","2020-10-21","18:00:00",""
"7704706","7.3994","0.0015","10.027","0.002","21.82","0.004","90","","91.18","0.03","90","","1618.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Br Ge N3 -","- C13 H24 Br Ge N3 -","- C52 H96 Br4 Ge4 N12 -","4","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.5418","CuKα","","0.0997","0.0977","","","0.2646","0.2661","","","","","","1.062","","","","has coordinates","254978","2020-10-21","18:00:00",""
"7704707","9.1837","0.0003","11.0396","0.0004","14.5439","0.0005","111.357","0.003","92.618","0.003","90.475","0.003","1371.34","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cl Ge N P -","- C31 H33 Cl Ge N P -","- C62 H66 Cl2 Ge2 N2 P2 -","2","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0275","0.025","","","0.0653","0.0672","","","","","","1.036","","","","has coordinates","254978","2020-10-21","18:00:00",""
"7704708","13.8454","0.0003","13.2083","0.0003","21.4808","0.0007","90","","90","","90","","3928.28","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Br Ge N3 -","- C18 H26 Br Ge N3 -","- C144 H208 Br8 Ge8 N24 -","8","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.057","0.0406","","","0.0905","0.0983","","","","","","1.052","","","","has coordinates","254978","2020-10-21","18:00:00",""
"7704709","10.2433","0.0006","14.402","0.0008","16.1962","0.0009","95.69","0.005","107.389","0.005","100.633","0.005","2210.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H24 Al F36 Ge N3 O4 -","- C29 H24 Al F36 Ge N3 O4 -","- C58 H48 Al2 F72 Ge2 N6 O8 -","2","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0878","0.0778","","","0.2158","0.2304","","","","","","0.984","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704710","10.5246","0.0001","18.4838","0.0003","24.2497","0.0003","90","","98.747","0.001","90","","4662.54","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Al F36 Ge N3 O4 -","- C34 H26 Al F36 Ge N3 O4 -","- C136 H104 Al4 F144 Ge4 N12 O16 -","4","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.1096","0.0938","","","0.2517","0.2713","","","","","","1.075","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704711","12.1911","0.0003","15.3762","0.0006","29.9659","0.001","83.214","0.003","88.694","0.002","87.381","0.002","5571.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H33 Al F36 Ge N O4 P -","- C47 H33 Al F36 Ge N O4 P -","- C188 H132 Al4 F144 Ge4 N4 O16 P4 -","4","2","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0798","0.0647","","","0.1707","0.1824","","","","","","1.023","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704712","80.256","0.0012","29.4338","0.0005","10.7141","0.0002","90","","90","","90","","25309.3","0.7","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C49 H37.5 Al F36.5 Ge N4 O4 -","- C49 H37.5 Al F36.5 Ge N4 O4 -","- C784 H600 Al16 F584 Ge16 N64 O64 -","16","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.1172","0.1155","","","0.326","0.3316","","","","","","1.65","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704713","28.6853","0.0007","18.4131","0.0003","29.1049","0.0008","90","","120.236","0.004","90","","13281.4","0.8","150","0.2","150","0.2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H42 Al F36 Ge N2 O4 P -","- C59 H42 Al F36 Ge N2 O4 P -","- C472 H336 Al8 F288 Ge8 N16 O32 P8 -","8","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","x-ray","1.54184","CuKα","","0.0901","0.0669","","","0.1765","0.1958","","","","","","1.026","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704714","11.0633","0.0001","18.7791","0.0002","18.8201","0.0002","61.968","0.001","80.519","0.001","80.424","0.001","3386.38","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Al Br F36 Ge2 N6 O4 -","- C52 H52 Al Br F36 Ge2 N6 O4 -","- C104 H104 Al2 Br2 F72 Ge4 N12 O8 -","2","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0293","0.0265","","","0.0662","0.0681","","","","","","1.029","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704715","16.6528","0.0001","25.4947","0.0002","35.8638","0.0002","90","","97.859","0.001","90","","15083.3","0.17","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C158 H114 Cl8 Co2 F16 N6 -","- C158 H114 Cl8 Co2 F16 N6 -","- C632 H456 Cl32 Co8 F64 N24 -","4","1","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.0747","0.0569","","","0.1476","0.1606","","","","","","1.016","","","","has coordinates,has disorder","254977","2020-10-21","18:00:00",""
"7704716","18.5816","0.0003","27.4361","0.0002","16.5226","0.0003","90","","116.265","0.002","90","","7553.7","0.2","169.99","0.11","169.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H60 Cl Co F10 N3 O2 -","- C81 H60 Cl Co F10 N3 O2 -","- C324 H240 Cl4 Co4 F40 N12 O8 -","4","1","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.1508","0.1101","","","0.2728","0.3026","","","","","","1.049","","","","has coordinates,has disorder","254977","2020-10-21","18:00:00",""
"7704717","10.4294","0.0004","18.2182","0.0007","20.3353","0.0007","65.813","0.004","76.76","0.004","81.879","0.003","3426","0.2","169.99","0.12","169.99","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C84 H75 Cl4 Co F2 N3 O -","- C84 H75 Cl4 Co F2 N3 O -","- C168 H150 Cl8 Co2 F4 N6 O2 -","2","1","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.137","0.1134","","","0.3074","0.3289","","","","","","1.238","","","","has coordinates","254977","2020-10-21","18:00:00",""
"7704718","15.6079","0.0002","28.3387","0.0004","33.8316","0.0005","90","","92.573","0.001","90","","14948.9","0.4","169.99","0.12","169.99","0.12","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C162 H124 Cl4 Co2 F20 N6 O -","- C162 H124 Cl4 Co2 F20 N6 O -","- C648 H496 Cl16 Co8 F80 N24 O4 -","4","1","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.1127","0.0919","","","0.2534","0.268","","","","","","1.031","","","","has coordinates","254977","2020-10-21","18:00:00",""
"7704719","14.653","0.0018","22.4069","0.0019","16.827","0.003","90","","110.409","0.017","90","","5178","1.3","120","0.2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H55 O3 P2 Ru W -","- C59 H55 O3 P2 Ru W -","- C236 H220 O12 P8 Ru4 W4 -","4","1","","Safari, Parvin; Moggach, Stephen A.; Low, Paul J.","Mix and (Mis)match: further studies of the electronic structure and mixed-valence characteristics of 1,4-diethynylbenzene-bridged bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9835","9848","10.1039/d0dt01794a","","x-ray","1.54178","CuKα","","0.1635","0.1053","","","0.26","0.2978","","","","","","1.031","","","","has coordinates,has disorder","254967","2020-10-21","18:00:00",""
"7704720","18.4195","0.0013","20.9254","0.0015","27.3606","0.0019","90","","93.863","0.001","90","","10521.8","1.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H270 Au53.95 Cl12 P18 -","- C108 H270 Au53.9496 Cl12 P18 -","- C216 H540 Au107.899 Cl24 P36 -","2","0.5","","Kenzler, Sebastian; Schrenk, Claudio; Schnepf, Andreas","Au<sub>54</sub>(Et<sub>3</sub>P)<sub>18</sub>Cl<sub>12</sub>: a structurally related cluster to Au<sub>32</sub>(Et<sub>3</sub>P)<sub>12</sub>Cl<sub>8</sub> gives insight into the formation process.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10765","10771","10.1039/d0dt02262d","","x-ray","0.71073","MoKα","","0.0454","0.0307","","","0.0663","0.073","","","","","","1.038","","","","has coordinates,has disorder","256093","2020-10-21","18:00:00",""
"7704721","9.8331","0.0009","10.4055","0.001","11.3375","0.001","102.953","0.005","104.742","0.005","113.592","0.004","956","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 B Cl N2 -","- C23 H18 B Cl N2 -","- C46 H36 B2 Cl2 N4 -","2","1","","Rodrigues, Ana I.; Krishnamoorthy, Paramasivam; Gomes, Clara S. B.; Carmona, Nicolas; Di Paolo, Roberto E.; Pander, Piotr; Pina, João; Sérgio Seixas de Melo, J; Dias, Fernando B.; Calhorda, Maria José; Maçanita, António L; Morgado, Jorge; Gomes, Pedro T.","Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10185","10202","10.1039/d0dt01845g","","x-ray","0.71073","MoKα","","0.0653","0.0386","","","0.0813","0.0876","","","","","","0.984","","","","has coordinates","254942","2020-10-21","18:00:00",""
"7704722","13.7466","0.0007","15.6514","0.0008","18.1015","0.0009","97.133","0.003","96.005","0.003","91.09","0.003","3841.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 B Br N2 -","- C23 H18 B Br N2 -","- C184 H144 B8 Br8 N16 -","8","4","","Rodrigues, Ana I.; Krishnamoorthy, Paramasivam; Gomes, Clara S. B.; Carmona, Nicolas; Di Paolo, Roberto E.; Pander, Piotr; Pina, João; Sérgio Seixas de Melo, J; Dias, Fernando B.; Calhorda, Maria José; Maçanita, António L; Morgado, Jorge; Gomes, Pedro T.","Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10185","10202","10.1039/d0dt01845g","","x-ray","0.71073","MoKα","","0.101","0.0482","","","0.1022","0.1145","","","","","","0.944","","","","has coordinates","254942","2020-10-21","18:00:00",""
"7704723","9.881","0.002","10.408","0.002","11.328","0.003","75.691","0.011","76.723","0.011","82.882","0.011","1095.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 B Br N2 -","- C23 H18 B Br N2 -","- C46 H36 B2 Br2 N4 -","2","1","","Rodrigues, Ana I.; Krishnamoorthy, Paramasivam; Gomes, Clara S. B.; Carmona, Nicolas; Di Paolo, Roberto E.; Pander, Piotr; Pina, João; Sérgio Seixas de Melo, J; Dias, Fernando B.; Calhorda, Maria José; Maçanita, António L; Morgado, Jorge; Gomes, Pedro T.","Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10185","10202","10.1039/d0dt01845g","","x-ray","0.71073","MoKα","","0.1089","0.0583","","","0.1412","0.1545","","","","","","0.931","","","","has coordinates","254942","2020-10-21","18:00:00",""
"7704724","20.6162","0.0003","10.9186","0.0004","34.606","0.001","90","","93.872","0.002","90","","7772","0.4","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H39 Cl2 Co N8 O10 -","- C35 H36 Cl2 Co N8 O10 -","- C280 H288 Cl16 Co8 N64 O80 -","8","1","","Badetti, Elena; Lloveras, Vega; Scaramuzzo, Francesca Anna; Wurst, Klaus; Veciana, Jaume; Vidal-Gancedo, José; Licini, Giulia; Zonta, Cristiano","Tris-pyridylmethylamine (TPMA) complexes functionalized with persistent nitronyl nitroxide organic radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10011","10016","10.1039/d0dt01553a","","","0.71073","MoKα","","0.105","0.0532","","","0.1233","0.1418","","","","","","1.033","","","","has coordinates,has disorder","254947","2020-10-21","18:00:00",""
"7704725","11.3545","0.0005","13.8512","0.0006","14.6307","0.0007","80.651","0.002","72.087","0.003","86.64","0.003","2160.3","0.17","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cl3 Cu N8 O13 -","- C35 H38.05 Cl3 Cu N8 O13 -","- C70 H76.1 Cl6 Cu2 N16 O26 -","2","1","","Badetti, Elena; Lloveras, Vega; Scaramuzzo, Francesca Anna; Wurst, Klaus; Veciana, Jaume; Vidal-Gancedo, José; Licini, Giulia; Zonta, Cristiano","Tris-pyridylmethylamine (TPMA) complexes functionalized with persistent nitronyl nitroxide organic radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10011","10016","10.1039/d0dt01553a","","","0.71073","MoKα","","0.1038","0.0767","","","0.189","0.2083","","","","","","1.048","","","","has coordinates,has disorder","254947","2020-10-21","18:00:00",""
"7704726","12.317","0.005","14.999","0.007","17.394","0.008","79.894","0.009","84.538","0.009","71.908","0.009","3004","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Cu6 N16 O40 -","- C96 H84 Cu6 N16 O40 -","- C96 H84 Cu6 N16 O40 -","1","0.5","","Nath, Hiren; Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Verma, Akalesh K.; Barceló-Oliver, Miquel; Devi, Mary; Bhattacharyya, Manjit K.","Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9863","9881","10.1039/d0dt01007c","","","0.71073","MoKα","","0.1553","0.0866","","","0.234","0.2998","","","","","","1.023","","","","has coordinates","254961","2020-10-21","18:00:00",""
"7704727","8.0383","0.0007","15.1299","0.0014","12.5637","0.0011","90","","129.548","0.006","90","","1178.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Co O9 -","- C6 H18 Co O9 -","- C24 H72 Co4 O36 -","4","1","","Nath, Hiren; Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Verma, Akalesh K.; Barceló-Oliver, Miquel; Devi, Mary; Bhattacharyya, Manjit K.","Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9863","9881","10.1039/d0dt01007c","","","0.71073","MoKα","","0.1674","0.1461","","","0.447","0.4594","","","","","","1.823","","","","has coordinates","254961","2020-10-21","18:00:00",""
"7704728","6.3218","0.0007","24.686","0.003","9.3234","0.0011","90","","100.936","0.002","90","","1428.6","0.3","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Co N4 O5 -","- C28 H28 Co N4 O5 -","- C56 H56 Co2 N8 O10 -","2","1","","Xu, Xuebin; Liu, Meiying; Liu, Zhiliang","Crystal structures and the ferroelectric properties of homochiral metal-organic frameworks constructed from a single chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10402","10406","10.1039/d0dt01323d","","x-ray","0.71073","MoKα","","0.0355","0.0337","","","0.0909","0.092","","","","","","1.068","","","","has coordinates,has disorder","257522","2020-10-21","18:00:00",""
"7704729","6.2526","0.0004","9.2824","0.0006","13.0984","0.0008","82.245","0.001","80.476","0.001","81.335","0.001","736.45","0.08","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 Co N4 O8 -","- C28 H30 Co N4 O6 -","- C28 H30 Co N4 O6 -","1","1","","Xu, Xuebin; Liu, Meiying; Liu, Zhiliang","Crystal structures and the ferroelectric properties of homochiral metal-organic frameworks constructed from a single chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10402","10406","10.1039/d0dt01323d","","","0.71073","MoKα","","0.0232","0.0225","","","0.0523","0.0526","","","","","","0.9666","","","","has coordinates","257522","2020-10-21","18:00:00",""
"7704730","18.1602","0.0006","18.1602","0.0006","10.5963","0.0011","90","","90","","90","","3494.6","0.4","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- B20 Cu4 H8 O54 Rb4 -","- B20 Cu4 H8 O54 Rb4 -","- B40 Cu8 H16 O108 Rb8 -","2","0.25","","Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu","Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10156","10161","10.1039/d0dt01994a","","","0.71073","MoKα","","0.0842","0.0739","","","0.2063","0.2213","","","","","","1.051","","","","has coordinates,has disorder","254951","2020-10-21","18:00:00",""
"7704731","18.1973","0.0011","18.1973","0.0011","10.6676","0.0008","90","","90","","90","","3532.5","0.4","299","2","299.15","","","","","","","","","6","I -4","I -4","82","","","","- B5 Cu H12.5 K0.54 Na0.47 O15.5 -","- B5 Cu H8 K0.54 Na0.46 O13.25 -","- B40 Cu8 H64 K4.32 Na3.68 O106 -","8","1","","Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu","Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10156","10161","10.1039/d0dt01994a","","","0.71073","MoKα","","0.0602","0.054","","","0.1496","0.1559","","","","","","1.034","","","","has coordinates,has disorder","254951","2020-10-21","18:00:00",""
"7704732","12.2119","0.0018","20.738","0.003","18.601","0.003","90","","102.689","0.004","90","","4595.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H6 Cu F17 N2 -","- C23 H6 Cu F17 N2 -","- C184 H48 Cu8 F136 N16 -","8","2","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","1.54178","CuKα","","0.031","0.03","","","0.0826","0.0834","","","","","","1.057","","","","has coordinates","254965","2020-10-21","18:00:00",""
"7704733","6.5791","0.0005","11.1704","0.0009","14.9997","0.0012","99.422","0.004","97.124","0.004","100.173","0.004","1057.02","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H6 Al F17 N2 -","- C19 H6 Al F17 N2 -","- C38 H12 Al2 F34 N4 -","2","1","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","1.54178","CuKα","","0.0494","0.0461","","","0.1244","0.1278","","","","","","1.106","","","","has coordinates","254965","2020-10-21","18:00:00",""
"7704734","17.9728","0.0015","11.5328","0.0009","20.5039","0.0017","90","","90","","90","","4250","0.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C41 H8 F34 N4 Zn -","- C41 H8 F34 N4 Zn -","- C164 H32 F136 N16 Zn4 -","4","0.5","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","0.71073","MoKα","","0.0915","0.0397","","","0.0737","0.0914","","","","","","1.028","","","","has coordinates,has disorder","254965","2020-10-21","18:00:00",""
"7704735","5.3911","0.0011","9.903","0.002","20.857","0.004","95.811","0.003","95.576","0.003","105.631","0.003","1057.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H5 F17 N2 Zn -","- C19 H5 F17 N2 Zn -","- C38 H10 F34 N4 Zn2 -","2","1","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","0.71073","MoKα","","0.0568","0.0364","","","0.0706","0.0759","","","","","","1.031","","","","has coordinates","254965","2020-10-21","18:00:00",""
"7704736","5.2839","0.0008","9.5521","0.0014","20.684","0.003","82.526","0.007","83.221","0.007","76.884","0.007","1003.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 Cu F17 N2 O -","- C18 Cu F17 N2 O -","- C36 Cu2 F34 N4 O2 -","2","1","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","0.71073","MoKα","","0.0409","0.0329","","","0.0858","0.0899","","","","","","1.086","","","","has coordinates,has disorder","254965","2020-10-21","18:00:00",""
"7704737","14.741","0.0006","20.2602","0.0005","18.8558","0.0007","90","","111.4","0.004","90","","5243.1","0.3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H44 F2 N6 O6 Sn -","- C46 H44 F2 N6 O6 Sn -","- C184 H176 F8 N24 O24 Sn4 -","4","0.5","","Chrysouli, M. P.; Banti, C. N.; Kourkoumelis, N.; Moushi, E. E.; Tasiopoulos, A. J.; Douvalis, A.; Papachristodoulou, C.; Hatzidimitriou, A. G.; Bakas, T.; Hadjikakou, S. K.","Ciprofloxacin conjugated to diphenyltin(IV): a novel formulation with enhanced antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11522","11535","10.1039/d0dt01665a","","","1.54184","CuKα","","0.0654","0.0523","","","0.1361","0.1428","","","","","","0.992","","","","has coordinates","256074","2020-10-21","18:00:00",""
"7704738","7.8945","0.0007","8.501","0.0007","10.7522","0.0009","87.44","0.007","84.496","0.007","88.912","0.007","717.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 F N3 O3 -","- C17 H18 F N3 O3 -","- C34 H36 F2 N6 O6 -","2","1","","Chrysouli, M. P.; Banti, C. N.; Kourkoumelis, N.; Moushi, E. E.; Tasiopoulos, A. J.; Douvalis, A.; Papachristodoulou, C.; Hatzidimitriou, A. G.; Bakas, T.; Hadjikakou, S. K.","Ciprofloxacin conjugated to diphenyltin(IV): a novel formulation with enhanced antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11522","11535","10.1039/d0dt01665a","","","1.54184","CuKα","","0.0683","0.0511","","","0.1345","0.144","","","","","","1.074","","","","has coordinates","256074","2020-10-21","18:00:00",""
"7704739","15.1548","0.0012","19.2532","0.0017","19.4848","0.0013","72.372","0.007","85.842","0.006","89.624","0.007","5403.3","0.8","239","2","239","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H126 Er N11 O15 Zn3 -","- C100 H126 Er N11 O15 Zn3 -","- C200 H252 Er2 N22 O30 Zn6 -","2","1","","Yang, Huan; Gao, Guoshu; Chen, Wanmin; Wang, Li; Liu, Weisheng","Self-assembly of tetranuclear 3d-4f helicates as highly efficient catalysts for CO<sub>2</sub> cycloaddition reactions under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10270","10277","10.1039/d0dt01743d","","x-ray","0.71073","MoKα","","0.1128","0.0643","","","0.1325","0.1647","","","","","","1.025","","","","has coordinates,has disorder","254950","2020-10-21","18:00:00",""
"7704740","15.201","0.0006","19.7221","0.0004","19.7307","0.0005","70.729","0.002","87.962","0.003","85.124","0.002","5563.4","0.3","292","2","291.73","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C101 H130 Dy N11 O17 Zn3 -","- C102 H129 Dy N12 O15 Zn3 -","- C204 H258 Dy2 N24 O30 Zn6 -","2","1","","Yang, Huan; Gao, Guoshu; Chen, Wanmin; Wang, Li; Liu, Weisheng","Self-assembly of tetranuclear 3d-4f helicates as highly efficient catalysts for CO<sub>2</sub> cycloaddition reactions under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10270","10277","10.1039/d0dt01743d","","x-ray","0.71073","MoKα","","0.1031","0.0657","","","0.1377","0.1633","","","","","","1.05","","","","has coordinates,has disorder","254950","2020-10-21","18:00:00",""
"7704741","15.2301","0.0004","19.7361","0.0005","19.7667","0.0006","70.414","0.002","87.94","0.002","85.25","0.002","5578.3","0.3","295.42","0.1","295.42","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C100 H126 Gd N11 O15 Zn3 -","- C100 H126 Gd N11 O15 Zn3 -","- C200 H252 Gd2 N22 O30 Zn6 -","2","1","","Yang, Huan; Gao, Guoshu; Chen, Wanmin; Wang, Li; Liu, Weisheng","Self-assembly of tetranuclear 3d-4f helicates as highly efficient catalysts for CO<sub>2</sub> cycloaddition reactions under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10270","10277","10.1039/d0dt01743d","","x-ray","0.71","MoKα","","0.0852","0.0545","","","0.1174","0.1387","","","","","","1.046","","","","has coordinates,has disorder","254950","2020-10-21","18:00:00",""
"7704742","18.8631","0.0008","26.4584","0.0012","21.3233","0.0008","90","","91.045","0.003","90","","10640.4","0.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C103 H96 Cl3 N12 O2 Pt4 S4 -","- C103 H96 Cl3 N12 O2 Pt4 S4 -","- C412 H384 Cl12 N48 O8 Pt16 S16 -","4","1","","Oliveira, Carolina G.; Romero-Canelón, Isolda; Coverdale, James P. C.; Maia, Pedro Ivo S.; Clarkson, Guy J.; Deflon, Victor M.; Sadler, Peter J.","Novel tetranuclear Pd<sup>II</sup> and Pt<sup>II</sup> anticancer complexes derived from pyrene thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9595","9604","10.1039/d0dt01133a","","","0.71073","MoKα","","0.1518","0.0659","","","0.1462","0.1772","","","","","","1.027","","","","has coordinates,has disorder","254963","2020-10-21","18:00:00",""
"7704743","11.4565","0.0013","13.0847","0.0015","21.324","0.003","90","","91.55","0.004","90","","3195.4","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 La N6 O8 -","- C34 H25 La N6 O8 -","- C136 H100 La4 N24 O32 -","4","1","","Musib, Dulal; Pal, Mrityunjoy; Raza, Md Kausar; Roy, Mithun","Photo-physical, theoretical and photo-cytotoxic evaluation of a new class of lanthanide(iii)-curcumin/diketone complexes for PDT application.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10786","10798","10.1039/d0dt02082f","","","0.71073","MoKα","","0.0751","0.0543","","","0.1718","0.1944","","","","","","1.4236","","","","has coordinates","256087","2020-10-21","18:00:00",""
"7704744","15.9066","0.0004","22.4041","0.0006","14.3001","0.0003","90","","90.642","0.002","90","","5095.9","0.2","290","","290","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 F6 N6 O2 P Ru -","- C31.2 H21.6 F4.8 N4.8 O1.6 P0.8 Ru0.8 -","- C156 H108 F24 N24 O8 P4 Ru4 -","5","1.25","","Giri, Bishnubasu; Saini, Taruna; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Misra, Ashish; Maji, Somnath","Near-IR light-induced photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes: formation, reactivity, and biological effects.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10772","10785","10.1039/d0dt01788d","","x-ray","0.71073","MoKα","","0.0975","0.0636","","","0.172","0.1953","","","","","","0.984","","","","has coordinates","256085","2020-10-21","18:00:00",""
"7704745","10.6228","0.0004","38.0161","0.0017","15.0865","0.0005","90","","94.999","0.003","90","","6069.3","0.4","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(bis(2,2,2-trifluoroethyl)amino)dihexylaminocyclopropenium chloride semihydrate","","- C46 H70 Cl2 F24 N6 O -","- C46 H70 Cl2 F24 N6 O -","- C184 H280 Cl8 F96 N24 O4 -","4","1","","Curnow, Owen J.; Senthooran, Rathiga","One water to bind a chloride-chloride ion pair: isolation of discrete [Cl<sub>2</sub>(H<sub>2</sub>O)]<sup>2-</sup> in the solid state.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9579","9582","10.1039/d0dt02300k","","x-ray","1.54184","CuKα","","0.1335","0.0699","","","0.1618","0.1879","","","","","","1.002","","","","has coordinates,has disorder","254969","2020-10-21","18:00:00",""
"7704746","9.3905","0.0002","9.3905","0.0002","40.1802","0.0017","90","","90","","120","","3068.46","0.16","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C23 H19 Cl N O P -","- C23 H19 Cl N O P -","- C138 H114 Cl6 N6 O6 P6 -","6","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0362","0.0325","","","0.0761","0.0806","","","","","","1.077","","","","has coordinates","254954","2020-10-21","18:00:00",""
"7704747","32.4502","0.0012","7.223","0.0003","13.5042","0.0005","90","","108.146","0.003","90","","3007.8","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 As N3 O3 -","- C15 H12 As N3 O3 -","- C120 H96 As8 N24 O24 -","8","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0534","0.0468","","","0.0933","0.0954","","","","","","1.256","","","","has coordinates,has disorder","254954","2020-10-21","18:00:00",""
"7704748","8.3588","0.0004","9.2389","0.0004","10.3537","0.0005","85.179","0.004","73.42","0.003","70.026","0.003","720.15","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 As N2 O2 -","- C16 H13 As N2 O2 -","- C32 H26 As2 N4 O4 -","2","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0277","0.0257","","","0.0662","0.0673","","","","","","1.111","","","","has coordinates","254954","2020-10-21","18:00:00",""
"7704749","11.7469","0.0005","12.8872","0.0006","16.5916","0.0007","107.717","0.003","105.382","0.003","115.059","0.003","1928.07","0.19","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C35.5 H29.5 As Cl6.5 N2 O2 P Ru -","- C35.5 H29.5 As Cl6.5 N2 O2 P Ru -","- C71 H59 As2 Cl13 N4 O4 P2 Ru2 -","2","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0533","0.0398","","","0.0903","0.0969","","","","","","1.085","","","","has coordinates,has disorder","254954","2020-10-21","18:00:00",""
"7704750","16.0117","0.0005","17.9816","0.0005","20.4442","0.0006","114.483","0.002","109.348","0.002","96.11","0.002","4846.5","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H40 As Cl7 N2 O2 P2 Ru -","- C48 H40 As Cl7 N2 O2 P2 Ru -","- C192 H160 As4 Cl28 N8 O8 P8 Ru4 -","4","2","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0456","0.0336","","","0.0793","0.0844","","","","","","1.034","","","","has coordinates,has disorder","254954","2020-10-21","18:00:00",""
"7704751","12.3889","0.0006","12.8306","0.0006","15.0564","0.0007","97.133","0.004","102.51","0.004","94.659","0.004","2303.93","0.19","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H39 As Au Cl5 N2 O2 P2 Ru -","- C46 H38 As Au Cl2 N2 O2 P2 Ru -","- C92 H76 As2 Au2 Cl4 N4 O4 P4 Ru2 -","2","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0458","0.0333","","","0.0789","0.0854","","","","","","1.065","","","","has coordinates","254954","2020-10-21","18:00:00",""
"7704752","8.5293","0.0004","9.253","0.0004","10.6835","0.0005","90","","105.676","0.004","90","","811.8","0.07","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Cl5 Cu4 Na O6 Te2 -","- Cl5 Cu4 Na O6 Te2 -","- Cl10 Cu8 Na2 O12 Te4 -","2","0.25","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.081","0.0518","","","0.0657","0.0677","","","","2.69","2.69","2.34","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704753","8.5762","0.0002","9.184","0.0002","10.5385","0.0002","90","","101.241","0.0014","90","","814.13","0.03","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cl6 Cs Cu4 H4 N O6 Te2 -","- Cl6 Cs Cu4 H4 N O6 Te2 -","- Cl12 Cs2 Cu8 H8 N2 O12 Te4 -","2","0.5","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.0779","0.0398","","","0.0528","0.0585","","","","1.56","1.56","1.36","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704754","8.7465","0.0004","9.1357","0.0004","10.0174","0.0005","90","","90.648","0.004","90","","800.39","0.06","293","","293","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Cl6 Cu4 H4 K N O6 Te2 -","- Cl6 Cu4 H4 K N O6 Te2 -","- Cl12 Cu8 H8 K2 N2 O12 Te4 -","2","0.25","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.1115","0.0775","","","0.0865","0.1105","","","","3.38","3.38","3.67","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704755","24.6407","0.0012","9.2132","0.0004","10.6107","0.0005","90","","97.244","0.003","90","","2389.61","0.19","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cl16.5 Cu12 H8.5 N2 O18.5 Rb3 Te6 -","- Cl16.5 Cu12 H8.5 N2 O18.5 Rb3 Te6 -","- Cl33 Cu24 H17 N4 O37 Rb6 Te12 -","2","0.5","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.0991","0.0452","","","0.0544","0.0666","","","","1.27","1.27","1.14","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704756","7.7175","0.0004","19.8009","0.0007","10.2623","0.0005","90","","107.634","0.005","90","","1494.53","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Fe K3 O15 -","- C6 H6 Fe K3 O15 -","- C24 H24 Fe4 K12 O60 -","4","1","","Razmara, Zohreh; Janczak, Jan","Synthesis and crystal structure of a new heteronuclear complex of Fe(iii)-K designed to produce effective catalysts for CO hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10498","10508","10.1039/d0dt01230k","","","0.71073","MoKα","","0.0628","0.0395","","","0.0767","0.0864","","","","","","1.013","","","","has coordinates,has disorder","257531","2020-10-21","18:00:00",""
"7704757","16.3033","0.0002","18.5678","0.0002","19.4935","0.0002","90","","104.107","0.001","90","","5723.04","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H102 Fe2 Li O6 P4 -","- C44 H102 Fe2 Li O6 P4 -","- C176 H408 Fe8 Li4 O24 P16 -","4","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","1.54184","CuKα","","0.0384","0.0347","","","0.0882","0.0907","","","","","","1.02","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704758","18.1444","0.0011","18.1444","0.0011","26.8759","0.0016","90","","90","","120","","7662.6","0.8","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C41 H96 Fe4 P6 -","- C36 H84 Fe4 P6 -","- C216 H504 Fe24 P36 -","6","0.333333","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.052","0.0355","","","0.0941","0.0998","","","","","","0.996","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704759","17.6278","0.0006","17.5183","0.0007","24.0113","0.0008","90","","94.002","0.003","90","","7396.8","0.5","121","2","121","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H111 Fe Li O6 P6 Si3 -","- C33 H81 Fe P6 Si3 -","- C132 H324 Fe4 P24 Si12 -","4","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.1346","0.0911","","","0.2325","0.2647","","","","","","1.05","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704760","11.8564","0.0003","22.9887","0.0006","25.0177","0.0007","86.698","0.002","89.512","0.002","83.754","0.002","6767.2","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H205 Fe4 Li2 O13 P10 -","- C126 H205 Fe4 Li2 O13 P10 -","- C252 H410 Fe8 Li4 O26 P20 -","2","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.0866","0.0521","","","0.1273","0.1509","","","","","","1.028","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704761","23.6571","0.0002","25.847","0.0004","13.2128","0.0006","90","","90","","90","","8079.2","0.4","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C74 H145 Fe2 Li O7 P5 -","- C66 H125 Fe2 Li0.5 O3 P5 -","- C264 H500 Fe8 Li2 O12 P20 -","4","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.0814","0.058","","","0.1421","0.1547","","","","","","1.053","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704762","11.8683","0.0005","11.8704","0.0005","28.4192","0.0014","90","","90","","90","","4003.7","0.3","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H36 B Mn P4 -","- C12 H36 B Mn P4 -","- C96 H288 B8 Mn8 P32 -","8","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.0596","0.0557","","","0.1282","0.1299","","","","","","1.201","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704763","11.3252","0.0007","14.1954","0.0009","16.8724","0.001","90","","103.169","0.003","90","","2641.2","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 B Mn P4 -","- C20 H48 B Mn P4 -","- C80 H192 B4 Mn4 P16 -","4","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.049","0.0337","","","0.0713","0.0775","","","","","","1.047","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704764","13.8329","0.0009","14.965","0.001","11.0995","0.0007","90","","102.76","0.003","90","","2241","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H82 Mn2 P10 -","- C30 H82 Mn2 P10 -","- C60 H164 Mn4 P20 -","2","0.5","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.0418","0.0278","","","0.0612","0.0672","","","","","","1.034","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704765","15.392","0.002","10.4309","0.0014","28.529","0.004","90","","98.652","0.002","90","","4528.3","1.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H82 Mn2 P10 -","- C30 H80.8428 Mn2 P10 -","- C120 H323.371 Mn8 P40 -","4","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.1648","0.1092","","","0.2817","0.3234","","","","","","1.019","","","","has coordinates,has disorder","254945","2020-10-21","18:00:00",""
"7704766","9.2251","0.001","9.4251","0.001","15.1932","0.0016","91.032","0.003","106.889","0.003","113.056","0.003","1150","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H42 Mn P5 -","- C15 H42 Mn P5 -","- C30 H84 Mn2 P10 -","2","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.1237","0.0674","","","0.1023","0.1159","","","","","","1.034","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704767","20.562","0.004","9.4569","0.0018","28.035","0.005","90","","90.843","0.004","90","","5450.9","1.8","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H49 Mn P6 -","- C18 H48.75 Mn P6 -","- C144 H390 Mn8 P48 -","8","4","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.2458","0.0888","","","0.0771","0.1006","","","","","","0.644","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704768","10.068","0.003","12.286","0.003","13.967","0.003","90.611","0.004","101.87","0.005","104.056","0.005","1636.7","0.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H56 B Mn P4 -","- C30 H56 B Mn P4 -","- C60 H112 B2 Mn2 P8 -","2","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.0798","0.0468","","","0.0885","0.0995","","","","","","1.045","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704769","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Zhang, Mei-Li; Bai, Ye; Yang, Xiao-Gang; Zheng, Yan-Jin; Ren, Yi-Xia; Wang, Ji-Jiang; Han, Min-Le; Li, Fei-Fei; Ma, Lu-Fang","Dense π-stacking of flexible ligands fixed in interpenetrating Zn(ii) MOF exhibiting long-lasting phosphorescence and efficient carrier transport.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9961","9964","10.1039/d0dt01810d","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","254949","2020-10-21","18:00:00",""
"7704770","11.5824","0.0002","11.7282","0.0002","14.5135","0.0003","106.396","0.001","91.055","0.001","95.029","0.001","1882.15","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H68 I14 N8 Na2 O8 W6 -","- C48 H68 I14 N8 Na2 O8 W6 -","- C48 H68 I14 N8 Na2 O8 W6 -","1","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0176","0.015","","","0.0316","0.0323","","","","","","1.045","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704771","14.6277","0.0003","14.6277","0.0003","14.6277","0.0003","90","","90","","90","","3129.88","0.11","298","","298","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ba0.85 I14 W6 -","- Ba1.7 I28 W12 -","- Ba3.4 I56 W24 -","2","0.0833333","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","2.6793","1.3414","","","","","","","has coordinates","254960","2020-10-21","18:00:00",""
"7704772","10.8631","0.0013","13.7767","0.0016","13.8788","0.0015","74.868","0.005","85.696","0.005","79.503","0.005","1970.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H78 I14 N4 O13 Rb2 S W6 -","- C38 H78 I14 N4 O13 Rb2 S W6 -","- C38 H78 I14 N4 O13 Rb2 S W6 -","1","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.014","0.0123","","","0.0245","0.0249","","","","","","1.1","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704773","14.56","0.003","24.342","0.005","30.796","0.006","90","","100.66","0.003","90","","10726","4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C106.08 H159.4 I42 N16 Nd2 O18.18 S9.56 W18 -","- C106.08 H159.396 I42 N16 Nd2 O18.18 S9.56 W18 -","- C212.16 H318.793 I84 N32 Nd4 O36.36 S19.12 W36 -","2","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0899","0.0562","","","0.128","0.1521","","","","","","1.134","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704774","16.2061","0.0006","16.5636","0.0006","17.6306","0.0006","72.864","0.002","66.933","0.002","68.017","0.001","3976.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 I14 K2 N4 O14 W6 -","- C42 H84 I14 K2 N4 O14 W6 -","- C84 H168 I28 K4 N8 O28 W12 -","2","1","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0367","0.0219","","","0.0393","0.043","","","","","","1.01","","","","has coordinates","254960","2020-10-21","18:00:00",""
"7704775","14.8492","0.0004","15.1634","0.0005","22.202","0.0008","72.954","0.003","87.373","0.003","59.816","0.002","4100.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.45 H78.08 Cs2 I14 N4 O13.4 W6 -","- C38.46 H78.09 Cs2 I14 N4 O13.4 W6 -","- C76.92 H156.18 Cs4 I28 N8 O26.8 W12 -","2","1","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0769","0.0477","","","0.1052","0.1204","","","","","","1.047","","","","has coordinates","254960","2020-10-21","18:00:00",""
"7704776","14.576","0.006","24.514","0.011","30.756","0.013","90","","101.658","0.005","90","","10763","8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C108.2 H160.36 I42 Lu2 N16 O16.42 S9.42 W18 -","- C108.2 H160.36 I42 Lu2 N16 O16.42 S9.42 W18 -","- C216.4 H320.72 I84 Lu4 N32 O32.84 S18.84 W36 -","2","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0934","0.0639","","","0.1468","0.1722","","","","","","1.132","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704777","21.85714","0.0002","9.81404","0.00012","30.3186","0.0003","90","","94.3482","0.0009","90","","6484.83","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 F4 O3 P2 Ru S -","- C36 H34 F4 O3 P2 Ru S -","- C288 H272 F32 O24 P16 Ru8 S8 -","8","2","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0585","0.0437","","","0.1064","0.1149","","","","","","1.021","","","","has coordinates,has disorder","254953","2020-10-21","18:00:00",""
"7704778","16.19031","0.00012","19.05235","0.00016","29.7018","0.0003","90","","90","","90","","9161.92","0.14","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H55 F3 O4 P2 Ru S -","- C51 H55 F3 O4 P2 Ru S -","- C408 H440 F24 O32 P16 Ru8 S8 -","8","1","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0436","0.0388","","","0.094","0.0972","","","","","","1.023","","","","has coordinates","254953","2020-10-21","18:00:00",""
"7704779","10.27473","0.00016","15.7066","0.0002","25.7096","0.0004","90","","92.2812","0.0014","90","","4145.75","0.11","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 F3 N O4 P2 Ru S -","- C41 H42 Cl2 F3 N O4 P2 Ru S -","- C164 H168 Cl8 F12 N4 O16 P8 Ru4 S4 -","4","1","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0829","0.0742","","","0.1997","0.2066","","","","","","1.081","","","","has coordinates,has disorder","254953","2020-10-21","18:00:00",""
"7704780","9.87358","0.00018","16.342","0.0003","26.1572","0.0006","75.1534","0.0018","86.1993","0.0016","78.7339","0.0016","4000.47","0.14","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C42 H48 F3 N O4.5 P2 Ru S -","- C42 H48 F3 N O4.5 P2 Ru S -","- C168 H192 F12 N4 O18 P8 Ru4 S4 -","4","2","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0622","0.0447","","","0.1034","0.1125","","","","","","1.016","","","","has coordinates,has disorder","254953","2020-10-21","18:00:00",""
"7704781","8.8551","0.0003","8.8551","0.0003","5.5652","0.0005","90","","90","","90","","436.38","0.04","110","","110","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0362","0.0335","","","0.0671","0.0685","","","","","","1.145","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704782","8.8895","0.0004","8.8895","0.0004","5.5731","0.0006","90","","90","","90","","440.4","0.06","300","","300","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0379","0.0338","","","0.0702","0.0725","","","","","","1.113","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704783","8.8599","0.0004","8.8599","0.0004","5.5653","0.0006","90","","90","","90","","436.86","0.05","130","","130","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0358","0.0318","","","0.0651","0.0671","","","","","","1.168","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704784","8.8761","0.0004","8.8761","0.0004","5.5632","0.0006","90","","90","","90","","438.3","0.05","190","","190","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0313","0.0283","","","0.0589","0.0605","","","","","","1.147","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704785","8.8669","0.0004","8.8669","0.0004","5.565","0.0006","90","","90","","90","","437.53","0.05","160","","160","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0349","0.0316","","","0.0653","0.0672","","","","","","1.159","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704786","8.8776","0.0004","8.8776","0.0004","5.561","0.0006","90","","90","","90","","438.27","0.05","200","","200","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.033","0.0288","","","0.0604","0.0628","","","","","","1.143","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704787","8.8572","0.0003","8.8572","0.0003","5.5653","0.0005","90","","90","","90","","436.6","0.04","120","","120","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0367","0.0335","","","0.068","0.0692","","","","","","1.182","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704788","8.862","0.0004","8.862","0.0004","5.5652","0.0006","90","","90","","90","","437.06","0.05","140","","140","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0353","0.0311","","","0.0635","0.0657","","","","","","1.165","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704789","8.8891","0.0003","8.8891","0.0003","5.5691","0.0005","90","","90","","90","","440.05","0.04","270","2","270","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0358","0.0325","","","0.068","0.0697","","","","","","1.104","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704790","8.8868","0.0003","8.8868","0.0003","5.5606","0.0005","90","","90","","90","","439.15","0.04","220","","220","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0289","0.0269","","","0.0547","0.0558","","","","","","1.11","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704791","8.87","0.0004","8.87","0.0004","5.5649","0.0006","90","","90","","90","","437.83","0.05","170","","170","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0351","0.0316","","","0.0652","0.0673","","","","","","1.168","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704792","8.8884","0.0003","8.8884","0.0003","5.5625","0.0005","90","","90","","90","","439.46","0.04","240","","240","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0302","0.0279","","","0.0576","0.0588","","","","","","1.13","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704793","17.7545","0.0017","9.4067","0.0009","19.5299","0.0018","90","","109.827","0.001","90","","3068.4","0.5","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Co N P2 Si -","- C32 H39 Co N P2 Si -","- C128 H156 Co4 N4 P8 Si4 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","","0.71073","MoKα","","0.0516","0.0343","","","0.0717","0.0766","","","","","","1.234","","","","has coordinates","254944","2020-10-21","18:00:00",""
"7704794","28.2054","0.0004","28.2054","0.0004","18.1449","0.0003","90","","90","","90","","14435.1","0.4","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C112 H126 Dy5 N19 O36 -","- C112 H126 Dy5 N19 O36 -","- C448 H504 Dy20 N76 O144 -","4","0.5","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","x-ray","1.54184","CuKα","","0.0888","0.0587","","","0.1466","0.1661","","","","","","0.969","","","","has coordinates,has disorder","254944","2020-10-21","18:00:00",""
"7704795","14.6403","0.0011","26.197","0.002","29.383","0.002","90","","90","","90","","11269.3","1.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H114 La3 N17 O34 -","- C104 H114 La3 N17 O34 -","- C416 H456 La12 N68 O136 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","","0.71073","MoKα","","0.0369","0.0327","","","0.0812","0.0833","","","","","","1.062","","","","has coordinates","254944","2020-10-21","18:00:00",""
"7704796","14.6618","0.0001","26.2233","0.0001","29.3764","0.0001","90","","90","","90","","11294.7","0.1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H116 La3 N17 O34 -","- C104 H116 La3 N17 O34 -","- C416 H464 La12 N68 O136 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","x-ray","1.54184","CuKα","","0.0398","0.0387","","","0.1022","0.1028","","","","","","1.022","","","","has coordinates,has disorder","254944","2020-10-21","18:00:00",""
"7704797","11.3501","0.0002","13.8331","0.0003","15.6821","0.0004","101.89","0.001","99.446","0.001","95.623","0.001","2354.45","0.09","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H48 B Cl2 F4 N4 O P Ru -","- C43 H48 B Cl2 F4 N4 O P Ru -","- C86 H96 B2 Cl4 F8 N8 O2 P2 Ru2 -","2","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Rendón, Nuria; López-Serrano, Joaquín; Santos, Laura L.; Álvarez, Eleuterio; Paneque, Margarita; Suárez, Andrés","Hydrogenation/dehydrogenation of N-heterocycles catalyzed by ruthenium complexes based on multimodal proton-responsive CNN(H) pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9583","9587","10.1039/d0dt02326d","","","0.71073","MoKα","","0.0338","0.0323","","","0.1319","0.1358","","","","","","1.089","","","","has coordinates,has disorder","254966","2020-10-21","18:00:00",""
"7704798","11.4403","0.0002","14.1416","0.0002","15.3495","0.0002","70.02","0.001","80.322","0.001","89.715","0.001","2296.93","0.06","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H52 B F4 N4 O3 P Ru -","- C47 H52 B F4 N4 O3 P Ru -","- C94 H104 B2 F8 N8 O6 P2 Ru2 -","2","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Rendón, Nuria; López-Serrano, Joaquín; Santos, Laura L.; Álvarez, Eleuterio; Paneque, Margarita; Suárez, Andrés","Hydrogenation/dehydrogenation of N-heterocycles catalyzed by ruthenium complexes based on multimodal proton-responsive CNN(H) pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9583","9587","10.1039/d0dt02326d","","","0.71073","MoKα","","0.0377","0.0357","","","0.0943","0.0958","","","","","","1.054","","","","has coordinates,has disorder","254966","2020-10-21","18:00:00",""
"7704799","17.6969","0.0006","15.0291","0.0005","22.5627","0.0007","90","","112.191","0.002","90","","5556.5","0.3","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H65 Cl Dy2 F3 N11 O15 -","- C49 H65 Cl Dy2 F3 N11 O15 -","- C196 H260 Cl4 Dy8 F12 N44 O60 -","4","1","","Jin, Chaoyi; Li, Xiao-Lei; Liu, Zhiliang; Mansikkamäki, Akseli; Tang, Jinkui","An investigation into the magnetic interactions in a series of Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10477","10485","10.1039/d0dt01926g","","x-ray","1.54178","CuKα","","0.0544","0.0442","","","0.1089","0.1176","","","","","","1.029","","","","has coordinates","257533","2020-10-21","18:00:00",""
"7704800","10.7089","0.0004","28.6894","0.0012","15.6149","0.0006","90","","105.994","0.002","90","","4611.7","0.3","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cl2 Dy2 N8 O13 -","- C41 H56 Cl2 Dy2 N8 O13 -","- C164 H224 Cl8 Dy8 N32 O52 -","4","1","","Jin, Chaoyi; Li, Xiao-Lei; Liu, Zhiliang; Mansikkamäki, Akseli; Tang, Jinkui","An investigation into the magnetic interactions in a series of Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10477","10485","10.1039/d0dt01926g","","x-ray","1.54178","CuKα","","0.0454","0.0359","","","0.0895","0.0948","","","","","","1.048","","","","has coordinates","257533","2020-10-21","18:00:00",""
"7704801","14.5797","0.0006","21.9434","0.0009","15.8475","0.0007","90","","116.407","0.002","90","","4541","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Dy2 N9 O12 S -","- C41 H51 Dy2 N9 O12 S -","- C164 H204 Dy8 N36 O48 S4 -","4","1","","Jin, Chaoyi; Li, Xiao-Lei; Liu, Zhiliang; Mansikkamäki, Akseli; Tang, Jinkui","An investigation into the magnetic interactions in a series of Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10477","10485","10.1039/d0dt01926g","","x-ray","1.54178","CuKα","","0.0424","0.0331","","","0.0784","0.0835","","","","","","1.035","","","","has coordinates","257533","2020-10-21","18:00:00",""
"7704802","59.816","0.008","18.706","0.002","30.329","0.004","90","","104.498","0.003","90","","32855","7","100","5","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C322 H412 Mn14 N14 O48 -","- C322 H412 Mn14 N14 O48 -","- C1288 H1648 Mn56 N56 O192 -","4","0.5","","Coletta, Marco; Sanz, Sergio; Brechin, Euan K.; Dalgarno, Scott J.","With complements of the ligands: an unusual S-shaped [Mn<sub>7</sub>]<sub>2</sub> assembly from tethered calixarenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9882","9887","10.1039/d0dt01766c","","","0.71073","MoKα","","0.1661","0.0919","","","0.2566","0.3161","","","","","","1.047","","","","has coordinates,has disorder","254959","2020-10-21","18:00:00",""
"7704803","17.6173","0.0006","12.7245","0.0006","12.3363","0.0004","90","","90","","90","","2765.44","0.18","134","3","134","3","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22.5 H27 Co2 O12 S2.5 -","- C22.5 H27 Co2 O12 S2.5 -","- C90 H108 Co8 O48 S10 -","4","1","","Wang, Lin; Zhang, Jian-Wei; Li, Chenchen; Sun, Jia-Lu; Wang, Guo-Ming; Chen, Yu-Zhen","Novel CoNi-metal-organic framework crystal-derived CoNi@C: synthesis and effective cascade catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10567","10573","10.1039/d0dt01558j","","","1.54184","CuKα","","0.0548","0.044","","","0.1067","0.1196","","","","","","1.069","","","","has coordinates,has disorder","257525","2020-10-21","18:00:00",""
"7704804","27.5755","0.0003","9.9492","0.0001","15.427","0.0001","90","","119.48","0.001","90","","3684.47","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 N7 O9 Zn2 -","- C33 H33 N7 O9 Zn2 -","- C132 H132 N28 O36 Zn8 -","4","0.5","","Arici, Mürsel; Alp Arici, Tuğba; Demiral, Hakan; Taş, Murat; Yeşilel, Okan Zafer","A porous Zn(ii)-coordination polymer based on a tetracarboxylic acid exhibiting selective CO<sub>2</sub> adsorption and iodine uptake.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10824","10831","10.1039/d0dt01875a","","","0.71073","MoKα","","0.0635","0.0423","","","0.1119","0.1192","","","","","","1.093","","","","has coordinates,has disorder","256099","2020-10-21","18:00:00",""
"7704805","27.635","0.003","9.8134","0.001","15.5781","0.0015","90","","119.807","0.004","90","","3665.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 I0.31 N3 O4 Zn -","- C15 H14 I0.308 N3 O4 Zn -","- C120 H112 I2.464 N24 O32 Zn8 -","8","1","","Arici, Mürsel; Alp Arici, Tuğba; Demiral, Hakan; Taş, Murat; Yeşilel, Okan Zafer","A porous Zn(ii)-coordination polymer based on a tetracarboxylic acid exhibiting selective CO<sub>2</sub> adsorption and iodine uptake.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10824","10831","10.1039/d0dt01875a","","","0.71073","MoKα","","0.1141","0.0981","","","0.2334","0.2411","","","","","","1.282","","","","has coordinates,has disorder","256099","2020-10-21","18:00:00",""
"7704806","27.492","0.002","9.798","0.0008","15.5864","0.0011","90","","119.541","0.002","90","","3652.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N6 O9 Zn2 -","- C30 H24 N6 O9 Zn2 -","- C120 H96 N24 O36 Zn8 -","4","0.5","","Arici, Mürsel; Alp Arici, Tuğba; Demiral, Hakan; Taş, Murat; Yeşilel, Okan Zafer","A porous Zn(ii)-coordination polymer based on a tetracarboxylic acid exhibiting selective CO<sub>2</sub> adsorption and iodine uptake.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10824","10831","10.1039/d0dt01875a","","","0.71073","MoKα","","0.0552","0.0489","","","0.1117","0.1148","","","","","","1.171","","","","has coordinates,has disorder","256099","2020-10-21","18:00:00",""
"7704807","20.8459","0.001","9.8908","0.0005","13.3379","0.0007","90","","95.843","0.003","90","","2735.8","0.2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Fe N2 O2 S -","- C13 H16 Fe N2 O2 S -","- C104 H128 Fe8 N16 O16 S8 -","8","1","","Huentupil, Yosselin; Chung, Patricio; Novoa, Néstor; Arancibia, Rodrigo; Roussel, Pascal; Oyarzo, Juan; Klahn, A. Hugo; Silva, Carlos; Calvis, Carme; Messeguer, Ramon; Bosque, Ramón; López, Concepción","Novel multifunctional and multitarget homo- (Fe<sub>2</sub>) and heterobimetallic [(Fe,M) with M = Re or Mn] sulfonyl hydrazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12249","12265","10.1039/d0dt01756f","","x-ray","0.71073","MoKα","","0.0486","0.0406","","","0.1059","0.1117","","","","","","1.08","","","","has coordinates","257550","2020-10-21","18:00:00",""
"7704808","12.6127","0.0008","7.7038","0.0005","22.0053","0.0015","90","","99.323","0.002","90","","2109.9","0.2","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Fe N2 O5 Re S -","- C19 H15 Fe N2 O5 Re S -","- C76 H60 Fe4 N8 O20 Re4 S4 -","4","1","","Huentupil, Yosselin; Chung, Patricio; Novoa, Néstor; Arancibia, Rodrigo; Roussel, Pascal; Oyarzo, Juan; Klahn, A. Hugo; Silva, Carlos; Calvis, Carme; Messeguer, Ramon; Bosque, Ramón; López, Concepción","Novel multifunctional and multitarget homo- (Fe<sub>2</sub>) and heterobimetallic [(Fe,M) with M = Re or Mn] sulfonyl hydrazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12249","12265","10.1039/d0dt01756f","","x-ray","0.71073","MoKα","","0.0301","0.025","","","0.0544","0.0562","","","","","","1.071","","","","has coordinates","257550","2020-10-21","18:00:00",""
"7704809","7.1339","0.0003","15.3593","0.0006","18.4395","0.0007","80.848","0.0019","84.4154","0.0017","81.2946","0.0017","1966.19","0.14","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H15 Fe Mn N2 O5 S -","- C19 H15 Fe Mn N2 O5 S -","- C76 H60 Fe4 Mn4 N8 O20 S4 -","4","2","","Huentupil, Yosselin; Chung, Patricio; Novoa, Néstor; Arancibia, Rodrigo; Roussel, Pascal; Oyarzo, Juan; Klahn, A. Hugo; Silva, Carlos; Calvis, Carme; Messeguer, Ramon; Bosque, Ramón; López, Concepción","Novel multifunctional and multitarget homo- (Fe<sub>2</sub>) and heterobimetallic [(Fe,M) with M = Re or Mn] sulfonyl hydrazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12249","12265","10.1039/d0dt01756f","","x-ray","0.71073","MoKα","","0.0426","0.0327","","","0.0832","0.0898","","","","","","1.027","","","","has coordinates","257550","2020-10-21","18:00:00",""
"7704810","8.935","0.005","13.293","0.007","17.094","0.008","68.521","0.016","89.266","0.008","80.532","0.007","1861.1","1.7","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47.36 Ag2 N10 O7.68 -","- C34 H47.366 Ag2 N10 O7.683 -","- C68 H94.732 Ag4 N20 O15.366 -","2","1","","Savić, Nada D; Petković, Branka B; Vojnovic, Sandra; Mojicevic, Marija; Wadepohl, Hubert; Olaifa, Kayode; Marsili, Enrico; Nikodinovic-Runic, Jasmina; Djuran, Miloš I; Glišić, Biljana Đ","Dinuclear silver(i) complexes with a pyridine-based macrocyclic type of ligand as antimicrobial agents against clinically relevant species: the influence of the counteranion on the structure diversification of the complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10880","10894","10.1039/d0dt01272f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0556","0.0352","","","0.0767","0.0856","","","","","","1.03","","","","has coordinates,has disorder","256090","2020-10-21","18:00:00",""
"7704811","9.711","0.005","14.665","0.007","14.596","0.007","90","","95.032","0.01","90","","2070.6","1.8","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ag2 F6 N8 O6 S2 -","- C36 H44 Ag2 F6 N8 O6 S2 -","- C72 H88 Ag4 F12 N16 O12 S4 -","2","0.5","","Savić, Nada D; Petković, Branka B; Vojnovic, Sandra; Mojicevic, Marija; Wadepohl, Hubert; Olaifa, Kayode; Marsili, Enrico; Nikodinovic-Runic, Jasmina; Djuran, Miloš I; Glišić, Biljana Đ","Dinuclear silver(i) complexes with a pyridine-based macrocyclic type of ligand as antimicrobial agents against clinically relevant species: the influence of the counteranion on the structure diversification of the complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10880","10894","10.1039/d0dt01272f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0296","0.0239","","","0.062","0.0645","","","","","","1.064","","","","has coordinates","256090","2020-10-21","18:00:00",""
"7704812","12.418","0.007","15.957","0.008","19.137","0.009","91.45","0.013","104.008","0.012","93.344","0.01","3670","3","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Ag2 B2 F8 N8 -","- C34 H44 Ag2 B2 F8 N8 -","- C136 H176 Ag8 B8 F32 N32 -","4","2","","Savić, Nada D; Petković, Branka B; Vojnovic, Sandra; Mojicevic, Marija; Wadepohl, Hubert; Olaifa, Kayode; Marsili, Enrico; Nikodinovic-Runic, Jasmina; Djuran, Miloš I; Glišić, Biljana Đ","Dinuclear silver(i) complexes with a pyridine-based macrocyclic type of ligand as antimicrobial agents against clinically relevant species: the influence of the counteranion on the structure diversification of the complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10880","10894","10.1039/d0dt01272f","","x-ray","0.71073","MoKα","","0.0635","0.0374","","","0.073","0.0828","","","","","","1.03","","","","has coordinates,has disorder","256090","2020-10-21","18:00:00",""
"7704813","11.2819","0.0009","12.0964","0.0011","14.1844","0.0012","114.237","0.003","92.361","0.001","106.855","0.002","1660.6","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H27 Br Cl Cu2 N5 O8 -","- C28 H27 Br Cl Cu2 N5 O8 -","- C56 H54 Br2 Cl2 Cu4 N10 O16 -","2","1","","Cao, Shuhua; Li, Xuezhao; Gao, Yong; Li, Fahui; Li, Kaoxue; Cao, Xuanxuan; Dai, Yiwen; Mao, Lirong; Wang, Shanshan; Tai, Xishi","A simultaneously GSH-depleted bimetallic Cu(ii) complex for enhanced chemodynamic cancer therapy.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11851","11858","10.1039/d0dt01742f","","","0.71073","MoKα","","0.183","0.1365","","","0.3203","0.3476","","","","","","1.168","","","","has coordinates,has disorder","256112","2020-10-21","18:00:00",""
"7704814","17.049","0.011","16.731","0.011","19.517","0.012","90","","92.238","0.008","90","","5563","6","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ru24-CN-OBz4BF4","","- C44 H44 B F4 N4 O14 Ru2 -","- C44 H44 B F4 N4 O14 Ru2 -","- C176 H176 B4 F16 N16 O56 Ru8 -","4","1","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1344","0.0693","","","0.1938","0.252","","","","","","0.986","","","","has coordinates","260792","2021-01-07","06:31:50",""
"7704815","12.455","0.005","19.023","0.008","16.766","0.007","90","","97.049","0.005","90","","3942","3","110","2","110.15","","","","","","","","","6","P 1 2/m 1","-P 2y","10","Ag_2a","","","- C32 H16 Ag N4 O10 Ru2 -","- C32 H16 Ag N4 O10 Ru2 -","- C64 H32 Ag2 N8 O20 Ru4 -","2","0.5","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1856","0.1409","","","0.406","0.4866","","","","","","1.793","","","","has coordinates","260792","2021-01-07","06:31:54",""
"7704816","9.906","0.009","10.758","0.01","13.971","0.013","88.365","0.013","80.634","0.012","86.788","0.013","1466","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Ag_2b","","","- C19 H14 Ag N2 O5 Ru -","- C19 H14 Ag N2 O5 Ru -","- C38 H28 Ag2 N4 O10 Ru2 -","2","1","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1149","0.0688","","","0.2073","0.2269","","","","","","1.083","","","","has coordinates","260792","2021-01-07","06:32:06",""
"7704817","11.1459","0.0016","23.537","0.004","11.6244","0.0016","90","","94.558","0.004","90","","3039.9","0.8","110","2","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Ag_2e","","","- C38 H18 Ag2 F6 N12 O12 Ru2 S2 -","- C38 H18 Ag2 F6 N12 O12 Ru2 S2 -","- C76 H36 Ag4 F12 N24 O24 Ru4 S4 -","2","0.5","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.096","0.0715","","","0.1633","0.1755","","","","","","1.052","","","","has coordinates","260792","2021-01-07","06:32:20",""
"7704818","27.328","0.01","26.528","0.009","19.548","0.007","90","","119.316","0.005","90","","12357","8","110","2","110.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Ag_2d","","","- C26.08 H16 Ag2 F6.25 N12 O8.25 Ru2 S2.08 -","- C26.0833 H16 Ag2 F6.2499 N12 O8.2499 Ru2 S2.0833 -","- C208.666 H128 Ag16 F49.9992 N96 O65.9992 Ru16 S16.6664 -","8","1","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1731","0.1201","","","0.3341","0.3825","","","","","","1.431","","","","has coordinates","260792","2021-01-07","06:32:31",""
"7704819","18.862","0.002","26.135","0.003","20.514","0.002","90","","91.362","0.002","90","","10109.7","1.9","110","2","110.15","","","","","","","","","8","C 1 2/m 1","-C 2y","12","Ag_2c","","","- C36.67 H12 Ag2 F2 N8 O12 Ru2 S0.67 -","- C36.6666 H12 Ag2 F1.9998 N8 O11.9998 Ru2 S0.6666 -","- C220 H72 Ag12 F11.9988 N48 O71.9988 Ru12 S3.9996 -","6","0.75","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.41328","synchrotron","","0.1489","0.1208","","","0.345","0.3826","","","","","","1.509","","","","has coordinates","260792","2021-01-07","06:32:36",""
"7704820","6.458","0.002","8.338","0.003","9.273","0.003","111.512","0.009","103.895","0.011","102.032","0.01","425.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- B3 Ba2 Cd O9 Sc -","- B3 Ba2 Cd O9 Sc -","- B6 Ba4 Cd2 O18 Sc2 -","2","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0167","0.0153","","","0.0382","0.0388","","","","","","1.098","","","","has coordinates","256111","2020-10-21","18:00:00",""
"7704821","12.702","0.002","13.673","0.002","6.421","0.0011","90","","94.932","0.006","90","","1111","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Cd2 O24 Y4 -","- B8 Ba4 Cd2 O24 Y4 -","- B16 Ba8 Cd4 O48 Y8 -","2","0.5","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0648","0.0483","","","0.1168","0.1235","","","","","","1.1","","","","has coordinates","256111","2020-10-21","18:00:00",""
"7704822","12.8053","0.0012","13.6581","0.0015","6.2287","0.0007","90","","98.634","0.004","90","","1077","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Mg2 O24 Y4 -","- B8 Ba4 Mg2 O24 Y4 -","- B16 Ba8 Mg4 O48 Y8 -","2","0.5","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.057","0.0472","","","0.129","0.1342","","","","","","1.097","","","","has coordinates","256111","2020-10-21","18:00:00",""
"7704823","11.2508","0.0008","11.9199","0.0009","15.2277","0.0014","105.431","0.002","94.168","0.001","108.872","0.002","1834.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 Cu N8 O11 V4 -","- C24 H39 Cu N8 O11 V4 -","- C48 H78 Cu2 N16 O22 V8 -","2","1","","Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun","Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10970","10976","10.1039/d0dt02162h","","","0.71073","MoKα","","0.0878","0.0611","","","0.1762","0.1938","","","","","","1.049","","","","has coordinates","256094","2020-10-21","18:00:00",""
"7704824","21.7725","0.0007","21.9575","0.0009","14.8458","0.0006","90","","90","","90","","7097.3","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C48 H80 Cu N16 O28 V10 -","- C48 H80 Cu N16 O28 V10 -","- C192 H320 Cu4 N64 O112 V40 -","4","0.5","","Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun","Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10970","10976","10.1039/d0dt02162h","","","1.54178","CuKα","","0.089","0.065","","","0.1738","0.1946","","","","","","1.04","","","","has coordinates","256094","2020-10-21","18:00:00",""
"7704825","9.2616","0.0007","5.5433","0.0004","17.1092","0.0011","90","","93.442","0.001","90","","876.8","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cu N4 O6 V2 -","- C12 H20 Cu N4 O6 V2 -","- C24 H40 Cu2 N8 O12 V4 -","2","0.5","","Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun","Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10970","10976","10.1039/d0dt02162h","","","1.54178","CuKα","","0.0561","0.04","","","0.1054","0.1136","","","","","","1.043","","","","has coordinates","256094","2020-10-21","18:00:00",""
"7704826","15.4863","0.0002","45.3078","0.0006","19.2032","0.0003","90","","103.069","0.002","90","","13124.9","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H86 Ag2 O58 Ti10 -","- C132 H86 Ag2 O58 Ti10 -","- C528 H344 Ag8 O232 Ti40 -","4","1","","Hou, Simin; Li, Qiaohong; Ding, Qing-Rong; Kang, Yao; Zhang, Jian; Zhang, Lei","Heterometallic Ag<sub>2</sub>Ti<sub>10</sub> and Ag<sub>4</sub>Ti<sub>8</sub>-oxo clusters with different silver doping models: synthesis, structure, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","11005","11009","10.1039/d0dt02396e","","x-ray","1.54184","CuKα","","0.1214","0.0899","","","0.2289","0.2544","","","","","","1.052","","","","has coordinates,has disorder","256086","2020-10-21","18:00:00",""
"7704827","15.5445","0.0003","27.2039","0.0006","25.2746","0.0006","90","","100.439","0.002","90","","10511","0.4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H124 Ag4 N2 O39 Ti8 -","- C74 H132 Ag4 N2 O39 Ti8 -","- C296 H528 Ag16 N8 O156 Ti32 -","4","0.5","","Hou, Simin; Li, Qiaohong; Ding, Qing-Rong; Kang, Yao; Zhang, Jian; Zhang, Lei","Heterometallic Ag<sub>2</sub>Ti<sub>10</sub> and Ag<sub>4</sub>Ti<sub>8</sub>-oxo clusters with different silver doping models: synthesis, structure, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","11005","11009","10.1039/d0dt02396e","","x-ray","1.54184","CuKα","","0.085","0.0617","","","0.1625","0.1823","","","","","","1.037","","","","has coordinates","256086","2020-10-21","18:00:00",""
"7704828","9.9016","0.0002","13.3519","0.0003","18.7267","0.0004","90","","90","","90","","2475.77","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl Ge N3 Si -","- C22 H36 Cl Ge N3 Si -","- C88 H144 Cl4 Ge4 N12 Si4 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.023","0.022","","","0.0584","0.0587","","","","","","1.041","","","","has coordinates,has disorder","256115","2020-10-21","18:00:00",""
"7704829","16.4377","0.0007","16.4377","0.0007","27.2437","0.0012","90","","90","","90","","7361.2","0.5","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge6 N4 Si4 -","- C60 H104 Ge6 N4 Si4 -","- C240 H416 Ge24 N16 Si16 -","4","0.5","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.0423","0.0377","","","0.0874","0.0906","","","","","","1.193","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704830","18.8048","0.0007","13.891","0.0005","21.7286","0.0008","90","","109.945","0.002","90","","5335.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 Ge2 N2 Si2 -","- C58 H72 Ge2 N2 Si2 -","- C232 H288 Ge8 N8 Si8 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.0287","0.0256","","","0.0655","0.0671","","","","","","1.045","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704831","8.4166","0.0004","14.6198","0.0006","16.8627","0.0007","69.719","0.001","85.876","0.001","76.067","0.001","1888.88","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H60 Ge2 N2 Si2 -","- C34 H60 Ge2 N2 Si2 -","- C68 H120 Ge4 N4 Si4 -","2","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.0262","0.0244","","","0.0613","0.0623","","","","","","1.048","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704832","9.1917","0.0003","10.5041","0.0004","13.6603","0.0005","100.762","0.001","90.7","0.001","106.892","0.001","1236.7","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H82 Ge2 N2 Si2 -","- C48 H82 Ge2 N2 Si2 -","- C48 H82 Ge2 N2 Si2 -","1","0.5","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","1.54178","CuKα","","0.0304","0.0301","","","0.0822","0.0824","","","","","","1.04","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704833","39.3542","0.0004","8.9707","0.0001","30.3706","0.0002","90","","109.407","0.001","90","","10112.7","0.18","100","0.11","100","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23.5 Cd N6 O10 S -","- C34 H23.5 Cd N6 O10 S -","- C272 H188 Cd8 N48 O80 S8 -","8","2","","Szufla, Monika; Roztocki, Kornel; Krawczuk, Anna; Matoga, Dariusz","One-step introduction of terminal sulfonic groups into a proton-conducting metal-organic framework by concerted deprotonation-metalation-hydrolysis reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9953","9956","10.1039/d0dt02017f","","x-ray","0.71073","MoKα","","0.0991","0.0882","","","0.2577","0.2644","","","","","","1.085","","","","has coordinates,has disorder","254943","2020-10-21","18:00:00",""
"7704834","25.895","0.002","26.301","0.002","12.2932","0.0011","90","","91.478","0.004","90","","8369.7","1.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C68 H69 Cd4 N8 O24 -","- C68 H69 Cd4 N8 O24 -","- C272 H276 Cd16 N32 O96 -","4","1","","Liu, Meiying; Liang, Jingjing; Xu, Xuebin; Liu, Zhiliang","An unusual high-frequency ferroelectric obtained via the post-synthetic modification of a metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10895","10900","10.1039/d0dt02066d","","","0.71073","MoKα","","0.0578","0.0563","","","0.1536","0.1552","","","","","","1.051","","","","has coordinates","256101","2020-10-21","18:00:00",""
"7704835","12.5779","0.0003","15.3268","0.0004","16.0033","0.0005","90","","90","","90","","3085.1","0.15","290","2","289.68","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 Co N5 O10 -","- C27 H28 Cl2 Co N5 O10 -","- C108 H112 Cl8 Co4 N20 O40 -","4","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0719","0.0565","","","0.1539","0.1641","","","","","","1.071","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704836","12.5559","0.0006","9.9926","0.0004","14.5754","0.0007","90","","113.235","0.002","90","","1680.4","0.13","298","2","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl2 Co N6 O10 -","- C31 H29 Cl2 Co N6 O10 -","- C62 H58 Cl4 Co2 N12 O20 -","2","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","x-ray","0.71073","MoKα","","0.0486","0.0401","","","0.0982","0.1079","","","","","","1.085","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704837","6.532","0.0011","9.9881","0.0018","11.068","0.002","71.076","0.006","86.884","0.005","89.537","0.005","682","0.2","273","2","273.15","","","","","","","","","6","P 1","P 1","1","","","","- C23 H28 Cl2 Co N5 O10 -","- C23 H28 Cl2 Co N5 O10 -","- C23 H28 Cl2 Co N5 O10 -","1","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0249","0.0247","","","0.0657","0.066","","","","","","1.044","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704838","10.4694","0.0003","12.8698","0.0005","22.5611","0.0008","90","","90","","90","","3039.86","0.18","298","2","297.92","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 Co N5 O10 -","- C25 H32 Cl2 Co N5 O10 -","- C100 H128 Cl8 Co4 N20 O40 -","4","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0685","0.0511","","","0.1333","0.1447","","","","","","1.047","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704839","14.819","0.0003","15.4014","0.0003","28.1536","0.0003","103.922","0.001","90.055","0.001","112.649","0.002","5724.3","0.2","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H128 N16 Ni9 O33 -","- C102 H128 N16 Ni9 O33 -","- C204 H256 N32 Ni18 O66 -","2","1","","Tian, Xue-Fei; Ji, Bao-Qian; Feng, Lei; Sheng, Kai; Su, Yan-Min; Jagodič, Marko; Jagličić, Zvonko; Tung, Chen-Ho; Sun, Di","Self-assembly of a nonanuclear Ni<sup>II</sup> cluster via atmospheric CO<sub>2</sub> fixation: synthesis, structure, collision-induced dissociation mass spectrometry and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10977","10982","10.1039/d0dt01573c","","x-ray","1.54184","CuKα","","0.0691","0.052","","","0.1369","0.154","","","","","","1.058","","","","has coordinates","256096","2020-10-21","18:00:00",""
"7704840","9.7449","0.0002","13.8069","0.0004","16.946","0.0004","90","","95.441","0.002","90","","2269.76","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H27 Cl2 N Ni P2 -","- C22 H27 Cl2 N Ni P2 -","- C88 H108 Cl8 N4 Ni4 P8 -","4","1","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","0.71073","MoKα","","0.0278","0.0263","","","0.0556","0.0564","","","","","","1.032","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704841","17.7452","0.0006","10.5763","0.0004","29.5471","0.0011","90","","96.599","0.003","90","","5508.6","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N Ni P2 -","- C29 H34 Cl N Ni P2 -","- C232 H272 Cl8 N8 Ni8 P16 -","8","2","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","0.71073","MoKα","","0.1103","0.073","","","0.1142","0.1265","","","","","","1.131","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704842","8.43393","0.00015","10.5673","0.0002","17.8435","0.0004","83.8079","0.0017","86.3096","0.0016","73.1764","0.0018","1512.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cl6 Ni P2 -","- C26 H32 Cl6 Ni P2 -","- C52 H64 Cl12 Ni2 P4 -","2","1","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","1.54184","CuKα","","0.0255","0.0249","","","0.0633","0.0637","","","","","","1.092","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704843","9.6486","0.0003","10.1503","0.0003","13.6583","0.0005","75.136","0.003","73.244","0.003","62.259","0.003","1121.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 Cu2 N2 P4 -","- C44 H54 Cl2 Cu2 N2 P4 -","- C44 H54 Cl2 Cu2 N2 P4 -","1","0.5","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","1.54184","CuKα","","0.0226","0.0221","","","0.0593","0.0596","","","","","","1.075","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704844","9.9874","0.0002","16.6163","0.0003","14.1086","0.0003","90","","97.565","0.002","90","","2320.99","0.08","99.96","0.12","99.96","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 N P2 Pt -","- C22 H27 Cl2 N P2 Pt -","- C88 H108 Cl8 N4 P8 Pt4 -","4","1","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","0.71073","MoKα","","0.0274","0.0236","","","0.0472","0.0488","","","","","","1.07","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704845","28.03203","0.00016","9.55406","0.00006","18.39924","0.0001","90","","93.0442","0.0005","90","","4920.73","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H28 Cl3 N P2 Pd -","- C22.5 H28 Cl3 N P2 Pd -","- C180 H224 Cl24 N8 P16 Pd8 -","8","2","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","1.54184","CuKα","","0.0336","0.0327","","","0.0837","0.0843","","","","","","1.039","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704846","19.5786","0.0009","29.0287","0.0013","9.9053","0.0004","90","","90","","90","","5629.6","0.4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N0 O10 P2 S Zn2 -","- C6 H4 O10 P2 S Zn2 -","- C48 H32 O80 P16 S8 Zn16 -","8","1","","Hsieh, Jui; Chen, Ju-Ying; Li, Han-Ying; Liu, Hsin-Kuan; Tu, Hsiung-Lin; Wang, Chih-Min","A thio-functionalized zinc phosphite with a large-channel framework and enhanced removal ability of mercury ion from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11085","11089","10.1039/d0dt02270e","","","0.71073","MoKα","","0.0702","0.0453","","","0.1237","0.1338","","","","","","1.014","","","","has coordinates","256065","2020-10-21","18:00:00",""
"7704847","9.706","0.003","16.933","0.004","24.815","0.006","90","","100.009","0.004","90","","4016.3","1.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","IrFe","","","- C37 H32 Cl7 Fe Ir N2 O P2 -","- C36.999 H31.998 Cl6.998 Fe Ir N2 O P2 -","- C147.996 H127.992 Cl27.992 Fe4 Ir4 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J.","Heterobimetallic complexes of IrM (M = Fe<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10509","10515","10.1039/d0dt01801e","","","0.71073","MoKα","","0.0286","0.0236","","","0.057","0.0586","","","","","","1.043","","","","has coordinates,has disorder","256084","2020-10-21","18:00:00",""
"7704848","21.731","0.007","12.688","0.004","15.533","0.005","90","","108.649","0.004","90","","4058","2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","IrCo_1","","","- C37 H32 Cl7 Co Ir N2 O P2 -","- C37 H32 Cl7 Co Ir N2 O P2 -","- C148 H128 Cl28 Co4 Ir4 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J.","Heterobimetallic complexes of IrM (M = Fe<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10509","10515","10.1039/d0dt01801e","","","0.71073","MoKα","","0.0786","0.0594","","","0.1377","0.1536","","","","","","1.09","","","","has coordinates,has disorder","256084","2020-10-21","18:00:00",""
"7704849","9.717","0.004","16.846","0.006","24.683","0.009","90","","99.673","0.006","90","","3983","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","IrNi","","","- C37 H32 Cl7 Ir N2 Ni O P2 -","- C37 H32 Cl7 Ir N2 Ni O P2 -","- C148 H128 Cl28 Ir4 N8 Ni4 O4 P8 -","4","1","","Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J.","Heterobimetallic complexes of IrM (M = Fe<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10509","10515","10.1039/d0dt01801e","","","0.71073","MoKα","","0.05","0.0388","","","0.0851","0.0903","","","","","","1.121","","","","has coordinates,has disorder","256084","2020-10-21","18:00:00",""
"7704850","6.9491","0.0006","14.9073","0.0012","10.6201","0.0009","90","","90","","90","","1100.16","0.16","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Na2 O11 P2 Y2 -","- B Cs Na2 O11 P2 Y2 -","- B4 Cs4 Na8 O44 P8 Y8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0207","0.0197","","","0.0478","0.0481","","","","","","1.163","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704851","6.875","0.0005","14.6919","0.001","10.5581","0.0007","90","","90","","90","","1066.44","0.13","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Lu2 Na2 O11 P2 -","- B Cs Lu2 Na2 O11 P2 -","- B4 Cs4 Lu8 Na8 O44 P8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0367","0.0371","","","","","","1.178","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704852","7.0291","0.0006","15.1435","0.0013","10.6895","0.0009","90","","90","","90","","1137.85","0.17","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Gd2 Na2 O11 P2 -","- B Cs Gd2 Na2 O11 P2 -","- B4 Cs4 Gd8 Na8 O44 P8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0194","0.018","","","0.0399","0.0403","","","","","","1.119","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704853","8.5554","0.0004","11.8305","0.0005","14.1576","0.0006","75.297","0.0014","86.9868","0.0014","88.2112","0.0013","1383.88","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H42 Co2 I N O S2 -","- C25 H42 Co2 I N O S2 -","- C50 H84 Co4 I2 N2 O2 S4 -","2","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0288","0.0277","","","0.0755","0.0764","","","","","","0.924","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704854","17.179","0.0008","14.6705","0.0007","30.3404","0.0014","90","","90","","90","","7646.5","0.6","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H49 Cl0 Co2 F12 N3 P2 S2 -","- C28 H49 Co2 F12 N3 P2 S2 -","- C224 H392 Co16 F96 N24 P16 S16 -","8","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0661","0.0548","","","0.1508","0.1588","","","","","","1.025","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704855","12.1666","0.0005","15.2586","0.0006","19.7131","0.0007","90","","93.8173","0.001","90","","3651.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Cl4 Co2 I2 N S2 -","- C26 H47 Cl4 Co2 I2 N S2 -","- C104 H188 Cl16 Co8 I8 N4 S8 -","4","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0341","0.0305","","","0.0852","0.0878","","","","","","1.062","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704856","8.565","0.002","28.994","0.007","12.607","0.003","90","","92.037","0.005","90","","3128.8","1.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H45 B0 Co2 F6 N2 P S2 -","- C26 H45 Co2 F6 N2 P S2 -","- C104 H180 Co8 F24 N8 P4 S8 -","4","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0467","0.0415","","","0.111","0.1138","","","","","","1.019","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704857","24.2727","0.0009","35.951","0.0013","7.6427","0.0003","90","","90","","90","","6669.2","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H43 Mo2 N5 O16 -","- C50 H32 Mo2 N5 O16 -","- C200 H128 Mo8 N20 O64 -","4","0.5","","Xia, Zhinan; Li, Fengyan; Xu, Lin; Feng, Pingyun","A stable and highly selective metalloporphyrin based framework for the catalytic oxidation of cyclohexene.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11157","11162","10.1039/d0dt01420f","","","0.71073","MoKα","","0.0867","0.0778","","","0.1952","0.2016","","","","","","1.014","","","","has coordinates","256064","2020-10-21","18:00:00",""
"7704858","15.7095","0.0004","27.2107","0.0009","20.1686","0.0005","90","","99.605","0.002","90","","8500.5","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H40 Br0.08 Dy N2.92 O16.75 Zn2 -","- C38 H40 Br0.0845 Dy N2.916 O16.748 Zn2 -","- C304 H320 Br0.676 Dy8 N23.328 O133.984 Zn16 -","8","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0664","0.0497","","","0.1318","0.1461","","","","","","1.035","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704859","13.0346","0.0007","13.9322","0.0009","15.7132","0.0009","75.924","0.005","67.502","0.005","78.161","0.005","2537.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40 Cl Dy N2 O14 Zn2 -","- C38 H40 Cl Dy N2 O14 Zn2 -","- C76 H80 Cl2 Dy2 N4 O28 Zn4 -","2","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0988","0.0628","","","0.1566","0.1772","","","","","","1.031","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704860","15.7454","0.0004","27.4209","0.0007","20.2012","0.0005","90","","99.431","0.002","90","","8604","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H40 Cl Dy N2 O18 Zn2 -","- C38 H40 Cl1.001 Dy N2 O18.004 Zn2 -","- C304 H320 Cl8.008 Dy8 N16 O144.032 Zn16 -","8","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0537","0.0407","","","0.0977","0.1053","","","","","","1.031","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704861","8.01763","0.00014","20.252","0.0004","28.7701","0.0005","86.2916","0.0015","87.5201","0.0015","87.6169","0.0015","4653.82","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.25 H43.75 Dy F6 N2 O14.75 P Zn2 -","- C39.25 H43.75 Dy F6 N2 O14.75 P Zn2 -","- C157 H175 Dy4 F24 N8 O59 P4 Zn8 -","4","2","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.1049","0.0617","","","0.1181","0.1397","","","","","","1.033","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704862","12.6578","0.0013","7.9469","0.0009","24.6","0.003","90","","97.192","0.003","90","","2455.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cl2 Ir N4 -","- C27 H25 Cl2 Ir N4 -","- C108 H100 Cl8 Ir4 N16 -","4","1","","Melis, Diana R.; Barnett, Christopher B.; Wiesner, Lubbe; Nordlander, Ebbe; Smith, Gregory S.","Quinoline-triazole half-sandwich iridium(III) complexes: synthesis, antiplasmodial activity and preliminary transfer hydrogenation studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11543","11555","10.1039/d0dt01935f","","","0.71073","MoKα","","0.05","0.0314","","","0.0615","0.0682","","","","","","1.009","","","","has coordinates","256070","2020-10-21","18:00:00",""
"7704863","7.9369","0.0005","22.7369","0.0014","28.4099","0.0016","90","","90","","90","","5126.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl3 Ir N4 -","- C27 H26 Cl3 Ir N4 -","- C216 H208 Cl24 Ir8 N32 -","8","1","","Melis, Diana R.; Barnett, Christopher B.; Wiesner, Lubbe; Nordlander, Ebbe; Smith, Gregory S.","Quinoline-triazole half-sandwich iridium(III) complexes: synthesis, antiplasmodial activity and preliminary transfer hydrogenation studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11543","11555","10.1039/d0dt01935f","","","0.71073","MoKα","","0.049","0.0266","","","0.0482","0.0546","","","","","","1.011","","","","has coordinates","256070","2020-10-21","18:00:00",""
"7704864","10.3064","0.0015","11.5974","0.0017","16.442","0.002","90","","93.429","0.003","90","","1961.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Cu2 Mn N4 O8 -","- C42 H46 Cu2 Mn N4 O8 -","- C84 H92 Cu4 Mn2 N8 O16 -","2","0.5","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0359","0.0311","","","0.0825","0.0884","","","","","","1.106","","","","has coordinates","256053","2020-10-21","18:00:00",""
"7704865","11.0088","0.0006","11.5219","0.0007","19.5333","0.0012","94.18","0.002","94.333","0.002","117.861","0.002","2167.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50.5 Cu2 Mn N6 O11.5 -","- C41 H50.5 Cu2 Mn N6 O11.5 -","- C82 H101 Cu4 Mn2 N12 O23 -","2","1","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0815","0.0649","","","0.1736","0.1835","","","","","","1.121","","","","has coordinates","256053","2020-10-21","18:00:00",""
"7704866","20.3123","0.0006","14.2566","0.0004","16.4904","0.0005","90","","95.126","0.002","90","","4756.3","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cl Cu2 Mn N4 O7.5 -","- C45 H45 Cl Cu2 Mn N4 O7.5 -","- C180 H180 Cl4 Cu8 Mn4 N16 O30 -","4","0.5","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0932","0.0631","","","0.1992","0.2286","","","","","","1.085","","","","has coordinates,has disorder","256053","2020-10-21","18:00:00",""
"7704867","15.6553","0.0019","16.993","0.002","19.634","0.002","90","","110.755","0.005","90","","4884.3","1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 Cl Cu2 Mn N4 O15 -","- C45 H47 Cl Cu2 Mn N4 O15 -","- C180 H188 Cl4 Cu8 Mn4 N16 O60 -","4","1","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.1646","0.0792","","","0.1927","0.2523","","","","","","1.05","","","","has coordinates,has disorder","256053","2020-10-21","18:00:00",""
"7704868","24.514","0.002","10.5637","0.0009","15.9325","0.0014","90","","95.259","0.003","90","","4108.5","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H48 Cl Cu2 Mn N4 O12 -","- C40 H47 Cl Cu2 Mn N4 O12 -","- C160 H188 Cl4 Cu8 Mn4 N16 O48 -","4","1","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0558","0.0486","","","0.1192","0.1247","","","","","","1.019","","","","has coordinates,has disorder","256053","2020-10-21","18:00:00",""
"7704869","14.303","0.004","15.673","0.005","15.979","0.005","107.04","0.03","99.23","0.03","97.21","0.03","3323.5","1.9","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C128.4 H144.4 Ca2 Mn6 N12.2 O34.9 -","- C128.4 H142.6 Ca2 Mn6 N12.2 O34.9 -","- C128.4 H142.6 Ca2 Mn6 N12.2 O34.9 -","1","0.5","","Tziotzi, Thomais G.; Andreou, Evangelos K.; Tzanetou, Eirini; Kalofolias, Dimitris A.; Cutler, Daniel J.; Weselski, Marek; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","The first amino acid bound manganese-calcium clusters: a {[MnCa]<sub>2</sub>} methylalanine complex, and a [MnCa] trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10339","10343","10.1039/d0dt01916j","","","0.71073","MoKα","","0.105","0.0674","","","0.1719","0.201","","","","","","1.006","","","","has coordinates,has disorder","257535","2020-10-21","18:00:00",""
"7704870","21.029","0.004","21.029","0.004","143.48","0.06","90","","90","","120","","54949","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C66 H100.2 Ca Cl2 Mn6 N6 O46.1 -","- C66 H89.25 Ca Cl2 Mn6 N6 O46.1 -","- C1584 H2142 Ca24 Cl48 Mn144 N144 O1106.4 -","24","0.666667","","Tziotzi, Thomais G.; Andreou, Evangelos K.; Tzanetou, Eirini; Kalofolias, Dimitris A.; Cutler, Daniel J.; Weselski, Marek; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","The first amino acid bound manganese-calcium clusters: a {[MnCa]<sub>2</sub>} methylalanine complex, and a [MnCa] trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10339","10343","10.1039/d0dt01916j","","","0.71073","MoKα","","0.1749","0.1061","","","0.1777","0.2075","","","","","","1.125","","","","has coordinates,has disorder","257535","2020-10-21","18:00:00",""
"7704871","9.1989","0.0006","18.1118","0.0011","12.3062","0.0008","90","","107.226","0.007","90","","1958.4","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O7 S Zn -","- C19 H16 N4 O7 S Zn -","- C76 H64 N16 O28 S4 Zn4 -","4","1","","Xu, Tian-Yang; Nie, Hong-Jiao; Li, Jia-Ming; Shi, Zhong-Feng","Highly selective sensing of Fe<sup>3+</sup>/Hg<sup>2+</sup> and proton conduction using two fluorescent Zn(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11129","11141","10.1039/d0dt02327b","","x-ray","0.71073","MoKα","","0.0391","0.0314","","","0.0777","0.0832","","","","","","1.063","","","","has coordinates","256058","2020-10-21","18:00:00",""
"7704872","12.6892","0.0009","18.5404","0.0013","22.1736","0.0016","90","","93.755","0.001","90","","5205.4","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N12 O15.5 S2 Zn3 -","- C50 H44 N12 O15.5 S2 Zn3 -","- C200 H176 N48 O62 S8 Zn12 -","4","1","","Xu, Tian-Yang; Nie, Hong-Jiao; Li, Jia-Ming; Shi, Zhong-Feng","Highly selective sensing of Fe<sup>3+</sup>/Hg<sup>2+</sup> and proton conduction using two fluorescent Zn(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11129","11141","10.1039/d0dt02327b","","","0.71073","MoKα","","0.0619","0.038","","","0.0913","0.1025","","","","","","1.042","","","","has coordinates,has disorder","256058","2020-10-21","18:00:00",""
"7704873","17.0267","0.0005","16.8322","0.0005","22.5364","0.0008","90","","90","","90","","6458.9","0.4","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H64 N6 O8 Tb2 -","- C76 H64 N6 O8 Tb2 -","- C304 H256 N24 O32 Tb8 -","4","0.5","","Hahn, Peter; Ullmann, Steve; Klose, Jennifer; Peng, Yan; Powell, Annie K.; Kersting, Berthold","Dinuclear Tb and Dy complexes supported by hybrid Schiff-base/calixarene ligands: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10901","10908","10.1039/d0dt02209h","","","1.54186","CuKα","","0.1051","0.0719","","","0.1647","0.1835","","","","","","1.066","","","","has coordinates","256089","2020-10-21","18:00:00",""
"7704874","16.8208","0.0005","16.9909","0.0004","22.5406","0.0007","90","","90","","90","","6442.1","0.3","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H64 Dy2 N6 O8 -","- C76 H64 Dy2 N6 O8 -","- C304 H256 Dy8 N24 O32 -","4","0.5","","Hahn, Peter; Ullmann, Steve; Klose, Jennifer; Peng, Yan; Powell, Annie K.; Kersting, Berthold","Dinuclear Tb and Dy complexes supported by hybrid Schiff-base/calixarene ligands: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10901","10908","10.1039/d0dt02209h","","","1.54186","CuKα","","0.1034","0.0713","","","0.1817","0.2067","","","","","","0.946","","","","has coordinates","256089","2020-10-21","18:00:00",""
"7704875","38.4703","0.0007","32.873","0.0007","11.9611","0.0003","90","","90","","90","","15126.4","0.6","100.02","0.12","100.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","CuATSMF18Glu","CuL1","","- C28 H33 Cu F18 N7 O9 S2 -","- C28 H33 Cu F18 N7 O9 S2 -","- C336 H396 Cu12 F216 N84 O108 S24 -","12","3","","Kadakia, Rahul T.; Xie, Da; Guo, Hongyu; Bouley, Bailey; Yu, Meng; Que, Emily L.","Responsive fluorinated nanoemulsions for <sup>19</sup>F magnetic resonance detection of cellular hypoxia.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16419","16424","10.1039/d0dt01182g","","","1.54184","CuKα","","0.093","0.0738","","","0.1796","0.195","","","","","","1.043","","","","has coordinates,has disorder","260789","2021-01-07","06:30:59",""
"7704876","4.653","0.0015","11.365","0.002","16.636","0.004","70.59","0.018","88.62","0.02","86.101","0.019","827.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N4 O Pb -","- C12 H10 I2 N4 O Pb -","- C24 H20 I4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","x-ray","0.71073","MoKα","","0.1093","0.0554","","","0.1281","0.1509","","","","","","1.037","","","","has coordinates","256061","2020-10-21","18:00:00",""
"7704877","9.1144","0.0018","11.331","0.002","12.168","0.002","81.869","0.003","74.622","0.004","71.2","0.003","1144.9","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N6 O8 Pb -","- C19 H18 N6 O8 Pb -","- C38 H36 N12 O16 Pb2 -","2","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","","0.71073","MoKα","","0.0355","0.0301","","","0.0752","0.0785","","","","","","1.072","","","","has coordinates,has disorder","256061","2020-10-21","18:00:00",""
"7704878","6.8225","0.0002","18.6186","0.0005","11.9818","0.0003","90","","104.108","0.003","90","","1476.09","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N4 O Pb -","- C13 H11 I N4 O Pb -","- C52 H44 I4 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","","0.71073","MoKα","","0.0384","0.0297","","","0.0496","0.0526","","","","","","1.029","","","","has coordinates","256061","2020-10-21","18:00:00",""
"7704879","6.7965","0.0005","7.187","0.0006","11.82","0.0009","75.46","0.001","82.148","0.001","77.434","0.001","543.43","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 N4 Pb S2 -","- C8 H5 N4 Pb S2 -","- C16 H10 N8 Pb2 S4 -","2","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","","0.71073","MoKα","","0.0352","0.0318","","","0.0897","0.0928","","","","","","1.104","","","","has coordinates","256061","2020-10-21","18:00:00",""
"7704880","11.4532","0.0005","15.8034","0.0007","18.1543","0.0008","90","","95.0909","0.0016","90","","3273","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 F6 Ir N6 O2 P -","- C34 H32 F6 Ir N6 O2 P -","- C136 H128 F24 Ir4 N24 O8 P4 -","4","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.0214","0.0161","","","0.0348","0.0367","","","","","","1.054","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704881","12.72","0.0011","14.3155","0.0012","19.917","0.0017","86.983","0.003","79.538","0.003","78.218","0.002","3490.9","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H60 F12 Ir2 N14 O2 P2 -","- C64 H60 F12 Ir2 N14 O2 P2 -","- C128 H120 F24 Ir4 N28 O4 P4 -","2","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.1517","0.0735","","","0.1514","0.17","","","","","","0.958","","","","has coordinates,has disorder","257521","2020-10-21","18:00:00",""
"7704882","12.4261","0.0012","15.8044","0.0015","19.8347","0.0019","76.196","0.003","74.21","0.003","81.438","0.003","3625.3","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H71 F16 Ir2 N13 O3 P2 -","- C70 H71 F16 Ir2 N13 O3 P2 -","- C140 H142 F32 Ir4 N26 O6 P4 -","2","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.1505","0.064","","","0.1165","0.1398","","","","","","0.989","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704883","12.1186","0.0012","12.2241","0.001","12.9851","0.0011","72.172","0.003","77.714","0.003","88.934","0.003","1787","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 N6 O2 -","- C36 H52 N6 O2 -","- C72 H104 N12 O4 -","2","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.0964","0.0556","","","0.1208","0.1369","","","","","","1.021","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704884","15.5025","0.0012","10.4734","0.0008","11.3532","0.0009","90","","93.231","0.007","90","","1840.4","0.2","120","","120","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H20 N6 O2 -","- C20 H20 N6 O2 -","- C80 H80 N24 O8 -","4","0.5","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.1101","0.0565","","","0.1088","0.1299","","","","","","1.02","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704885","12.2674","0.0011","16.3422","0.0015","21.227","0.002","75.235","0.003","76.582","0.003","87.493","0.003","4002.1","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C141 H150 F18 Ir4 N26 O5 P3 -","- C141 H150 F18 Ir4 N26 O5 P3 -","- C141 H150 F18 Ir4 N26 O5 P3 -","1","0.5","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.0674","0.0484","","","0.1054","0.1166","","","","","","1.053","","","","has coordinates,has disorder","257521","2020-10-21","18:00:00",""
"7704886","15.168","0.002","25.268","0.004","28.983","0.004","90","","102.353","0.003","90","","10851","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H71 Cu12 Eu3 I12 N14 O23 -","- C69 H71 Cu12 Eu3 I12 N14 O23 -","- C276 H284 Cu48 Eu12 I48 N56 O92 -","4","1","","Guo, Feng; Su, Changhua; Fan, Yuhang; Shi, Wenbing; Zhang, Xiuling; Xu, Jiakun","Coordination-driven assembly of a 3d-4f heterometallic organic framework with 1D Cu<sub>4</sub>I<sub>4</sub> and Eu-based chains: syntheses, structures and various properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11209","11216","10.1039/d0dt01811b","","","0.71073","MoKα","","0.0601","0.0385","","","0.0802","0.0866","","","","","","1.032","","","","has coordinates,has disorder","256057","2020-10-21","18:00:00",""
"7704887","14.0953","0.0002","9.4611","0.0001","11.5348","0.0001","90","","105.609","0.001","90","","1481.52","0.03","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H21 Cl2 Ga N2 -","- C11 H21 Cl2 Ga N2 -","- C44 H84 Cl8 Ga4 N8 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0328","0.0328","","","0.0864","0.0864","","","","","","1.091","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704888","12.5681","0.0001","12.3916","0.0001","23.3708","0.0002","90","","90","","90","","3639.74","0.05","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H32.5 Ga0.5 N -","- C20 H32.5 Ga0.5 N -","- C160 H260 Ga4 N8 -","8","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.037","0.0357","","","0.0964","0.0976","","","","","","1.055","","","","has coordinates,has disorder","256062","2020-10-21","18:00:00",""
"7704889","14.8846","0.0002","14.9936","0.0002","19.007","0.0003","90","","90","","90","","4241.86","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl2 Ga N -","- C20 H32 Cl2 Ga N -","- C160 H256 Cl16 Ga8 N8 -","8","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0531","0.0501","","","0.1347","0.1379","","","","","","1.072","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704890","10.5387","0.0001","12.5325","0.0001","18.4981","0.0001","100.081","0.001","99.022","0.001","112.962","0.001","2145.48","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C47 H70 Ga N3 -","- C47 H70 Ga N3 -","- C94 H140 Ga2 N6 -","2","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0362","0.0337","","","0.0887","0.0907","","","","","","1.008","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704891","16.4027","0.0002","19.2302","0.0002","18.9987","0.0002","90","","111.717","0.001","90","","5567.36","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cl4 Ga2 N4 -","- C54 H74 Cl4 Ga2 N4 -","- C216 H296 Cl16 Ga8 N16 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0404","0.0363","","","0.0958","0.0984","","","","","","1.048","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704892","7.4953","0.0001","15.4509","0.0003","8.4772","0.0002","90","","103.862","0.002","90","","953.14","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Ga N2 -","- C7 H15 Ga N2 -","- C28 H60 Ga4 N8 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0327","0.0312","","","0.0886","0.09","","","","","","0.92","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704893","12.6504","0.0002","15.3371","0.0003","15.5035","0.0003","63.215","0.002","86.682","0.002","83.655","0.002","2668.69","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H82 Ga2 N4 -","- C54 H82 Ga2 N4 -","- C108 H164 Ga4 N8 -","2","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.053","0.0493","","","0.1393","0.1436","","","","","","1.069","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704894","13.7109","0.0001","13.0468","0.0002","18.9477","0.0002","90","","101.924","0.001","90","","3316.29","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H57 Ga N3 -","- C34 H57 Ga N3 -","- C136 H228 Ga4 N12 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0378","0.0344","","","0.0902","0.0923","","","","","","1.097","","","","has coordinates,has disorder","256062","2020-10-21","18:00:00",""
"7704895","9.3195","0.0002","15.9016","0.0003","18.0954","0.0003","100.595","0.002","93.021","0.001","91.58","0.002","2630.37","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H92 Ga2 N6 -","- C54 H92 Ga2 N6 -","- C108 H184 Ga4 N12 -","2","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0366","0.0339","","","0.0918","0.0942","","","","","","0.958","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704896","15.2164","0.0001","10.8601","0.0001","19.7874","0.0002","90","","92.335","0.001","90","","3267.18","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 Cl2 Ga N3 -","- C31 H52 Cl2 Ga N3 -","- C124 H208 Cl8 Ga4 N12 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.033","0.0303","","","0.0803","0.0822","","","","","","1.04","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704897","9.3866","0.0009","17.0136","0.0017","21.57","0.002","111.875","0.004","98.356","0.004","91.005","0.004","3153.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H53 Cl Ga N3 -","- C31 H53 Cl Ga N3 -","- C124 H212 Cl4 Ga4 N12 -","4","2","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","0.71073","MoKα","","0.0568","0.0432","","","0.103","0.1106","","","","","","0.843","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704898","9.7512","0.0005","10.0492","0.0009","17.5693","0.0019","77.168","0.0018","73.91","0.0017","85.261","0.002","1612.5","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Cl N4 Pt -","- C36 H45 Cl N4 Pt -","- C72 H90 Cl2 N8 Pt2 -","2","1","","Qiu, Yuqing; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Guo, Yingchen; Qiu, Dongfang","White light emission from a green cyclometalated platinum(ii) terpyridylphenylacetylide upon titration with Zn(ii) and Eu(iii ).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11163","11169","10.1039/d0dt02336a","","","0.71073","MoKα","","0.0586","0.0435","","","0.0803","0.0867","","","","","","1.082","","","","has coordinates","256055","2020-10-21","18:00:00",""
"7704899","10.536","0.0008","11.9418","0.001","20.8159","0.0017","96.159","0.003","97.366","0.003","110.571","0.002","2398.8","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H59 N7 Pt -","- C59 H59 N7 Pt -","- C118 H118 N14 Pt2 -","2","1","","Qiu, Yuqing; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Guo, Yingchen; Qiu, Dongfang","White light emission from a green cyclometalated platinum(ii) terpyridylphenylacetylide upon titration with Zn(ii) and Eu(iii ).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11163","11169","10.1039/d0dt02336a","","","0.71073","MoKα","","0.0766","0.0488","","","0.0769","0.0874","","","","","","1.028","","","","has coordinates,has disorder","256055","2020-10-21","18:00:00",""
"7704900","40.7539","0.0019","40.7539","0.0019","20.1854","0.0009","90","","90","","90","","33526","3","150","","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C83.5 H104 Dy2 N4 O15.5 -","- C83.5 H104 Dy2 N4 O15.5 -","- C1336 H1664 Dy32 N64 O248 -","16","1","","Ke, Hongshan; Yang, Yongsheng; Wei, Wen; Jiang, Youdong; Zhang, Yi-Quan; Xie, Gang; Chen, Sanping","Synergistic effect of mixed ligands on the anisotropy axis of two dinuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10594","10602","10.1039/d0dt02139c","","","0.71073","MoKα","","0.0872","0.0505","","","0.1004","0.1163","","","","","","1.068","","","","has coordinates,has disorder","257529","2020-10-21","18:00:00",""
"7704901","26.065","0.003","26.065","0.003","36.149","0.006","90","","90","","120","","21269","5","296.98","","296.98","","","","","","","","","5","R 3 :H","R 3","146","","","","- C91 H116 Dy2 N4 O14 -","- C91 H116 Dy2 N4 O14 -","- C819 H1044 Dy18 N36 O126 -","9","1","","Ke, Hongshan; Yang, Yongsheng; Wei, Wen; Jiang, Youdong; Zhang, Yi-Quan; Xie, Gang; Chen, Sanping","Synergistic effect of mixed ligands on the anisotropy axis of two dinuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10594","10602","10.1039/d0dt02139c","","","1.54178","CuKα","","0.0728","0.0595","","","0.1585","0.1663","","","","","","1.185","","","","has coordinates,has disorder","257529","2020-10-21","18:00:00",""
"7704902","13.8086","0.0001","16.6672","0.0001","25.6761","0.0002","90","","103.509","0.001","90","","5745.88","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H71 Ca N2 O P Sn -","- C65 H71 Ca N2 O P Sn -","- C260 H284 Ca4 N8 O4 P4 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0381","0.0304","","","0.0682","0.0711","","","","","","1.017","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704903","11.7504","0.00006","19.53398","0.00009","20.68576","0.0001","90","","91.9625","0.0004","90","","4745.26","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H64 Mg N2 O Sn -","- C51 H64 Mg N2 O Sn -","- C204 H256 Mg4 N8 O4 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0374","0.0356","","","0.0919","0.0936","","","","","","1.037","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704904","12.2886","0.0001","39.839","0.0003","10.8375","0.0001","90","","109.143","0.001","90","","5012.28","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 Ca N2 O2 Sn -","- C55 H72 Ca N2 O2 Sn -","- C220 H288 Ca4 N8 O8 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0445","0.0414","","","0.103","0.1054","","","","","","1.029","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704905","26.2727","0.0004","29.203","0.0004","29.141","0.0005","90","","100.881","0.002","90","","21956.2","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H78 Ca N4 O Sn -","- C58 H78 Ca N4 O Sn -","- C928 H1248 Ca16 N64 O16 Sn16 -","16","4","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0766","0.0632","","","0.1589","0.173","","","","","","1.06","","","","has coordinates","257526","2020-10-21","18:00:00",""
"7704906","11.6076","0.0001","17.5323","0.0001","12.4069","0.0001","90","","91.72","0.001","90","","2523.76","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H72 Ca N2 O Sn -","- C55 H72 Ca N2 O Sn -","- C110 H144 Ca2 N4 O2 Sn2 -","2","0.5","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0348","0.0339","","","0.0898","0.0909","","","","","","1.047","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704907","13.0529","0.0002","18.2412","0.0003","23.3362","0.0004","90","","105.143","0.002","90","","5363.43","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H77 Mg N4 Sn -","- C54 H70 Mg N4 Sn -","- C216 H280 Mg4 N16 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","0.71073","MoKα","","0.0365","0.0282","","","0.0633","0.0672","","","","","","1.022","","","","has coordinates","257526","2020-10-21","18:00:00",""
"7704908","20.3538","0.0002","10.4069","0.0001","20.6522","0.0002","90","","113.418","0.001","90","","4014.22","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C176 H192 Sn12 -","- C176 H192 Sn12 -","- C176 H192 Sn12 -","1","0.25","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0362","0.0337","","","0.0875","0.0898","","","","","","1.047","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704909","11.6369","0.0007","12.9702","0.0007","15.9325","0.0008","90","","109.95","0.006","90","","2260.4","0.2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br Cl N3 O Ru -","- C25 H21 Br Cl N3 O Ru -","- C100 H84 Br4 Cl4 N12 O4 Ru4 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.0495","0.0326","","","0.067","0.0741","","","","","","1.049","","","","has coordinates","256060","2020-10-21","18:00:00",""
"7704910","9.5226","0.0003","12.4404","0.0005","18.1571","0.0007","90","","90","","90","","2150.98","0.14","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N3 O Ru -","- C25 H22 Cl N3 O Ru -","- C100 H88 Cl4 N12 O4 Ru4 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.0406","0.0314","","","0.0596","0.0639","","","","","","1.048","","","","has coordinates,has disorder","256060","2020-10-21","18:00:00",""
"7704911","10.8358","0.0006","7.4023","0.0004","23.0943","0.0014","90","","96.837","0.006","90","","1839.22","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.088","0.053","","","0.1227","0.1452","","","","","","1.02","","","","has coordinates","256060","2020-10-21","18:00:00",""
"7704912","23.856","0.004","8.3192","0.0018","17.006","0.003","90","","90","","90","","3375.1","1.1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C152 H128 Br8 N24 O8 -","8","2","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.1077","0.0564","","","0.1281","0.1554","","","","","","1.029","","","","has coordinates,has disorder","256060","2020-10-21","18:00:00",""
"7704913","11.4635","0.0003","12.8709","0.0004","16.2088","0.0004","90","","108.314","0.003","90","","2270.4","0.11","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl N3 O2 Ru -","- C26 H24 Cl N3 O2 Ru -","- C104 H96 Cl4 N12 O8 Ru4 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.0448","0.0317","","","0.0728","0.081","","","","","","1.043","","","","has coordinates","256060","2020-10-21","18:00:00",""
"7704914","16.0291","0.0019","8.3132","0.001","17.158","0.002","90","","91.52","0.002","90","","2285.6","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O6 Zn -","- C24 H16 N6 O6 Zn -","- C96 H64 N24 O24 Zn4 -","4","1","","Zhang, Shi-Hui; Zhang, Shu-Yu; Li, Jing-Rong; Huang, Zhen-Qi; Yang, Jing; Yue, Ke-Fen; Wang, Yao-Yu","Rational synthesis of an ultra-stable Zn(ii) coordination polymer based on a new tripodal pyrazole ligand for the highly sensitive and selective detection of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11201","11208","10.1039/d0dt01996h","","","0.71073","MoKα","","0.0479","0.0348","","","0.0849","0.0911","","","","","","1.041","","","","has coordinates","256059","2020-10-21","18:00:00",""
"7704915","18.4346","0.0007","4.2211","0.0002","28.6476","0.0014","90","","101.236","0.004","90","","2186.47","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cu2 I2 N3 O4 S2 -","- C14 H11 Cu2 I2 N3 O4 S2 -","- C56 H44 Cu8 I8 N12 O16 S8 -","4","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0808","0.0561","","","0.0952","0.1025","","","","","","1.122","","","","has coordinates","257534","2020-10-21","18:00:00",""
"7704916","15.8563","0.0005","15.8563","0.0005","6.565","0.0002","90","","90","","120","","1429.45","0.08","293","2","293","2","","","","","","","","7","P 63","P 6c","173","","","","- C6 H5 Cl Cu N O2 S -","- C6 H5 Cl1.001 Cu N O2 S -","- C36 H30 Cl6.006 Cu6 N6 O12 S6 -","6","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0769","0.0534","","","0.1165","0.1276","","","","","","1.053","","","","has coordinates,has disorder","257534","2020-10-21","18:00:00",""
"7704917","15.8563","0.0005","15.8563","0.0005","6.565","0.0002","90","","90","","120","","1429.45","0.08","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C6 H5 Cl Cu N O2 S -","- C6 H5 Cl1.002 Cu N O2 S -","- C36 H30 Cl6.012 Cu6 N6 O12 S6 -","6","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0582","0.0434","","","0.1044","0.1113","","","","","","1.057","","","","has coordinates,has disorder","257534","2020-10-21","18:00:00",""
"7704918","3.9074","0.0001","5.9276","0.0002","27.9248","0.001","90","","92.441","0.002","90","","646.19","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Kh23Cu6mna","","","- C6 H4 Cu N O2 S -","- C6 H4 Cu N O2 S -","- C24 H16 Cu4 N4 O8 S4 -","4","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","","0.71073","MoKα","","0.0472","0.0304","","","0.0819","0.1172","","","","","","1.043","","","","has coordinates","257534","2020-10-21","18:00:00",""
"7704919","19.4496","0.0015","11.4429","0.0009","29.881","0.002","90","","90","","90","","6650.3","0.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H0 Mo4 O29 Ti4 -","- C50 Mo4 O29 Ti4 -","- C200 Mo16 O116 Ti16 -","4","1","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1142","0.0814","","","0.1695","0.201","","","","","","1.172","","","","has coordinates","257527","2020-10-21","18:00:00",""
"7704920","11.6103","0.0008","19.6212","0.0014","31.014","0.002","90","","90","","90","","7065.2","0.8","192","2","192","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 Br Mo2 O14 Ti2 -","- C25 H47 Br Mo2 O14 Ti2 -","- C200 H376 Br8 Mo16 O112 Ti16 -","8","1","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1097","0.0633","","","0.137","0.1572","","","","","","1.145","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7704921","16.582","0.002","11.7633","0.0019","19.247","0.003","90","","111.121","0.004","90","","3502.1","0.9","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H94 F2 Mo4 O28 Ti4 -","- C50 H94 F2 Mo4 O28 Ti4 -","- C100 H188 F4 Mo8 O56 Ti8 -","2","0.5","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1042","0.069","","","0.1392","0.1705","","","","","","1.04","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7704922","11.592","0.003","19.701","0.005","30.995","0.007","90","","90","","90","","7078","3","192","2","192","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H94 Cl2 Mo4 O28 Ti4 -","- C50 H92.3482 Cl2 Mo4 O28 Ti4 -","- C200 H369.393 Cl8 Mo16 O112 Ti16 -","4","0.5","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.0944","0.0691","","","0.1513","0.181","","","","","","1.164","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7704923","15.2848","0.0007","15.2848","0.0007","56.084","0.003","90","","90","","120","","11347.2","1","193","2","193","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C36 H23 In3 N4 O12 -","- C38 H23 In3 N6 O12 -","- C342 H207 In27 N54 O108 -","9","0.25","","Zhang, Chenghui; Shi, Huaizhong; Yan, Yan; Sun, Libo; Ye, Yu; Lu, Yizhong; Liang, Zhiqiang; Li, Jiyang","A zwitterionic ligand-based water-stable metal-organic framework showing photochromic and Cr(vi) removal properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10613","10620","10.1039/c9dt04679h","","","0.71073","MoKα","","0.0285","0.0275","","","0.0793","0.0801","","","","","","1.136","","","","has coordinates,has disorder","257524","2020-10-21","18:00:00",""
"7704924","11.137","0.002","11.886","0.002","15.124","0.003","90.47","0.03","102.4","0.03","117.86","0.03","1715","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cd N2 O6 -","- C42 H32 Cd N2 O6 -","- C84 H64 Cd2 N4 O12 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.1051","0.0673","","","0.0925","0.1047","","","","","","1.089","","","","has coordinates","256088","2020-10-21","18:00:00",""
"7704925","10.627","0.0009","11.616","0.001","15.3245","0.001","80.274","0.006","77.576","0.006","66.012","0.008","1680.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cd N2 O6 -","- C42 H32 Cd N2 O6 -","- C84 H64 Cd2 N4 O12 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0972","0.0561","","","0.1254","0.1391","","","","","","0.947","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704926","7.8069","0.0006","11.1225","0.0009","14.1952","0.0012","85.643","0.007","84.3","0.007","82.732","0.007","1214.14","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 Cd N2 O7 -","- C29 H22 Cd N2 O7 -","- C58 H44 Cd2 N4 O14 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0593","0.0413","","","0.0831","0.0892","","","","","","1.066","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704927","8.7349","0.0004","9.9047","0.0004","14.6223","0.0005","99.202","0.002","103.688","0.002","92.437","0.002","1209.06","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 N4 O6 S Zn -","- C28 H22 N4 O6 S Zn -","- C56 H44 N8 O12 S2 Zn2 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0537","0.043","","","0.1024","0.1074","","","","","","1.087","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704928","8.7635","0.0004","9.9015","0.0005","14.6288","0.0007","99.446","0.001","103.68","0.001","92.466","0.001","1212.19","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 N8 O12 S2 Zn2 -","- C56 H44 N8 O12 S2 Zn2 -","- C56 H44 N8 O12 S2 Zn2 -","1","0.5","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0423","0.0369","","","0.0886","0.0908","","","","","","1.089","","","","has coordinates","256088","2020-10-21","18:00:00",""
"7704929","7.9063","0.0006","11.1283","0.0006","14.1644","0.0008","84.249","0.005","85.233","0.006","81.271","0.006","1222.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Cd N2 O7 -","- C29 H22 Cd N2 O7 -","- C58 H44 Cd2 N4 O14 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0489","0.0364","","","0.0625","0.0683","","","","","","1.049","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704930","10.8264","0.0004","11.7605","0.0004","12.8454","0.0004","72.985","0.001","79.216","0.001","66.578","0.001","1430.39","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Uranyl derivative","","","- C29 H25 N7 O5 U -","- C29 H25 N7 O5 U -","- C58 H50 N14 O10 U2 -","2","1","","Sethi, Sipun; Panigrahi, Rachita; Paul, Avijit Kumar; Mallik, Bhabani S.; Parhi, Purnendu; Das, Pradeep Kumar; Behera, Nabakrushna","Detailed characterization of dioxouranium(vi) complexes with a symmetrical tetradentate N<sub>2</sub>O<sub>2</sub>-benzil bis(isonicotinoyl hydrazone) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10603","10612","10.1039/d0dt02014a","","","0.71073","MoKα","","0.0274","0.0223","","","0.0535","0.0638","","","","","","1.089","","","","has coordinates","257528","2020-10-21","18:00:00",""
"7704931","10.164","0.004","15.382","0.005","9.247","0.003","90","","106.892","0.004","90","","1383.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F8 K La O8 P4 -","- F8 K La O8 P4 -","- F32 K4 La4 O32 P16 -","4","1","","Zhang, Wenyao; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO<sub>2</sub>F<sub>2</sub>)<sub>4</sub> (A = NH<sub>4</sub> and K) with moderate birefringence and short cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11591","11596","10.1039/d0dt01951h","","","0.71073","MoKα","","0.0369","0.0299","","","0.0576","0.0605","","","","","","1.011","","","","has coordinates,has disorder","256079","2020-10-21","18:00:00",""
"7704932","10.19","0.004","15.511","0.006","9.228","0.004","90","","106.583","0.005","90","","1397.9","1","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- F8 H4 La N O8 P4 -","- F8 H4 La N O8 P4 -","- F32 H16 La4 N4 O32 P16 -","4","1","","Zhang, Wenyao; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO<sub>2</sub>F<sub>2</sub>)<sub>4</sub> (A = NH<sub>4</sub> and K) with moderate birefringence and short cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11591","11596","10.1039/d0dt01951h","","","0.71073","MoKα","","0.0351","0.0288","","","0.076","0.0793","","","","","","1.091","","","","has coordinates","256079","2020-10-21","18:00:00",""
"7704933","17.1022","0.0009","10.7274","0.0005","10.7037","0.0005","90","","90","","90","","1963.72","0.17","100","","100.03","","","","","","","","","4","P n a 21","P 2c -2n","33","","6-azaspiro[5.5]undecane cadmium dicyanamide","","- C16 H20 Cd N10 -","- C16 H20 Cd N10 -","- C64 H80 Cd4 N40 -","4","1","","Burger, Stefan; Kronawitter, Silva; Boström, Hanna L B; Zaręba, Jan K; Kieslich, Gregor","A new polar perovskite coordination network with azaspiroundecane as A-site cation.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10740","10744","10.1039/d0dt01968b","","","0.71073","MoKα","","0.0175","0.0153","","","0.0355","0.0377","","","","","","1.125","","","","has coordinates","256092","2020-10-21","18:00:00",""
"7704934","14.0464","0.0008","5.0318","0.0003","14.1297","0.0008","90","","92.811","0.003","90","","997.47","0.1","300","2","300","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- Ba F4 O2 W -","- Ba F4 O2 W -","- Ba8 F32 O16 W8 -","8","2","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Smith, Mark D.; Hu, Ming; Yang, Zhonghua; Martin, Corey R.; Morrison, Gregory; Zur Loye, Hans-Conrad","BaWO<sub>2</sub>F<sub>4</sub>: a mixed anion X-ray scintillator with excellent photoluminescence quantum efficiency.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10734","10739","10.1039/d0dt02184a","","","0.71073","MoKα","","0.0393","0.0298","","","0.0657","0.0694","","","","","","1.092","","","","has coordinates","256097","2020-10-21","18:00:00",""
"7704935","18.495","0.005","18.495","0.005","17.89","0.006","90","","90","","90","","6120","3","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H32 Mn N3 O6 -","- C28 H32 Mn N3 O6 -","- C224 H256 Mn8 N24 O48 -","8","1","","Srinivasan, Anandi; Campos, Jesús; Giraud, Nicolas; Robert, Marc; Rivada-Wheelaghan, Orestes","Mn<sup>I</sup> complex redox potential tunability by remote lewis acid interaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16623","16626","10.1039/d0dt02467h","","","0.71073","MoKα","","0.1152","0.0709","","","0.1593","0.1881","","","","","","1.042","","","","has coordinates","260747","2021-01-07","06:17:30",""
"7704936","11.8969","0.0002","14.055","0.0003","24.9163","0.0005","90","","97.173","0.007","90","","4133.67","0.15","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Cl8 N2 O3 Ru -","- C35 H42 Cl8 N2 O3 Ru -","- C140 H168 Cl32 N8 O12 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0395","0.0379","","","0.0988","0.1","","","","","","1.107","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704937","25.8626","0.0005","25.8626","0.0005","10.8856","0.0002","90","","90","","90","","7281.1","0.2","123","","123","","","","","","","","","6","I -4","I -4","82","","","","- C32 H39 Cl5 N2 O Ru -","- C32 H39 Cl5 N2 O Ru -","- C256 H312 Cl40 N16 O8 Ru8 -","8","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0181","0.018","","","0.0483","0.0483","","","","","","1.111","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704938","10.61291","0.00019","15.0273","0.0003","19.3543","0.0004","90","","92.572","0.007","90","","3083.58","0.11","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cl2 N2 O3 Ru -","- C32 H38 Cl2 N2 O3 Ru -","- C128 H152 Cl8 N8 O12 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0297","0.0266","","","0.0667","0.068","","","","","","1.132","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704939","11.1473","0.0002","13.3189","0.0002","24.8255","0.0005","90","","96.698","0.007","90","","3660.68","0.12","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl5 N3 O2 Ru -","- C34 H42 Cl5 N3 O2 Ru -","- C136 H168 Cl20 N12 O8 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0474","0.0407","","","0.0914","0.0964","","","","","","1.053","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704940","11.5321","0.0002","14.4899","0.0003","21.9677","0.0004","90","","97.797","0.007","90","","3636.84","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl5 N3 O2 Ru -","- C33 H40 Cl5 N3 O2 Ru -","- C132 H160 Cl20 N12 O8 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0307","0.0292","","","0.0735","0.0745","","","","","","1.09","","","","has coordinates,has disorder","256076","2020-10-21","18:00:00",""
"7704941","14.2563","0.0007","14.5337","0.0008","16.3077","0.0009","74.841","0.002","89.676","0.002","61.641","0.002","2841.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 F4 Gd N5 O15 S -","- C50 H66 F4 Gd N5 O15 S -","- C100 H132 F8 Gd2 N10 O30 S2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0425","0.0376","","","0.103","0.1075","","","","","","1.052","","","","has coordinates","260782","2021-01-07","06:29:40",""
"7704942","14.0412","0.0006","26.3866","0.0011","16.2993","0.0006","90","","90.57","0.003","90","","6038.6","0.4","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 Cl4 Eu N5 O16 S -","- C50 H68 Cl4 Eu N5 O16 S -","- C200 H272 Cl16 Eu4 N20 O64 S4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0748","0.0407","","","0.0826","0.1015","","","","","","1.091","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704943","14.259","0.002","14.542","0.002","16.277","0.003","74.901","0.007","89.893","0.007","61.587","0.007","2836.3","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 F4 N5 O15 S Tb -","- C50 H66 F4 N5 O15 S Tb -","- C100 H132 F8 N10 O30 S2 Tb2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0326","0.0299","","","0.0822","0.0853","","","","","","1.056","","","","has coordinates","260782","2021-01-07","06:29:50",""
"7704944","14.1427","0.0006","26.4518","0.001","16.2848","0.0006","90","","90.531","0.003","90","","6091.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 Gd N5 O16 S -","- C50 H68 Cl4 Gd N5 O16 S -","- C200 H272 Cl16 Gd4 N20 O64 S4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","1.54178","CuKα","","0.0661","0.0477","","","0.1206","0.1319","","","","","","1.022","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704945","14.0648","0.0004","26.3669","0.0008","16.2078","0.0004","90","","90.377","0.003","90","","6010.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 Dy N5 O16 S -","- C50 H68 Cl4 Dy N5 O16 S -","- C200 H272 Cl16 Dy4 N20 O64 S4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0835","0.0478","","","0.0936","0.117","","","","","","1.154","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704946","14.2518","0.001","14.5549","0.0009","16.2386","0.0008","74.932","0.005","89.752","0.005","61.685","0.007","2835.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 Eu F4 N5 O15 S -","- C50 H66 Eu F4 N5 O15 S -","- C100 H132 Eu2 F8 N10 O30 S2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0802","0.053","","","0.1264","0.1488","","","","","","1.079","","","","has coordinates","260782","2021-01-07","06:29:50",""
"7704947","14.0302","0.0002","26.3753","0.0004","16.2526","0.0002","90","","90.374","0.001","90","","6014.16","0.15","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 N5 O16 S Tb -","- C50 H68 Cl4 N5 O16 S Tb -","- C200 H272 Cl16 N20 O64 S4 Tb4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0414","0.0301","","","0.0636","0.0724","","","","","","1.141","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704948","14.2143","0.0005","14.5314","0.0006","16.1788","0.0005","74.941","0.003","89.817","0.003","61.784","0.004","2815.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 Dy F4 N5 O15 S -","- C50 H66 Dy F4 N5 O15 S -","- C100 H132 Dy2 F8 N10 O30 S2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0562","0.0428","","","0.1033","0.1231","","","","","","1.19","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704949","8.1345","0.0003","10.9351","0.0004","13.7618","0.0005","109.328","0.002","104.605","0.002","98.266","0.002","1082.65","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 F12 N6 P2 -","- C14 H18 F12 N6 P2 -","- C28 H36 F24 N12 P4 -","2","1","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.0926","0.0681","","","0.1779","0.2016","","","","","","1.055","","","","has coordinates,has disorder","256113","2020-10-21","18:00:00",""
"7704950","8.986","0.002","16.241","0.004","14.337","0.003","90","","106.984","0.01","90","","2001.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu2 F12 N12 P2 -","- C28 H32 Cu2 F12 N12 P2 -","- C56 H64 Cu4 F24 N24 P4 -","2","0.5","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.1386","0.0931","","","0.2716","0.3103","","","","","","0.916","","","","has coordinates","256113","2020-10-21","18:00:00",""
"7704951","9.5672","0.0004","16.3601","0.0007","14.212","0.0006","90","","108.632","0.002","90","","2107.88","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Ag2 F12 N12 P2 -","- C28 H32 Ag2 F12 N12 P2 -","- C56 H64 Ag4 F24 N24 P4 -","2","0.5","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.0367","0.0283","","","0.0725","0.0781","","","","","","1.038","","","","has coordinates,has disorder","256113","2020-10-21","18:00:00",""
"7704952","18.0475","0.0006","18.9017","0.0007","23.8803","0.0009","77.667","0.001","77.973","0.002","89.973","0.002","7775.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Br2 Ir2 N6 -","- C34 H44 Br2 Ir2 N6 -","- C272 H352 Br16 Ir16 N48 -","8","4","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.1592","0.0586","","","0.1186","0.1504","","","","","","1.013","","","","has coordinates","256113","2020-10-21","18:00:00",""
"7704953","6.458","0.002","8.338","0.003","9.273","0.003","111.512","0.009","103.895","0.011","102.032","0.01","425.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- B3 Ba2 Cd O9 Sc -","- B3 Ba2 Cd O9 Sc -","- B6 Ba4 Cd2 O18 Sc2 -","2","1","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10874","10879","10.1039/d0dt01799j","","","0.71073","MoKα","","0.0167","0.0153","","","0.0382","0.0388","","","","","","1.098","","","","has coordinates","256100","2020-10-21","18:00:00",""
"7704954","12.702","0.002","13.673","0.002","6.421","0.0011","90","","94.932","0.006","90","","1111","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Cd2 O24 Y4 -","- B8 Ba4 Cd2 O24 Y4 -","- B16 Ba8 Cd4 O48 Y8 -","2","0.5","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10874","10879","10.1039/d0dt01799j","","","0.71073","MoKα","","0.0648","0.0483","","","0.1168","0.1235","","","","","","1.1","","","","has coordinates","256100","2020-10-21","18:00:00",""
"7704955","12.8053","0.0012","13.6581","0.0015","6.2287","0.0007","90","","98.634","0.004","90","","1077","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Mg2 O24 Y4 -","- B8 Ba4 Mg2 O24 Y4 -","- B16 Ba8 Mg4 O48 Y8 -","2","0.5","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10874","10879","10.1039/d0dt01799j","","","0.71073","MoKα","","0.057","0.0472","","","0.129","0.1342","","","","","","1.097","","","","has coordinates","256100","2020-10-21","18:00:00",""
"7704956","14.6466","0.0003","33.1024","0.0007","20.4799","0.0004","90","","110.101","0.002","90","","9324.6","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H102 Cl8 Eu2 N4 O13 -","- C95 H102 Cl8 Eu2 N4 O13 -","- C380 H408 Cl32 Eu8 N16 O52 -","4","1","","Ullmann, Steve; Hahn, Peter; Mini, Parvathy; Tuck, Kellie L.; Kahnt, Axel; Abel, Bernd; Gutierrez Suburu, Matias E.; Strassert, Cristian A.; Kersting, Berthold","Mixed-ligand lanthanide complexes supported by ditopic bis(imino-methyl)-phenol/calix[4]arene macrocycles: synthesis, structures, and luminescence properties of [Ln<sub>2</sub>(L<sup>2</sup>)(MeOH)<sub>2</sub>] (Ln = La, Eu, Tb, Yb).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11179","11191","10.1039/d0dt02303e","","","1.54186","CuKα","","0.0714","0.0433","","","0.0995","0.1052","","","","","","0.817","","","","has coordinates","256056","2020-10-21","18:00:00",""
"7704957","14.5534","0.0003","33.1629","0.0006","20.453","0.0004","90","","108.277","0.002","90","","9373.3","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89 H88 N4 O13 Tb2 -","- C89 H88 N4 O13 Tb2 -","- C356 H352 N16 O52 Tb8 -","4","1","","Ullmann, Steve; Hahn, Peter; Mini, Parvathy; Tuck, Kellie L.; Kahnt, Axel; Abel, Bernd; Gutierrez Suburu, Matias E.; Strassert, Cristian A.; Kersting, Berthold","Mixed-ligand lanthanide complexes supported by ditopic bis(imino-methyl)-phenol/calix[4]arene macrocycles: synthesis, structures, and luminescence properties of [Ln<sub>2</sub>(L<sup>2</sup>)(MeOH)<sub>2</sub>] (Ln = La, Eu, Tb, Yb).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11179","11191","10.1039/d0dt02303e","","","1.54186","CuKα","","0.0484","0.0406","","","0.1127","0.1172","","","","","","0.939","","","","has coordinates","256056","2020-10-21","18:00:00",""
"7704958","15.767","0.004","26.561","0.006","7.38","0.002","90","","91.264","0.006","90","","3089.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H59 F N10 O40 Si18 -","- C45 H59 F N10 O40 Si18 -","- C90 H118 F2 N20 O80 Si36 -","2","0.25","","Zi, Wen-Wen; Zhang, Jun; Cai, Xian-Shu; Jiao, Feng; Du, Hong-Bin","Synthesis and characterization of a layered aluminosilicate NUD-11 and its transformation to a 3D stable zeolite.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11682","11688","10.1039/d0dt02449j","","","0.71073","MoKα","","0.1889","0.0923","","","0.2111","0.2606","","","","","","1.018","","","","has coordinates,has disorder","256081","2020-10-21","18:00:00",""
"7704959","9.9663","0.0014","9.9663","0.0014","9.938","0.002","90","","90","","120","","854.9","0.2","293","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au3 La1.82 Mg14.36 -","- Au3 La1.818 Mg14.364 -","- Au6 La3.636 Mg28.728 -","2","0.0833333","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0276","0.0204","","","0.0528","0.0566","","","","","","1.087","","","","has coordinates,has disorder","256103","2020-10-21","18:00:00",""
"7704960","4.527","0.0009","10.633","0.002","8.1096","0.0016","90","","90","","90","","390.36","0.13","293","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au La Mg2 -","- Au La Mg2 -","- Au4 La4 Mg8 -","4","0.25","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0187","0.0178","","","0.0419","0.0422","","","","","","1.058","","","","has coordinates","256103","2020-10-21","18:00:00",""
"7704961","7.7976","0.0011","7.7976","0.0011","4.2547","0.0009","90","","90","","120","","224.04","0.07","293","2","295","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au La Mg -","- Au La Mg -","- Au3 La3 Mg3 -","3","0.25","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0142","0.0139","","","0.0276","0.0278","","","","","","0.962","","","","has coordinates","256103","2020-10-21","18:00:00",""
"7704962","9.8073","0.0004","9.8073","0.0004","10.4276","0.0005","90","","90","","120","","868.59","0.07","293","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au3.25 La3 Mg12.75 -","- Au3.235 La3 Mg12.765 -","- Au6.47 La6 Mg25.53 -","2","0.0833333","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0165","0.0139","","","0.0431","0.0444","","","","","","1.082","","","","has coordinates","256103","2020-10-21","18:00:00",""
"7704963","9.8906","0.0014","10.6441","0.0015","13.108","0.002","86.361","0.005","87.662","0.005","73.88","0.005","1322.6","0.3","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","rd36mn49","","- C18 H15 Au Cl10 N3 Tl -","- C18 H15 Au Cl10 N3 Tl -","- C36 H30 Au2 Cl20 N6 Tl2 -","2","1","","Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Nieddu, Mattia; Olmos, M. Elena","Metallophilic Au(i)M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10983","10993","10.1039/d0dt01902j","","x-ray","0.71073","MoKα","","0.0907","0.0481","","","0.1026","0.1201","","","","","","0.999","","","","has coordinates","256095","2020-10-21","18:00:00",""
"7704964","8.9202","0.0007","11.8246","0.0008","13.9123","0.0011","107.085","0.002","100.045","0.003","106.406","0.002","1291.47","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Ag Au Cl10 N3 -","- C18 H15 Ag Au Cl10 N3 -","- C36 H30 Ag2 Au2 Cl20 N6 -","2","1","","Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Nieddu, Mattia; Olmos, M. Elena","Metallophilic Au(i)M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10983","10993","10.1039/d0dt01902j","","x-ray","0.71073","MoKα","","0.0441","0.0308","","","0.0632","0.0682","","","","","","1.028","","","","has coordinates","256095","2020-10-21","18:00:00",""
"7704965","23.744","0.003","8.6609","0.001","20.843","0.003","90","","109.049","0.005","90","","4051.5","0.9","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Ag Au F10 N3 -","- C18 H15 Ag Au F10 N3 -","- C144 H120 Ag8 Au8 F80 N24 -","8","1","","Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Nieddu, Mattia; Olmos, M. Elena","Metallophilic Au(i)M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10983","10993","10.1039/d0dt01902j","","x-ray","0.71073","MoKα","","0.1195","0.0576","","","0.0705","0.0826","","","","","","1.026","","","","has coordinates","256095","2020-10-21","18:00:00",""
"7704966","13.0352","0.0006","23.0649","0.0012","19.3728","0.0012","90","","102.726","0.002","90","","5681.5","0.5","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H85 Ba N3 O Si2 -","- C57 H85 Ba N3 O Si2 -","- C228 H340 Ba4 N12 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0573","0.0465","","","0.1244","0.1316","","","","","","1.047","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704967","15.3319","0.0012","23.6745","0.0016","16.1784","0.001","90","","98.631","0.003","90","","5805.9","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H79.5 Ca N4 Si2 -","- C52 H76 Ca N4 Si2 -","- C208 H304 Ca4 N16 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0641","0.0466","","","0.1186","0.131","","","","","","1.016","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704968","13.0429","0.0004","22.7081","0.0013","19.0827","0.0007","90","","101.979","0.003","90","","5528.8","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 Ba N4 O Si2 -","- C54 H80 Ba N4 O Si2 -","- C216 H320 Ba4 N16 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0424","0.0338","","","0.078","0.0821","","","","","","1.037","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704969","13.2187","0.0009","26.1942","0.0016","13.5257","0.001","90","","109.095","0.003","90","","4425.6","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H67 Mg N3 -","- C50 H67 Mg N3 -","- C200 H268 Mg4 N12 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.1286","0.0678","","","0.1461","0.1762","","","","","","1.041","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704970","13.4812","0.0004","18.9373","0.0007","22.0367","0.0008","90","","100.342","0.001","90","","5534.5","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H82 Ba N4 O Si2 -","- C54 H82.0008 Ba N4 O Si2 -","- C216 H328.003 Ba4 N16 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0661","0.0511","","","0.1247","0.1334","","","","","","1.058","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704971","13.0735","0.0018","20.434","0.002","25.973","0.003","90","","91.784","0.005","90","","6935.2","1.4","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.15 H100 Ca N3 O1.35 Si3 Sn -","- C59 H93 Ca N3 O Si3 Sn -","- C236 H372 Ca4 N12 O4 Si12 Sn4 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0913","0.0563","","","0.1304","0.1493","","","","","","1.005","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704972","27.1903","0.0005","27.1903","","15.5907","0.0007","90","","90","","90","","11526.4","0.6","150","","150","","","","","","","","synthesis as described","6","I -4","I -4","82","","","","- C62 H78 Ca I N3 O -","- C62 H78 Ca I N3 O -","- C496 H624 Ca8 I8 N24 O8 -","8","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0434","0.0346","","","0.0808","0.0855","","","","","","1.008","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704973","13.1266","0.0012","22.5176","0.0016","19.2806","0.0017","90","","103.089","0.003","90","","5550.9","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H85 Ca N3 O Si2 -","- C57 H85 Ca N3 O Si2 -","- C228 H340 Ca4 N12 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.1078","0.0659","","","0.1434","0.1652","","","","","","0.973","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704974","13.0335","0.0016","22.924","0.003","19.431","0.002","90","","102.726","0.004","90","","5663","1.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H84 Ba N4 O Si2 -","- C56 H84 Ba N4 O Si2 -","- C224 H336 Ba4 N16 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.073","0.0445","","","0.1125","0.1307","","","","","","1.051","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704975","13.044","0.0009","22.7363","0.0015","19.2821","0.0013","90","","103.267","0.003","90","","5565.9","0.7","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H84 N4 O Si2 Sr -","- C56 H84 N4 O Si2 Sr -","- C224 H336 N16 O4 Si8 Sr4 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0598","0.0412","","","0.0961","0.1081","","","","","","0.946","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704976","10.1976","0.0006","15.64","0.0009","19.3361","0.0012","94.2377","0.0013","101.192","0.0013","95.8294","0.0013","2995.8","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H25 Br N Ni O P -","- C19 H25 Br N Ni O P -","- C114 H150 Br6 N6 Ni6 O6 P6 -","6","3","","Segizbayev, Medet; Öztopçu, Özgür; Hayrapetyan, Davit; Shakhman, Dinmukhamed; Lyssenko, Konstantin A.; Khalimon, Andrey Y.","Transfer hydrogenation of aldehydes and ketones catalyzed using an aminophosphinite POCN<sup>H</sup> pincer complex of Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11950","11957","10.1039/d0dt02264k","","","0.71073","MoKα","","0.0724","0.0401","","","0.086","0.0976","","","","","","0.989","","","","has coordinates","256106","2020-10-21","18:00:00",""
"7704977","14.2411","0.0003","23.1001","0.0005","20.8633","0.0004","90","","100.671","0.0011","90","","6744.7","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H55 B2 F15 N O2 P -","- C71 H55 B2 F15 N O2 P -","- C284 H220 B8 F60 N4 O8 P4 -","4","1","","Lee, Young Hoon; Nam, Eun Bi; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Frustrated Lewis pairs with thermally activated delayed fluorescence properties: activation of formaldehyde.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13198","13201","10.1039/d0dt02507k","","","0.71073","MoKα","","0.09","0.0688","","","0.2045","0.2237","","","","","","1.024","","","","has coordinates,has disorder","258862","2020-11-06","12:22:44",""
"7704978","10.1721","0.0005","12.2241","0.0006","14.7284","0.0007","90.6109","0.0011","103.374","0.0011","99.2242","0.0013","1756.52","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 B2 Cu2 F8 N3 P3 -","- C27 H36 B2 Cu2 F8 N3 P3 -","- C54 H72 B4 Cu4 F16 N6 P6 -","2","1","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","x-ray","0.71073","MoKα","","0.0428","0.0293","","","0.066","0.0705","","","","","","1.031","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704979","14.598","0.002","17.269","0.002","31.38","0.004","90","","100.502","0.006","90","","7778.2","1.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 B2 Cl2 Cu2 F8 N3 P3 -","- C31 H44 B2 Cl2 Cu2 F8 N3 P3 -","- C248 H352 B16 Cl16 Cu16 F64 N24 P24 -","8","2","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","x-ray","0.71073","MoKα","","0.1178","0.0612","","","0.1414","0.1758","","","","","","1.085","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704980","14.2957","0.0002","14.2957","0.0002","17.8833","0.0002","90","","90","","120","","3165.11","0.07","130","2","130","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C27 H42 Br0.18 Cl1.82 Cu2 N3 O3 P3 -","- C27 H42.0001 Br0.181 Cl1.8189 Cu2 N3 O3.0001 P3 -","- C108 H168 Br0.724 Cl7.2756 Cu8 N12 O12.0004 P12 -","4","0.333333","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","","0.71073","MoKα","","0.0714","0.0449","","","0.1165","0.1304","","","","","","1.026","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704981","9.227","0.0005","14.0796","0.0006","14.6601","0.0005","84.174","0.003","78.867","0.004","76.93","0.004","1816.94","0.14","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H48 Br2 Cu2 N3 O2 P3 -","- C31 H48 Br2 Cu2 N3 O2 P3 -","- C62 H96 Br4 Cu4 N6 O4 P6 -","2","1","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","","0.71073","MoKα","","0.0712","0.0426","","","0.0932","0.1069","","","","","","1.023","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704982","25.0528","0.0018","13.4498","0.001","18.7389","0.0013","90","","94.492","0.003","90","","6294.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Br2 Cu2 N3 P3 -","- C27 H36 Br2 Cu2 N3 P3 -","- C216 H288 Br16 Cu16 N24 P24 -","8","1","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","x-ray","0.71073","MoKα","","0.0736","0.0569","","","0.1549","0.1658","","","","","","1.04","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704983","7.908","0.0003","12.6688","0.0004","14.1413","0.0004","81.825","0.003","85.712","0.003","89.731","0.003","1398.4","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl2 Hg N2 O4 -","- C32 H22 Cl2 Hg N2 O4 -","- C64 H44 Cl4 Hg2 N4 O8 -","2","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0373","0.033","","","0.0834","0.0865","","","","","","1.054","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704984","7.777","0.006","12.712","0.01","14.892","0.012","106.966","0.011","92.424","0.01","96.714","0.008","1394","1.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Cl2 Hg N4 O4 -","- C30 H20 Cl2 Hg N4 O4 -","- C60 H40 Cl4 Hg2 N8 O8 -","2","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","","0.71073","MoKα","","0.0663","0.0593","","","0.1454","0.152","","","","","","1.077","","","","has coordinates,has disorder","256116","2020-10-21","18:00:00",""
"7704985","8.0386","0.0001","12.9412","0.0002","28.5482","0.0004","90","","91.468","0.001","90","","2968.87","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Hg I2 N2 O4 -","- C32 H22 Hg I2 N2 O4 -","- C128 H88 Hg4 I8 N8 O16 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0422","0.0397","","","0.1057","0.1115","","","","","","1.059","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704986","34.7593","0.0004","5.8317","0.0001","13.8588","0.0001","90","","104.152","0.001","90","","2724","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 Hg N2 O4 -","- C32 H22 Cl2 Hg N2 O4 -","- C128 H88 Cl8 Hg4 N8 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.023","0.0225","","","0.0562","0.0565","","","","","","1.097","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704987","17.8352","0.0006","3.9583","0.0002","22.5679","0.0008","90","","96.403","0.003","90","","1583.29","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br2 Hg N O2 -","- C16 H11 Br2 Hg N O2 -","- C64 H44 Br8 Hg4 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0806","0.0767","","","0.1907","0.1966","","","","","","1.092","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704988","7.721","0.0003","12.9046","0.0004","14.8624","0.0005","106.723","0.003","91.422","0.003","97.034","0.003","1404.72","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Br2 Hg N4 O4 -","- C30 H20 Br2 Hg N4 O4 -","- C60 H40 Br4 Hg2 N8 O8 -","2","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0422","0.0384","","","0.0987","0.1026","","","","","","1.009","","","","has coordinates,has disorder","256116","2020-10-21","18:00:00",""
"7704989","20.853","0.0008","4.2703","0.0001","21.8431","0.0009","90","","118.052","0.005","90","","1716.59","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Hg I2 N O2 -","- C16 H11 Hg I2 N O2 -","- C64 H44 Hg4 I8 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0687","0.068","","","0.1671","0.1694","","","","","","1.092","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704990","8.0059","0.0002","12.7359","0.0003","28.1343","0.0008","90","","92.936","0.002","90","","2864.87","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br2 Hg N2 O4 -","- C32 H22 Br2 Hg N2 O4 -","- C128 H88 Br8 Hg4 N8 O16 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0706","0.0638","","","0.1503","0.1534","","","","","","1.148","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704991","34.7132","0.001","5.6591","0.0002","14.4049","0.0006","90","","104.757","0.003","90","","2736.44","0.17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Br2 Hg N4 O4 -","- C30 H20 Br2 Hg N4 O4 -","- C120 H80 Br8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.041","0.0404","","","0.1039","0.1046","","","","","","1.054","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704992","36.26","0.03","5.382","0.003","15.592","0.011","90","","102.81","0.03","90","","2967","4","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Hg I2 N4 O4 -","- C30 H20 Hg I2 N4 O4 -","- C120 H80 Hg4 I8 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","","0.71073","MoKα","","0.1033","0.0812","","","0.1882","0.204","","","","","","1.061","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704993","34.2446","0.0004","5.6617","0.0001","14.1129","0.0002","90","","103.864","0.001","90","","2656.53","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Cl2 Hg N4 O4 -","- C30 H20 Cl2 Hg N4 O4 -","- C120 H80 Cl8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0239","0.0229","","","0.057","0.0575","","","","","","1.097","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704994","10.1415","0.0004","11.3165","0.0005","14.1899","0.0006","81.0109","0.0014","70.7506","0.0013","64.3553","0.0012","1385.85","0.1","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","dichloro-(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-pheno-lato-N,O)-oxo-triphenylphosphine-rhenium(V) acetonitrile solvate (2:1)","dichloro-(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-pheno-lato-N,O)-oxo-triphenylphosphine-rhenium(V) acetonitrile solvate (2:1)","","- C60 H57 Cl4 N3 O6 P2 Re2 -","- C60 H57 Cl4 N3 O6 P2 Re2 -","- C60 H57 Cl4 N3 O6 P2 Re2 -","1","0.5","","Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Isomers in chlorido and alkoxido-substituted oxidorhenium(v) complexes: effects on catalytic epoxidation activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11142","11149","10.1039/d0dt02352c","","","0.71073","MoKα","","0.0175","0.0167","","","0.0443","0.0448","","","","","","1.093","","","","has coordinates,has disorder","256066","2020-10-21","18:00:00",""
"7704995","10.7088","0.0004","10.7534","0.0004","12.8027","0.0005","77.6402","0.0017","87.6176","0.0018","82.1537","0.0018","1426.54","0.09","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitropheno-lato-N,O]-oxo-(triphenylphosphine)-rhenium(V)","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitropheno-lato-N,O]-oxo-(triphenylphosphine)-rhenium(V)","","- C29 H26 Cl2 N2 O5 P Re -","- C29 H26 Cl2 N2 O5 P Re -","- C58 H52 Cl4 N4 O10 P2 Re2 -","2","1","","Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Isomers in chlorido and alkoxido-substituted oxidorhenium(v) complexes: effects on catalytic epoxidation activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11142","11149","10.1039/d0dt02352c","","","0.71073","MoKα","","0.0327","0.0297","","","0.0627","0.0636","","","","","","1.083","","","","has coordinates","256066","2020-10-21","18:00:00",""
"7704996","9.945","0.002","10.196","0.002","14.358","0.003","79.637","0.003","79.537","0.002","69.695","0.002","1331.9","0.5","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-oxo-(triphenylphosphine-P)-rhenium(V)","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-oxo-(triphenylphosphine-P)-rhenium(V)","","- C29 H27 Cl2 N O3 P Re -","- C29 H27 Cl2 N O3 P Re -","- C58 H54 Cl4 N2 O6 P2 Re2 -","2","1","","Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Isomers in chlorido and alkoxido-substituted oxidorhenium(v) complexes: effects on catalytic epoxidation activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11142","11149","10.1039/d0dt02352c","","","0.71073","MoKα","","0.0431","0.0343","","","0.0809","0.0853","","","","","","1.045","","","","has coordinates","256066","2020-10-21","18:00:00",""
"7704997","5.9916","0.0003","18.1389","0.0005","18.0161","0.0008","90","","116.415","0.006","90","","1753.58","0.16","128","20","128","20","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7c","","- C19 H20 B N3 O3 -","- C19 H20 B N3 O3 -","- C76 H80 B4 N12 O12 -","4","1","","Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11361","11374","10.1039/d0dt02177f","","","1.54184","CuKα","","0.043","0.036","","","0.0874","0.0922","","","","","","1.051","","","","has coordinates","256054","2020-10-21","18:00:00",""
"7704998","23.9525","0.0004","17.7651","0.0003","8.47345","0.00016","90","","98.7316","0.0019","90","","3563.82","0.11","116","20","116","20","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","8a","","- C38 H34 B Cl Ir N7 O3 -","- C38 H34 B Cl Ir N7 O3 -","- C152 H136 B4 Cl4 Ir4 N28 O12 -","4","1","","Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11361","11374","10.1039/d0dt02177f","","","1.54184","CuKα","","0.0418","0.0359","","","0.0898","0.0937","","","","","","1.042","","","","has coordinates","256054","2020-10-21","18:00:00",""
"7704999","9.6334","0.0001","14.1556","0.0001","15.3064","0.0001","73.099","0.001","77.242","0.001","77.046","0.001","1918.99","0.03","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","8c","","- C37 H32 B Cl Ir N5 O4 -","- C37 H32 B Cl Ir N5 O4 -","- C74 H64 B2 Cl2 Ir2 N10 O8 -","2","1","","Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11361","11374","10.1039/d0dt02177f","","","1.54184","CuKα","","0.0197","0.0196","","","0.0491","0.0492","","","","","","1.059","","","","has coordinates","256054","2020-10-21","18:00:00",""
"7705000","26.8343","0.0009","26.8343","0.0009","14.8769","0.0005","90","","90","","120","","9277.3","0.5","100","2","100","","","","","","","","","5","P 6/m","-P 6","175","","","","- C325.5 H217.5 N55.5 O55.5 Zn18 -","- C325.5 H214.5 N55.5 O55.5 Zn18 -","- C325.5 H214.5 N55.5 O55.5 Zn18 -","1","0.0833333","","Alanazi, Abdulaziz A.; Wojtas, Lukasz; Mayers, Jacob M.; Miksovska, Jaroslava; Larsen, Randy W.","Framework induced deformation modulates the photophysical properties of ZnTetra(4-pyridyl)porphyrin incorporated within a new metal organic framework, RWLAA-1.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11668","11674","10.1039/d0dt02050h","","","1.54178","CuKα","","0.1112","0.1024","","","0.2904","0.2974","","","","","","1.162","","","","has coordinates,has disorder","256078","2020-10-21","18:00:00",""
"7705001","29.6077","0.0006","12.1976","0.0003","19.6966","0.0004","90","","97.086","0.002","90","","7059","0.3","294","","294","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Cl4 F6 N O4 P Pd S -","- C29 H26 Cl4 F6 N O4 P Pd S -","- C232 H208 Cl32 F48 N8 O32 P8 Pd8 S8 -","8","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.0624","0.0415","","","0.0906","0.1035","","","","","","1.035","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705002","13.2042","0.0004","19.5582","0.0005","14.3252","0.0004","90","","102.932","0.003","90","","3605.66","0.18","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cl3 F3 Fe P2 Pd -","- C40 H28 Cl3 F3 Fe P2 Pd -","- C160 H112 Cl12 F12 Fe4 P8 Pd4 -","4","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","","0.71073","MoKα","","0.0819","0.0452","","","0.088","0.1054","","","","","","1.019","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705003","10.9025","0.0007","13.2759","0.0007","13.466","0.0006","118.557","0.005","100.42","0.005","96.292","0.005","1639.79","0.19","293","2","294","","","","","","","","","9","P -1","-P 1","2","","","","- C31 H30 Cl2 F3 I N O P Pd -","- C31 H30 Cl2 F3 I N O P Pd -","- C62 H60 Cl4 F6 I2 N2 O2 P2 Pd2 -","2","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.086","0.049","","","0.1113","0.1399","","","","","","1.041","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705004","10.3519","0.0004","9.1916","0.0004","46.0458","0.0019","90","","93.94","0.003","90","","4370.9","0.3","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 P2 Pd Sn -","- C46 H56 P2 Pd Sn -","- C184 H224 P8 Pd4 Sn4 -","4","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.1646","0.0973","","","0.17","0.1945","","","","","","1.105","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705005","12.1035","0.0008","13.6408","0.0011","14.2807","0.0009","102.276","0.006","104.322","0.006","114.833","0.007","1934.3","0.3","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C82 H60 Cl10 F6 Fe2 P4 Pd2 -","- C82 H60 Cl10 F6 Fe2 P4 Pd2 -","- C82 H60 Cl10 F6 Fe2 P4 Pd2 -","1","0.5","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.1923","0.0882","","","0.1101","0.1526","","","","","","1.074","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705006","43.4249","0.001","9.8871","0.0002","18.8438","0.0005","90","","97.664","0.002","90","","8018.2","0.3","210.1","0.3","210.1","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl2 F3 O0.75 P2 Pd -","- C43 H35 Cl2 F3 O0.75 P2 Pd -","- C344 H280 Cl16 F24 O6 P16 Pd8 -","8","2","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.1258","0.0754","","","0.1449","0.1687","","","","","","1.096","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705007","9.8047","0.0005","11.4455","0.0005","21.248","0.0009","87.825","0.002","85.279","0.002","81.634","0.002","2350.25","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 P Pt S2 -","- C52 H77 P Pt S2 -","- C104 H154 P2 Pt2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0217","0.018","","","0.0397","0.0407","","","","","","1.026","","","","has coordinates","254791","2020-10-21","18:00:00",""
"7705008","14.4458","0.0003","18.4681","0.0004","19.6025","0.0004","107.001","0.001","108.695","0.001","100.016","0.001","4525.78","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H83 B F24 P Pt S2 -","- C89 H83 B F24 P Pt S2 -","- C178 H166 B2 F48 P2 Pt2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0366","0.0286","","","0.0718","0.0781","","","","","","1.08","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705009","15.1784","0.0006","16.5068","0.0006","21.9412","0.0008","84.293","0.002","72.914","0.002","71.728","0.002","4989.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50.5 H53 B0.5 Cl2 F12 P0.5 Pt0.5 S -","- C50.5 H53 B0.5 Cl2 F12 P0.5 Pt0.5 S -","- C202 H212 B2 Cl8 F48 P2 Pt2 S4 -","4","2","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0701","0.0575","","","0.1466","0.1537","","","","","","1.038","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705010","9.4361","0.0007","34.785","0.003","17.2103","0.0012","90","","91.871","0.002","90","","5646","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H67.5 P Pd S2 -","- C66.5 H67.5 P Pd S2 -","- C266 H270 P4 Pd4 S8 -","4","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0554","0.0398","","","0.0845","0.0905","","","","","","1.069","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705011","9.853","0.0002","31.8471","0.0006","20.0163","0.0004","90","","93.063","0.001","90","","6271.9","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C142 H174 F6 P2 Pt2 S4 -","- C142 H174 F6 P2 Pt2 S4 -","- C284 H348 F12 P4 Pt4 S8 -","2","0.25","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.017","0.0151","","","0.0365","0.0372","","","","","","1.072","","","","has coordinates","254791","2020-10-21","18:00:00",""
"7705012","10.0757","0.0003","16.5651","0.0004","19.5789","0.0006","108.639","0.001","97.825","0.002","105.248","0.001","2899.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65.5 H85 P Pd S2 -","- C65.5 H85 P Pd S2 -","- C131 H170 P2 Pd2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0474","0.0304","","","0.0719","0.0859","","","","","","1.073","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705013","27.474","0.001","29.3018","0.001","10.854","0.0004","90","","90","","90","","8737.9","0.5","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 S2 -","- C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 S2 -","- C256 H324 F24 N4 O16 P4 Pt4 S16 -","8","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0736","0.0512","","","0.1382","0.1498","","","","","","1.039","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705014","11.4924","0.0003","13.2351","0.0004","15.96","0.0005","106.179","0.002","94.527","0.002","99.208","0.002","2281.76","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H59 P Pt S2 -","- C52 H59 P Pt S2 -","- C104 H118 P2 Pt2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0528","0.0347","","","0.0548","0.0591","","","","","","1.095","","","","has coordinates","254791","2020-10-21","18:00:00",""
"7705015","15.9777","0.0003","17.5645","0.0003","19.4418","0.0003","111.628","0.001","102.163","0.001","92.678","0.001","4911.5","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H93 B F24 P Pd S2 -","- C94 H93 B F24 P Pd S2 -","- C188 H186 B2 F48 P2 Pd2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0735","0.0467","","","0.1113","0.1243","","","","","","1.028","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705016","14.6292","0.0003","18.101","0.0003","15.3035","0.0003","90","","103.274","0.002","90","","3944.15","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H31 N6 O14 V2 -","- C30 H31 N6 O14 V2 -","- C120 H124 N24 O56 V8 -","4","0.5","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.0494","0.047","","","0.1221","0.1265","","","","","","1.062","","","","has coordinates","256114","2020-10-21","18:00:00",""
"7705017","12.6935","0.0003","10.8889","0.0002","17.1563","0.0004","90","","112.342","0.003","90","","2193.3","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H30 N9 O10 V -","- C13 H30 N9 O10 V -","- C52 H120 N36 O40 V4 -","4","0.5","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.1126","0.1142","","","","","","1.084","","","","has coordinates","256114","2020-10-21","18:00:00",""
"7705018","21.4251","0.0006","15.6225","0.0004","13.7562","0.0003","90","","96.682","0.002","90","","4573.1","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H24 N12 O8 V2 -","- C52 H24 N12 O8 V2 -","- C208 H96 N48 O32 V8 -","4","0.5","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.1052","0.0872","","","0.2574","0.3036","","","","","","1.103","","","","has coordinates,has disorder","256114","2020-10-21","18:00:00",""
"7705019","13.8138","0.0006","5.1262","0.0002","17.0635","0.0007","90","","112.374","0.005","90","","1117.34","0.09","100","0.1","100","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C6 H16 N4 O5.5 V -","- C6 H16 N4 O5.5 V -","- C24 H64 N16 O22 V4 -","4","1","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.0471","0.04","","","0.1048","0.1165","","","","","","1.115","","","","has coordinates","256114","2020-10-21","18:00:00",""
"7705020","25.434","0.0018","14.4471","0.001","25.2689","0.0017","90","","97.579","0.002","90","","9203.9","1.1","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 B Cu F4 N2 O6 P2 -","- C46 H48 B Cu F4 N2 O6 P2 -","- C368 H384 B8 Cu8 F32 N16 O48 P16 -","8","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0668","0.0453","","","0.1134","0.1295","","","","","","1.036","","","","has coordinates,has disorder","257553","2020-10-21","18:00:00",""
"7705021","10.1481","0.0006","15.2715","0.0008","24.6619","0.0013","90","","90.862","0.003","90","","3821.6","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 B Cu F4 N O P2 -","- C43 H37 B Cu F4 N O P2 -","- C172 H148 B4 Cu4 F16 N4 O4 P8 -","4","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0759","0.0442","","","0.0957","0.1072","","","","","","1.023","","","","has coordinates","257553","2020-10-21","18:00:00",""
"7705022","11.3647","0.0007","14.0498","0.0009","16.4417","0.001","104.108","0.003","108.859","0.003","99.858","0.003","2318.3","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H49 B Cu F4 N O7 P2 -","- C49 H49 B Cu F4 N O7 P2 -","- C98 H98 B2 Cu2 F8 N2 O14 P4 -","2","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0738","0.0559","","","0.1613","0.1766","","","","","","0.997","","","","has coordinates","257553","2020-10-21","18:00:00",""
"7705023","12.2108","0.0009","12.8588","0.001","13.1631","0.0009","67.715","0.003","70.662","0.003","83.733","0.003","1804.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H33 B Cu F4 N O P2 -","- C38 H33 B Cu F4 N O P2 -","- C76 H66 B2 Cu2 F8 N2 O2 P4 -","2","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0656","0.0518","","","0.1586","0.1717","","","","","","0.988","","","","has coordinates,has disorder","257553","2020-10-21","18:00:00",""
"7705024","11.2004","0.0006","12.8118","0.0007","16.8513","0.001","79.448","0.003","81.661","0.003","66.911","0.003","2179.6","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H41 B Cu F4 N O P2 -","- C52 H41 B Cu F4 N O P2 -","- C104 H82 B2 Cu2 F8 N2 O2 P4 -","2","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0564","0.0481","","","0.1408","0.1486","","","","","","1.005","","","","has coordinates,has disorder","257553","2020-10-21","18:00:00",""
"7705025","20.887","0.004","22.592","0.005","33.244","0.007","90","0.03","90","0.03","90","0.03","15687","6","120","2","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","SCIF-2","","- C47 H87 In10 N13 S17 -","- C47 H87 In10 N13 S17 -","- C376 H696 In80 N104 S136 -","8","1","","Liu, Xiaoshuang; Xue, Chaozhuang; Wang, Xiang; Zhang, Jiaxu; Wu, Tao","Controllable incorporation of 1,2,4-triazolate into cluster-based metal-chalcogenide frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11489","11492","10.1039/d0dt02492a","","","0.71073","MoKα","","0.0323","0.0274","","","0.0504","0.0517","","","","","","1.15","","","","has coordinates","256073","2020-10-21","18:00:00",""
"7705026","14.434","0.005","17.95","0.007","26.051","0.009","90","","93.072","0.008","90","","6740","4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H60 Cl2 Dy2 N12 O15 -","- C53 H60 Cl2 Dy2 N12 O15 -","- C212 H240 Cl8 Dy8 N48 O60 -","4","1","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0887","0.0657","","","0.1855","0.2011","","","","","","1.031","","","","has coordinates","257565","2020-10-21","18:00:00",""
"7705027","14.0961","0.0009","18.9669","0.0012","26.3438","0.0018","90","","104.921","0.001","90","","6805.8","0.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H70 Cl2 Dy2 N12 O24 -","- C57 H70 Cl2 Dy2 N12 O24 -","- C228 H280 Cl8 Dy8 N48 O96 -","4","1","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0729","0.0582","","","0.1517","0.1595","","","","","","1.107","","","","has coordinates","257565","2020-10-21","18:00:00",""
"7705028","14.515","0.003","18.063","0.004","27.276","0.007","90","","92.25","0.005","90","","7146","3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 Dy2 N14 O21 -","- C55 H63 Dy2 N14 O21 -","- C220 H252 Dy8 N56 O84 -","4","1","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0932","0.0586","","","0.1368","0.1544","","","","","","0.995","","","","has coordinates","257565","2020-10-21","18:00:00",""
"7705029","15.7602","0.0013","18.2693","0.0015","24.804","0.002","95.967","0.001","100.081","0.002","90.964","0.001","6988.9","1","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C120 H133 Cl2 Dy4 F12 N24 O39 S4 -","- C120 H133 Cl2 Dy4 F12 N24 O39 S4 -","- C240 H266 Cl4 Dy8 F24 N48 O78 S8 -","2","1","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0479","0.04","","","0.1099","0.1168","","","","","","1.027","","","","has coordinates","257565","2020-10-21","18:00:00",""
"7705030","23.3074","0.0003","23.7367","0.0002","24.8704","0.0003","90","","111.768","0.001","90","","12778.2","0.3","154.4","0.8","154.4","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H145 Mg2 N5 O0.25 -","- C148 H123.522 Mg2 N4 O0.478 -","- C592 H494.088 Mg8 N16 O1.912 -","4","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.0693","0.0538","","","0.1404","0.1527","","","","","","1.041","","","","has coordinates,has disorder","256067","2020-10-21","18:00:00",""
"7705031","13.5273","0.0002","13.5524","0.0002","28.3251","0.0004","95.585","0.001","97.138","0.001","112.921","0.002","4684.98","0.14","149.95","0.1","149.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C106 H103.39 Mg2 N4 O0.61 -","- C106 H103.372 Mg2 N4 O0.628 -","- C212 H206.744 Mg4 N8 O1.256 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.0472","0.0436","","","0.1126","0.1157","","","","","","1.039","","","","has coordinates,has disorder","256067","2020-10-21","18:00:00",""
"7705032","12.3496","0.0003","12.7732","0.0003","19.207","0.0004","97.5417","0.0018","99.133","0.002","116.233","0.003","2612.97","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H69 Mg N3 Si2 -","- C59 H69 Mg N3 Si2 -","- C118 H138 Mg2 N6 Si4 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.045","0.0385","","","0.1285","0.1381","","","","","","1.101","","","","has coordinates","256067","2020-10-21","18:00:00",""
"7705033","15.613","0.0003","17.0913","0.0003","17.1689","0.0003","84.511","0.002","69.542","0.002","64.578","0.002","3868.84","0.15","150.41","0.14","150.41","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C87 H87 Mg N3 Si2 -","- C87 H87 Mg N3 Si2 -","- C174 H174 Mg2 N6 Si4 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.0486","0.0413","","","0.1067","0.1124","","","","","","1.033","","","","has coordinates","256067","2020-10-21","18:00:00",""
"7705034","15.379","0.0004","17.8137","0.0005","23.3393","0.0005","88.579","0.002","74.671","0.002","79.266","0.002","6056.6","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C134 H124 Mg2 N4 -","- C134 H124 Mg2 N4 -","- C268 H248 Mg4 N8 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.054","0.0451","","","0.1209","0.1297","","","","","","1.022","","","","has coordinates","256067","2020-10-21","18:00:00",""
"7705035","7.9099","0.0003","10.7385","0.0005","16.0383","0.0007","106.89","0.002","91.817","0.001","96.869","0.002","1291.01","0.1","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl N4 O2 Zn -","- C30 H23 Cl N4 O2 Zn -","- C60 H46 Cl2 N8 O4 Zn2 -","2","1","","Yu, Chengfeng; Wang, Xiaoling; Wu, Ting; Gu, Xiangwei; Huang, Wei; Kirillov, Alexander M.; Wu, Dayu","Color tuning of intrinsic white-light emission in anthracene-linker coordination networks.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12082","12087","10.1039/d0dt02033h","","","0.71073","MoKα","","0.0527","0.0338","","","0.0665","0.079","","","","","","1.0955","","","","has coordinates","256120","2020-10-21","18:00:00",""
"7705036","24.581","0.002","5.2005","0.0005","16.5073","0.0017","90","","97.638","0.004","90","","2091.5","0.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O4 Zn -","- C24 H20 N4 O4 Zn -","- C96 H80 N16 O16 Zn4 -","4","0.5","","Yu, Chengfeng; Wang, Xiaoling; Wu, Ting; Gu, Xiangwei; Huang, Wei; Kirillov, Alexander M.; Wu, Dayu","Color tuning of intrinsic white-light emission in anthracene-linker coordination networks.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12082","12087","10.1039/d0dt02033h","","","0.71073","MoKα","","0.0622","0.0377","","","0.0897","0.1059","","","","","","1.0699","","","","has coordinates","256120","2020-10-21","18:00:00",""
"7705037","20.745","0.003","17.732","0.002","28.218","0.004","90","","108.601","0.0018","90","","9838","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(TPP)Zr(XbicH2).7(THF)","Tetraphenylporphyrin-(9,9-dimethylxanthene-4,5-bis(iminium)bis(4,6-ditertbutylcatecholato))zirconium(IV) hepta-tetrahydrofuran solvate","","- C117 H138 N6 O12 Zr -","- C117 H138 N6 O12 Zr -","- C468 H552 N24 O48 Zr4 -","4","1","","Do, Thomas H.; Brown, Seth N.","Synthesis, dynamics and redox properties of eight-coordinate zirconium catecholate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11648","11656","10.1039/d0dt02487b","","","0.71073","MoKα","","0.0639","0.0469","","","0.1024","0.1093","","","","","","1.041","","","","has coordinates,has disorder","256071","2020-10-21","18:00:00",""
"7705038","35.0034","0.0017","15.2378","0.0007","24.6829","0.0012","90","","133.956","0.0012","90","","9477.3","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(XbicH2)2Zr . 3 CHCl3 . C6H14","Bis(9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butylcatecholatoaldiminium))zirconium(IV) tri-chloroform mono-hexane solvate","","- C99 H125 Cl9 N4 O10 Zr -","- C92 H110 Cl6 N4 O10 Zr -","- C368 H440 Cl24 N16 O40 Zr4 -","4","0.5","","Do, Thomas H.; Brown, Seth N.","Synthesis, dynamics and redox properties of eight-coordinate zirconium catecholate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11648","11656","10.1039/d0dt02487b","","","0.71073","MoKα","","0.0504","0.0406","","","0.1077","0.1151","","","","","","1.051","","","","has coordinates","256071","2020-10-21","18:00:00",""
"7705039","8.16902","0.00031","11.55156","0.00034","13.9869","0.00052","113.099","0.0026","102.331","0.0039","90.4878","0.0047","1179.78","0.08","298","","298","","","","","","","","","3","P -1","-P 1","2","","Ce-MIL-140-BDC","","- C16 Ce2 O10 -","- C16 Ce2 O13.664 -","- C32 Ce4 O27.328 -","2","1","","Jacobsen, Jannick; Wegner, Lasse; Reinsch, Helge; Stock, Norbert","Ce-MIL-140: expanding the synthesis routes for cerium(iv) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11396","11402","10.1039/d0dt02455d","powder diffraction","x-ray","1.5046","CuKα","","","","","","","","","0.0258","1.999","","","","","","","has coordinates","256052","2020-10-21","18:00:00",""
"7705040","15.002","0.0004","17.0336","0.0004","19.9857","0.0004","90","","111.308","0.004","90","","4758","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 B F15 N2 Se -","- C52 H44 B F15 N2 Se -","- C208 H176 B4 F60 N8 Se4 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.71073","MoKα","","0.095","0.0537","","","0.1255","0.1437","","","","","","1.018","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705041","12.56245","0.00006","26.01067","0.00013","29.40849","0.00013","90","","90","","90","","9609.45","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C102 H89 B2 Cl F30 N4 Se2 -","- C102 H89 B2 Cl F30 N4 Se2 -","- C408 H356 B8 Cl4 F120 N16 Se8 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0485","0.0479","","","0.1339","0.1346","","","","","","1.066","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705042","17.063","0.0008","17.131","0.001","19.491","0.001","91.18","0.004","90.88","0.004","119.76","0.006","4942.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H106 B2 F30 N4 O S2 -","- C106 H106 B2 F30 N4 O S2 -","- C212 H212 B4 F60 N8 O2 S4 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.7107","MoKα","","0.0976","0.0821","","","0.2221","0.2285","","","","","","1.04","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705043","11.08186","0.00004","13.56275","0.00005","15.675","0.00004","101.749","0.0002","108.106","0.0003","95.1486","0.0003","2162.54","0.013","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H70 B2 F30 N4 Se2 -","- C90 H70 B2 F30 N4 Se2 -","- C90 H70 B2 F30 N4 Se2 -","1","0.5","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0355","0.0352","","","0.0861","0.0862","","","","","","1.03","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705044","13.18","0.0004","14.511","0.0004","16.99","0.0004","100.74","0.002","103.21","0.002","92.73","0.002","3094.17","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H71 B F15 Li N2 O4 Te -","- C61 H71 B F15 Li N2 O4 Te -","- C122 H142 B2 F30 Li2 N4 O8 Te2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.5418","CuKα","","0.0436","0.0431","","","0.1179","0.1184","","","","","","1.049","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705045","10.7183","0.0001","26.7113","0.0002","25.5331","0.0003","90","","119.908","0.001","90","","6336.61","0.12","101","2","101","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H75 B F15 Li N2 O5 S -","- C65 H75 B F15 Li N2 O5 S -","- C260 H300 B4 F60 Li4 N8 O20 S4 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0592","0.0497","","","0.1297","0.1381","","","","","","1.02","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705046","12.667","0.0004","14.616","0.0004","16.78","0.0004","94.15","0.002","90.65","0.002","113","0.002","2849.54","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H65 B F15 Li N2 O3 Se -","- C57 H65 B F15 Li N2 O3 Se -","- C114 H130 B2 F30 Li2 N4 O6 Se2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.7107","MoKα","","0.0808","0.0623","","","0.154","0.1671","","","","","","1.034","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705047","10.5249","0.0006","12.2429","0.0009","18.93","0.0009","73.171","0.006","74.186","0.006","65.396","0.008","2090.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 B F15 N2 S -","- C45 H36 B F15 N2 S -","- C90 H72 B2 F30 N4 S2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0787","0.0542","","","0.1376","0.1517","","","","","","1.052","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705048","10.6547","0.0002","36.0847","0.0004","14.6984","0.0002","90","","109.136","0.002","90","","5338.86","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 B F15 Li N2 O4 -","- C57 H59 B F15 Li N2 O4 -","- C228 H236 B4 F60 Li4 N8 O16 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0464","0.0438","","","0.1159","0.1177","","","","","","1.048","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705049","10.2374","0.0002","11.4752","0.0002","20.0948","0.0004","88.932","0.002","85.317","0.002","81.974","0.002","2329.67","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 B F15 N2 O -","- C52 H44 B F15 N2 O -","- C104 H88 B2 F30 N4 O2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.71073","MoKα","","0.0518","0.0467","","","0.1268","0.1308","","","","","","1.025","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705050","10.3854","0.0002","10.9362","0.0002","18.6719","0.0004","73.147","0.002","78.248","0.002","69.152","0.002","1884.72","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H59 Li N2 O3 S -","- C39 H59 Li N2 O3 S -","- C78 H118 Li2 N4 O6 S2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.71073","MoKα","","0.0432","0.0374","","","0.0976","0.1006","","","","","","1.054","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705051","23.373","0.005","13.307","0.003","20.286","0.004","90","","96.19","0.03","90","","6273","2","293","2","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 N3 P3 Sc -","- C66 H75 N3 P3 Sc -","- C264 H300 N12 P12 Sc4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71076","MoKα","","0.0679","0.0639","","","0.1681","0.1728","","","","","","1.039","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705052","12.007","0.002","9.309","0.002","20.761","0.004","90","","102.63","0.03","90","","2264.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N P -","- C28 H30 N P -","- C112 H120 N4 P4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","x-ray","0.71076","MoKα","","0.0654","0.0437","","","0.1169","0.1342","","","","","","1.01","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705053","23.6419","0.0017","13.4745","0.001","20.3693","0.0019","90","","96.253","0.004","90","","6450.3","0.9","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 Lu N3 P3 -","- C66 H75 Lu N3 P3 -","- C264 H300 Lu4 N12 P12 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.067","0.0647","","","0.1458","0.1476","","","","","","1.104","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705054","19.7393","0.0019","16.2623","0.0016","22.283","0.002","90","","90","","90","","7153","1.2","293","2","293.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 N3 P4 Pd Yb -","- C84 H90 N3 P4 Pd Yb -","- C336 H360 N12 P16 Pd4 Yb4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0491","0.0331","","","0.0693","0.0751","","","","","","1.02","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705055","11.3117","0.0005","13.185","0.0006","23.763","0.0012","105.848","0.002","95.818","0.002","104.347","0.002","3248.3","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 N3 P3 Pd -","- C66 H78 N3 P3 Pd -","- C132 H156 N6 P6 Pd2 -","2","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0951","0.0583","","","0.1325","0.1539","","","","","","1.013","","","","has coordinates,has disorder","257557","2020-10-21","18:00:00",""
"7705056","19.6769","0.001","16.1787","0.0008","22.2319","0.0011","90","","90","","90","","7077.5","0.6","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 N3 P4 Pd Sc -","- C84 H90 N3 P4 Pd Sc -","- C336 H360 N12 P16 Pd4 Sc4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.1041","0.0879","","","0.1556","0.1644","","","","","","1.166","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705057","19.719","0.0013","16.2376","0.001","22.2512","0.0014","90","","90","","90","","7124.6","0.8","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 Lu N3 P4 Pd -","- C84 H90 Lu N3 P4 Pd -","- C336 H360 Lu4 N12 P16 Pd4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0789","0.0625","","","0.1228","0.1351","","","","","","1.052","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705058","23.614","0.005","13.421","0.003","20.275","0.004","90","","96.22","0.03","90","","6388","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 N3 P3 Yb -","- C66 H75 N3 P3 Yb -","- C264 H300 N12 P12 Yb4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71076","MoKα","","0.0427","0.0421","","","0.1044","0.1047","","","","","","1.114","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705059","15.7099","0.0007","16.2124","0.0008","20.5395","0.0011","90.746","0.002","97.105","0.002","92.274","0.002","5186.2","0.4","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H100 N3 O P4 Pd Y -","- C98 H100 N3 O P4 Pd Y -","- C196 H200 N6 O2 P8 Pd2 Y2 -","2","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","x-ray","0.71073","MoKα","","0.1203","0.0652","","","0.1768","0.2089","","","","","","1.04","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705060","22.862","0.005","9.491","0.002","26.992","0.005","90","","90","","90","","5857","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H36 N P -","- C31 H36 N P -","- C248 H288 N8 P8 -","8","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","x-ray","0.71076","MoKα","","0.1496","0.0941","","","0.1924","0.2233","","","","","","1.028","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705061","13.746","0.0007","14.8611","0.0008","20.7806","0.0012","101.234","0.002","95.789","0.002","105.159","0.002","3966.9","0.4","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H85 N3 O P3 Pd Sc -","- C80 H85 N3 O P3 Pd Sc -","- C160 H170 N6 O2 P6 Pd2 Sc2 -","2","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0893","0.0556","","","0.138","0.1594","","","","","","1.048","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705062","9.4465","0.0003","9.4465","0.0003","9.4465","0.0003","90","","90","","90","","842.97","0.05","100","","100","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ir K O3 -","- Ir K1.00067 O3 -","- Ir12 K12.008 O36 -","12","0.25","","Guo, Shu; Powderly, Kelly M.; Cava, R. J.","Synthesis, structure, and magnetism of BCC KIrO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12018","12024","10.1039/d0dt01836h","","","0.71073","MoKα","","0.0132","0.0125","","","0.0296","0.0297","","","","","","1.293","","","","has coordinates,has disorder","256107","2020-10-21","18:00:00",""
"7705063","11.656","0.001","7.3664","0.0006","24.205","0.002","90","","103.522","0.002","90","","2020.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Ag3 N2 O3 S2 -","- C13 H23 Ag3 N2 O3 S2 -","- C52 H92 Ag12 N8 O12 S8 -","4","1","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0308","0.0259","","","0.0637","0.0667","","","","","","1.083","","","","has coordinates","257537","2020-10-21","18:00:00",""
"7705064","12.36","0.06","13.39","0.06","14.98","0.07","70.25","0.13","82.72","0.12","89.18","0.14","2313","19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H94 Ag10 F12 N9 O8 S6 -","- C77 H94 Ag10 F12 N9 O8 S6 -","- C77 H94 Ag10 F12 N9 O8 S6 -","1","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.073","0.0534","","","0.1106","0.1268","","","","","","1.183","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705065","24.5159","0.0007","24.5159","0.0007","11.1964","0.0006","90","","90","","120","","5827.8","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H78 Ag12 N18 O18 S6 -","- C48 H78 Ag12 N18 O18 S6 -","- C144 H234 Ag36 N54 O54 S18 -","3","0.166667","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0154","0.0144","","","0.0366","0.0369","","","","","","1.124","","","","has coordinates","257537","2020-10-21","18:00:00",""
"7705066","13.9007","0.001","20.519","0.0016","17.56","0.0013","90","","107.023","0.002","90","","4789.2","0.6","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H82 Ag12 F18 N8 O12 S6 -","- C70 H82 Ag12 F18 N8 O12 S6 -","- C140 H164 Ag24 F36 N16 O24 S12 -","2","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0463","0.039","","","0.0807","0.086","","","","","","1.17","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705067","22.4694","0.001","22.3474","0.0008","17.3851","0.0007","90","","92.603","0.001","90","","8720.6","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Ag12 N14 O20 S6 -","- C58 H82 Ag12 N14 O20 S6 -","- C232 H328 Ag48 N56 O80 S24 -","4","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0513","0.0346","","","0.0701","0.0771","","","","","","1.069","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705068","20.8642","0.0016","22.8925","0.0018","27.241","0.002","90","","93.205","0.002","90","","12990.9","1.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C164 H260 Ag50 B4 F16 N16 O6 S33 -","- C164 H260 Ag50 B4 F16 N16 O6 S33 -","- C328 H520 Ag100 B8 F32 N32 O12 S66 -","2","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0563","0.041","","","0.0862","0.0978","","","","","","1.129","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705069","9.7898","0.0006","13.7846","0.0009","27.4465","0.0018","102.725","0.002","90.442","0.002","110.737","0.002","3363.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H41 Bi4 Cl8 N11 O8 -","- C64 H41 Bi4 Cl8 N11 O8 -","- C128 H82 Bi8 Cl16 N22 O16 -","2","1","","Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.","Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11756","11771","10.1039/d0dt02360d","","","0.71073","MoKα","","0.0425","0.027","","","0.0589","0.0627","","","","","","1.076","","","","has coordinates","256075","2020-10-21","18:00:00",""
"7705070","9.6115","0.0003","31.7985","0.001","7.5977","0.0002","90","","109.328","0.001","90","","2191.22","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Bi Cl3 N4 -","- C24 H16 Bi Cl3 N4 -","- C96 H64 Bi4 Cl12 N16 -","4","1","","Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.","Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11756","11771","10.1039/d0dt02360d","","","0.71073","MoKα","","0.0173","0.0152","","","0.0313","0.0317","","","","","","1.168","","","","has coordinates","256075","2020-10-21","18:00:00",""
"7705071","12.7368","0.0006","9.4838","0.0004","13.6313","0.0006","90","","102.088","0.001","90","","1610.06","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Bi2 Cl6 N6 -","- C30 H22 Bi2 Cl6 N6 -","- C60 H44 Bi4 Cl12 N12 -","2","0.5","","Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.","Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11756","11771","10.1039/d0dt02360d","","","0.71073","MoKα","","0.0279","0.0247","","","0.0619","0.0635","","","","","","1.099","","","","has coordinates","256075","2020-10-21","18:00:00",""
"7705072","10.3807","0.0004","10.4296","0.0004","11.1541","0.0004","90","","90","","90","","1207.62","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.0289","0.026","","","0.0722","0.074","","","","","","1.043","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705073","12.8301","0.0009","16.4771","0.0011","37.538","0.003","90","","90","","90","","7935.6","1","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C32 H28 Cl8 N6 O4 Zn -","- C32 H28 Cl8 N6 O4 Zn -","- C256 H224 Cl64 N48 O32 Zn8 -","8","0.25","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.1575","0.0783","","","0.1904","0.2155","","","","","","1.147","","","","has coordinates,has disorder","257551","2020-10-21","18:00:00",""
"7705074","31.092","0.003","17.2866","0.0016","9.3852","0.0009","90","","92.426","0.006","90","","5039.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56.5 H42 Cl N12 O4 Zn2 -","- C56.5 H42 Cl N12 O4 Zn2 -","- C226 H168 Cl4 N48 O16 Zn8 -","4","0.5","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.2148","0.0703","","","0.1489","0.1806","","","","","","0.893","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705075","16.0485","0.0005","8.2154","0.0002","22.2672","0.0006","90","","90","","90","","2935.82","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C112 H136 N24 O40 -","8","1","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.1417","0.0793","","","0.1896","0.209","","","","","","1.046","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705076","30.8691","0.0006","30.8691","0.0006","14.8152","0.0004","90","","90","","120","","12226","0.5","150","2","150","2","","","","","","","","7","R 3 m :H","R 3 -2""","160","","","","- C6 H121 Na17 O162 Sb3 Tb3 W28 -","- C6 Na9 O154 Sb3 Tb3 W28 -","- C18 Na27 O462 Sb9 Tb9 W84 -","3","0.166667","","Xu, Xin; Lu, Changtong; Xie, Saisai; Chen, Lijuan; Zhao, Junwei","A trimeric tri-Tb<sup>3+</sup> including antimonotungstate and its Eu<sup>3+</sup>/Tb<sup>3+</sup>/Dy<sup>3+</sup>/Gd<sup>3+</sup>-codoped species with luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12401","12410","10.1039/d0dt01985b","","","0.71073","MoKα","","0.0627","0.0589","","","0.1556","0.1595","","","","","","1.081","","","","has coordinates","257568","2020-10-21","18:00:00",""
"7705077","19.1551","0.0003","19.1551","0.0003","19.1551","0.0003","90","","90","","90","","7028.35","0.19","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C112 H86 Cl3 Mn10 N86 O27 -","- C103.006 H86.0016 Cl3 Mn10 N79.0056 O24 -","- C103.006 H86.0016 Cl3 Mn10 N79.0056 O24 -","1","0.0208333","","Wang, Jun; Deng, Shu-Qi; Zhao, Ting-Ting; Zheng, Sheng-Run; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","A Mn(II)-MOF with inherent missing metal-ion defects based on an imidazole-tetrazole tripodal ligand and its application in supercapacitors.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12150","12155","10.1039/d0dt01666g","","","0.71073","MoKα","","0.079","0.0639","","","0.1899","0.2022","","","","","","1.073","","","","has coordinates,has disorder","257558","2020-10-21","18:00:00",""
"7705078","11.504","0.001","10.129","0.001","7.604","0.001","90","","123.29","0.01","90","","740.65","0.16","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","silver(I) p-isocyanobenzoate","silver(I) p-isocyanobenzoate","","- C32 Ag4 N4 O7 -","- C8 Ag N1.114 O1.772 -","- C32 Ag4 N4.456 O7.088 -","4","0.5","","Reguera, Leslie; Cano, Arely; Rodríguez-Hernández, Joelis; Rivera, Daniel G.; Van der Eycken, Erik V.; Ramírez-Rosales, Daniel; Reguera, Edilso","Cu<sup>I</sup>Cu<sup>II</sup> and Ag<sup>I</sup><i>p</i>-isocyanobenzoates as novel 1D semiconducting coordination oligomers.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12432","12440","10.1039/d0dt02461a","powder diffraction","","1.54184","CuKα","","","","","","","","","4.57","2.1","","","","","","","has coordinates","257556","2020-10-21","18:00:00",""
"7705079","9.9233","0.0007","30.274","0.002","8.5537","0.0006","90","","90","","90","","2569.7","0.3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ag K S3 Sn -","- Ag K S3 Sn -","- Ag16 K16 S48 Sn16 -","16","1","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0483","0.0449","","","0.134","0.154","","","","","","1.19","","","","has coordinates","256082","2020-10-21","18:00:00",""
"7705080","6.011","0.002","11.876","0.004","14.133","0.006","90","","90","","90","","1008.9","0.6","273","2","273","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- Ag4 Cs4 S8 Sn2 -","- Ag4 Cs4 S8 Sn2 -","- Ag8 Cs8 S16 Sn4 -","2","0.125","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0747","0.0648","","","0.1546","0.1625","","","","","","1.082","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705081","11.5295","0.0015","26.953","0.004","5.8483","0.0008","90","","90","","90","","1817.4","0.4","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Ag2 K2 S4 Sn -","- Ag2 K2 S4 Sn -","- Ag16 K16 S32 Sn8 -","8","0.5","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0654","0.0613","","","0.2299","0.2396","","","","","","1.222","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705082","11.6787","0.0018","27.526","0.004","5.9472","0.0009","90","","90","","90","","1911.8","0.5","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Ag8 Rb8 S16 Sn4 -","- Ag8 Rb8 S16 Sn4 -","- Ag16 Rb16 S32 Sn8 -","2","0.125","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0913","0.0799","","","0.183","0.2114","","","","","","1.011","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705083","11.1","0.005","7.819","0.004","11.543","0.006","90","","108.248","0.005","90","","951.4","0.8","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- K2 S5 Sn2 -","- K2 S5 Sn2 -","- K8 S20 Sn8 -","4","0.5","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0553","0.0545","","","0.1488","0.1503","","","","","","1.124","","","","has coordinates","256082","2020-10-21","18:00:00",""
"7705084","12.094","0.003","12.497","0.003","22.902","0.006","83.617","0.01","85.056","0.011","75.959","0.009","3330.8","1.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H82 O4 S4 Sn -","- C75 H82 O4 S4 Sn -","- C150 H164 O8 S8 Sn2 -","2","1","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.1081","0.0851","","","0.1655","0.1827","","","","","","1.098","","","","has coordinates,has disorder","257569","2020-10-21","18:00:00",""
"7705085","13.4391","0.0008","13.7334","0.0007","20.3149","0.001","71.319","0.003","77.604","0.003","77.966","0.003","3429.3","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H208 O8 Pb2 S8 Si4 -","- C131 H208 O8 Pb2 S8 Si4 -","- C131 H208 O8 Pb2 S8 Si4 -","1","0.5","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0309","0.0271","","","0.0674","0.0683","","","","","","1.06","","","","has coordinates,has disorder","257569","2020-10-21","18:00:00",""
"7705086","13.377","0.0012","17.7497","0.0015","25.887","0.002","90","","102.696","0.002","90","","5996.3","0.9","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H86 O4 S4 Si2 Sn -","- C58 H86 O4 S4 Si2 Sn -","- C232 H344 O16 S16 Si8 Sn4 -","4","1","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0445","0.0372","","","0.0856","0.0899","","","","","","1.118","","","","has coordinates","257569","2020-10-21","18:00:00",""
"7705087","22.413","0.003","20.959","0.002","12.5139","0.0014","90","","108.646","0.001","90","","5569.9","1.1","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H66 O4 Pb S4 -","- C61 H66 O4 Pb S4 -","- C244 H264 O16 Pb4 S16 -","4","0.5","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0366","0.0319","","","0.0669","0.0695","","","","","","1.117","","","","has coordinates,has disorder","257569","2020-10-21","18:00:00",""
"7705088","13.51","0.002","15.106","0.002","16.04","0.002","79.593","0.005","81.074","0.004","89.23","0.006","3180.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H96 O5 S4 Si2 -","- C62 H96 O5 S4 Si2 -","- C124 H192 O10 S8 Si4 -","2","1","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0862","0.0598","","","0.1317","0.1488","","","","","","1.083","","","","has coordinates","257569","2020-10-21","18:00:00",""
"7705089","24.4203","0.0005","27.623","0.0004","24.4269","0.0006","90","","111.175","0.002","90","","15364.9","0.6","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C96 H48 Mo24 N16 O108 Si2 Zn8 -","- C96 H48 Mo24 N16 O108 Si2 Zn8 -","- C192 H96 Mo48 N32 O216 Si4 Zn16 -","2","0.25","","You, Ming-Hua; Li, Meng-Hua; Liu, Jing-Yan; Lin, Mei-Jin","Impact of diffusion methods and metal cations on photochromic three-component D-A hybrid heterostructures.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12411","12417","10.1039/d0dt02532a","","x-ray","1.3405","GaKα","","0.1597","0.1352","","","0.3902","0.4139","","","","","","1.602","","","","has coordinates","257563","2020-10-21","18:00:00",""
"7705090","19.8634","0.0012","19.8634","0.0012","39.282","0.009","90","","90","","90","","15499","4","293","2","293","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C48 H24 Cd2 Mo12 N8 O52 Si -","- C48 H24 Cd2 Mo12 N8 O52 Si -","- C192 H96 Cd8 Mo48 N32 O208 Si4 -","4","0.125","","You, Ming-Hua; Li, Meng-Hua; Liu, Jing-Yan; Lin, Mei-Jin","Impact of diffusion methods and metal cations on photochromic three-component D-A hybrid heterostructures.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12411","12417","10.1039/d0dt02532a","","x-ray","0.71073","MoKα","","0.1297","0.0985","","","0.2675","0.2965","","","","","","1.023","","","","has coordinates,has disorder","257563","2020-10-21","18:00:00",""
"7705091","20.9093","0.0017","23.0191","0.0007","23.6904","0.001","90","","99.755","0.005","90","","11237.6","1.1","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C212.67 H266.02 Ca F20 N18 Na2 O17 Ti8 -","- C198.756 H237.268 Ca F20 N11 Na2 O17 Ti8 -","- C397.512 H474.536 Ca2 F40 N22 Na4 O34 Ti16 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.2808","0.1153","","","0.3046","0.3987","","","","","","0.958","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705092","21.02305","0.0001","17.27686","0.00008","29.70228","0.00014","90","","102.551","0.0005","90","","10530.4","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H128 Br4 N8 O10 Ti4 -","- C104 H128 Br4 N8 O10 Ti4 -","- C416 H512 Br16 N32 O40 Ti16 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.0372","0.0357","","","0.0941","0.095","","","","","","1.038","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705093","18.7623","0.0003","19.3331","0.0003","26.9512","0.0003","90","","90","","90","","9776.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C95 H114.5 Cl4 N3.5 O10 Ti4 -","- C95 H114.5 Cl4 N3.5 O10 Ti4 -","- C380 H458 Cl16 N14 O40 Ti16 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.0763","0.0632","","","0.169","0.1803","","","","","","1.018","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705094","12.7071","0.0004","24.5925","0.0004","25.2999","0.0007","104.399","0.002","96.177","0.002","91.761","0.002","7599.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C151 H188.5 Cl6 N9.5 O13 Ti4 -","- C149 H183.5 Cl6 N8.5 O13 Ti4 -","- C298 H367 Cl12 N17 O26 Ti8 -","2","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1957","0.1257","","","0.3231","0.3796","","","","","","1.032","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705095","11.1401","0.0002","15.0059","0.00015","16.5752","0.0003","104.261","0.0012","93.0977","0.0015","98.7122","0.0013","2642.36","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H138 Cl4 N6 O12 Ti4 -","- C108 H138 Cl4 N6 O12 Ti4 -","- C108 H138 Cl4 N6 O12 Ti4 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.0698","0.0665","","","0.1871","0.1904","","","","","","1.045","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705096","16.4524","0.0003","12.3781","0.0002","18.0939","0.0003","90","","90","","90","","3684.81","0.11","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H58 Br2 O2 Ti -","- C36 H58 Br2 O2 Ti -","- C144 H232 Br8 O8 Ti4 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.0291","0.0273","","","0.0677","0.0686","","","","","","1.054","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705097","21.5584","0.0002","26.9199","0.0003","21.6443","0.0002","90","","95.7763","0.0007","90","","12497.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H145.5 Br6 N12.5 O9 Ti3 -","- C106 H127 Br6 N9 O9 Ti3 -","- C424 H508 Br24 N36 O36 Ti12 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1066","0.0907","","","0.2771","0.2932","","","","","","1.04","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705098","24.7656","0.0007","22.6045","0.0005","24.6564","0.0006","90","","90.923","0.002","90","","13801.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C145 H177.5 F6 N6.5 O12 Ti4 -","- C142 H173 F6 N5 O12 Ti4 -","- C568 H692 F24 N20 O48 Ti16 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.1448","0.083","","","0.2023","0.2446","","","","","","1.071","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705099","29.2721","0.0004","9.52188","0.00014","43.6988","0.0006","90","","103.073","0.0013","90","","11864.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99.25 H124.5 Cl14.5 I4 N2 O10 Ti4 -","- C98 H122 Cl12 I4 N2 O10 Ti4 -","- C392 H488 Cl48 I16 N8 O40 Ti16 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1149","0.0986","","","0.2616","0.2746","","","","","","1.042","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705100","23.4034","0.0004","22.4883","0.0003","37.6555","0.0007","90","","100.267","0.002","90","","19500.9","0.6","100","2","100","2","","","","","","","acetonitrile","8","P 1 21/c 1","-P 2ybc","14","","","","- C194 H235 Ca F20 N9 Na2 O16 Ti8 -","- C186 H223 Ca F20 N5 Na2 O16 Ti8 -","- C744 H892 Ca4 F80 N20 Na8 O64 Ti32 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1716","0.0839","","","0.2158","0.2663","","","","","","1.017","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705101","18.0637","0.0002","20.6914","0.0003","31.562","0.0002","103.45","0.0009","97.229","0.0008","99.0055","0.0011","11168.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C212 H268 Cl10 N18 O20 Ti7 -","- C196 H237 Cl10 N10 O20 Ti7 -","- C392 H474 Cl20 N20 O40 Ti14 -","2","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1123","0.0775","","","0.2159","0.2416","","","","","","1.058","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705102","20.3323","0.0002","28.788","0.0003","36.5201","0.0003","96.9496","0.0008","99.4528","0.0009","97.6499","0.0009","20673.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C388 H470 F40 N18 Na8 O32 Ti16 -","- C386 H467 F40 N17 Na1.995 O32 Ti16 -","- C772 H934 F80 N34 Na3.99 O64 Ti32 -","2","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1374","0.0986","","","0.2816","0.3205","","","","","","1.033","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705103","19.2467","0.0007","15.3525","0.0005","23.2322","0.0008","90","","90","","90","","6864.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H104 Cl2 Dy2 N4 O4 -","- C68 H104 Cl2 Dy2 N4 O4 -","- C272 H416 Cl8 Dy8 N16 O16 -","4","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.0295","0.0211","","","0.0451","0.048","","","","","","1.057","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705104","10.1402","0.0006","19.7105","0.001","18.548","0.001","90","","105.411","0.0012","90","","3573.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cl2 Dy N2 O2 -","- C34 H52 Cl2 Dy N2 O2 -","- C136 H208 Cl8 Dy4 N8 O8 -","4","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.0287","0.0224","","","0.0485","0.0509","","","","","","1.022","","","","has coordinates","256117","2020-10-21","18:00:00",""
"7705105","15.3844","0.0006","16.0197","0.0007","15.8221","0.0007","90","","109.781","0.001","90","","3669.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Cl2 Dy2 N4 O4.5 -","- C74 H116 Cl2 Dy2 N4 O4.5 -","- C148 H232 Cl4 Dy4 N8 O9 -","2","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.0429","0.0272","","","0.0559","0.0619","","","","","","1.009","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705106","13.6988","0.0002","17.3825","0.0003","15.4968","0.0003","90","","90.143","0.002","90","","3690.08","0.11","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H55 Cl2 Dy N2 O2 -","- C36 H55 Cl2 Dy N2 O2 -","- C144 H220 Cl8 Dy4 N8 O8 -","4","2","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.035","0.0303","","","0.0688","0.0711","","","","","","1.018","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705107","8.6381","0.0001","13.512","0.0002","10.6681","0.0001","90","","91.223","0.001","90","","1244.88","0.03","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N14 O4 -","- C4 H12 N14 O4 -","- C16 H48 N56 O16 -","4","1","","Chinnam, Ajay Kumar; Yu, Qiong; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Azo- and methylene-bridged mixed azoles for stable and insensitive energetic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11498","11503","10.1039/d0dt02223c","","","1.54178","CuKα","","0.0401","0.0331","","","0.0837","0.0885","","","","","","1.041","","","","has coordinates","256069","2020-10-21","18:00:00",""
"7705108","4.2376","0.0003","7.3733","0.0005","15.1316","0.001","96.429","0.003","94.148","0.003","96.09","0.003","465.46","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C8 H16 N20 O6 -","2","1","","Chinnam, Ajay Kumar; Yu, Qiong; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Azo- and methylene-bridged mixed azoles for stable and insensitive energetic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11498","11503","10.1039/d0dt02223c","","","1.54178","CuKα","","0.042","0.0402","","","0.1059","0.109","","","","","","1.07","","","","has coordinates","256069","2020-10-21","18:00:00",""
"7705109","12.1573","0.0003","16.6275","0.0004","13.0547","0.0004","90","","100.079","0.003","90","","2598.22","0.12","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 S -","- C29 H40 N2 S -","- C116 H160 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0443","0.0359","","","0.09","0.0957","","","","","","1.033","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705110","13.9143","0.0008","9.1573","0.0004","12.6229","0.0007","90","","114.545","0.007","90","","1463.04","0.16","100.16","0.1","100.16","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 S -","- C15 H24 N2 S -","- C60 H96 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0711","0.0438","","","0.0904","0.1026","","","","","","1.065","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705111","9.9301","0.0003","10.516","0.0004","17.0134","0.0004","79.757","0.002","73.61","0.002","74.505","0.003","1632.36","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Au Cl3 N2 Se -","- C30 H42 Au Cl3 N2 Se -","- C60 H84 Au2 Cl6 N4 Se2 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0324","0.027","","","0.0548","0.0574","","","","","","1.025","","","","has coordinates,has disorder","256109","2020-10-21","18:00:00",""
"7705112","10.4151","0.0001","25.5169","0.0002","12.1509","0.0001","90","","110.771","0.001","90","","3019.35","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H80 Cl6 Cu2 N4 Se2 -","- C56 H80 Cl6 Cu2 N4 Se2 -","- C112 H160 Cl12 Cu4 N8 Se4 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0376","0.0348","","","0.0873","0.0897","","","","","","1.042","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705113","9.7146","0.0006","11.1573","0.0007","11.6057","0.0007","62.337","0.006","74.688","0.005","66.627","0.006","1017.76","0.13","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Ag2 Cl2 N4 Se2 -","- C42 H52 Ag2 Cl2 N4 Se2 -","- C42 H52 Ag2 Cl2 N4 Se2 -","1","0.5","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0318","0.0263","","","0.0571","0.0601","","","","","","1.04","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705114","8.5955","0.0002","9.2596","0.0002","19.3041","0.0004","101.611","0.002","94.598","0.002","107.181","0.002","1421.74","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H40 Cl Cu N2 Se -","- C29 H40 Cl Cu N2 Se -","- C58 H80 Cl2 Cu2 N4 Se2 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0589","0.0388","","","0.0758","0.0849","","","","","","1.036","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705115","7.16904","0.00012","20.9451","0.0004","28.7144","0.0004","90","","90","","90","","4311.65","0.12","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Au2 Cl2 N4 Se2 -","- C46 H64 Au2 Cl2 N4 Se2 -","- C184 H256 Au8 Cl8 N16 Se8 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0472","0.0396","","","0.0918","0.0965","","","","","","1.032","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705116","12.0893","0.0005","16.9648","0.0008","13.0385","0.0005","90","","100.14","0.004","90","","2632.3","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 Se -","- C29 H40 N2 Se -","- C116 H160 N8 Se4 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0753","0.0522","","","0.1252","0.1384","","","","","","1.053","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705117","10.4825","0.0002","25.6926","0.0004","12.1018","0.0002","90","","110.519","0.002","90","","3052.51","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H80 Ag2 Cl6 N4 Se2 -","- C56 H80 Ag2 Cl6 N4 Se2 -","- C112 H160 Ag4 Cl12 N8 Se4 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0299","0.0264","","","0.0557","0.0572","","","","","","1.021","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705118","10.3254","0.0002","21.5923","0.0004","13.502","0.0003","90","","90.016","0.002","90","","3010.26","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H70 Au2 Cl8 N4 Se2 -","- C55 H70 Au2 Cl8 N4 Se2 -","- C110 H140 Au4 Cl16 N8 Se4 -","2","0.5","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0383","0.0295","","","0.057","0.061","","","","","","1.041","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705119","13.5976","0.0003","14.8217","0.0003","19.8001","0.0005","90","","107.901","0.003","90","","3797.32","0.16","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H24 Au Cl N2 Se -","- C15 H24 Au Cl N2 Se -","- C120 H192 Au8 Cl8 N16 Se8 -","8","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0205","0.0173","","","0.0351","0.0361","","","","","","1.032","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705120","6.2054","0.0003","10.1555","0.0005","16.7307","0.0009","83.35","0.004","80.041","0.004","76.055","0.004","1004.82","0.09","99.97","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0876","0.0596","","","0.1275","0.1361","","","","","","0.921","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705121","14.9191","0.0002","7.4925","0.0001","13.0292","0.0002","90","","94.062","0.001","90","","1452.76","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.035","0.0334","","","0.0841","0.0853","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705122","13.01","0.0003","16.0496","0.0004","9.7656","0.0002","90","","104.61","0.003","90","","1973.17","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.04","0.0372","","","0.1113","0.114","","","","","","0.857","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705123","15.669","0.0004","12.03113","0.00018","14.5509","0.0004","90","","113.929","0.003","90","","2507.3","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cu N2 O7 -","- C25 H32 Cu N2 O7 -","- C100 H128 Cu4 N8 O28 -","4","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0675","0.0577","","","0.1636","0.172","","","","","","1.066","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705124","34.5163","0.0004","32.031","0.0003","12.8356","0.0002","90","","96.403","0.001","90","","14102.4","0.3","100.01","0.15","100.01","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Li4 N4 O12.5 -","- C44 H40 Li4 N4 O12.5 -","- C352 H320 Li32 N32 O100 -","8","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.1128","0.0887","","","0.2501","0.2707","","","","","","1.071","","","","has coordinates,has disorder","256110","2020-10-21","18:00:00",""
"7705125","11.2609","0.0004","6.7138","0.0003","25.8248","0.0008","90","","90","","90","","1952.44","0.13","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26.42 N2 O2.21 -","- C24 H26.422 N2 O2.211 -","- C96 H105.688 N8 O8.844 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.053","0.0416","","","0.1078","0.1172","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705126","30.2657","0.0013","10.5305","0.0004","7.1124","0.0003","90","","90","","90","","2266.81","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C24 H28 N2 O6 Zn -","- C24 H28 N2 O6 Zn -","- C96 H112 N8 O24 Zn4 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0603","0.0558","","","0.1494","0.1599","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705127","6.7879","0.0003","8.9771","0.0004","12.624","0.0007","80.567","0.004","89.039","0.004","82.821","0.004","752.9","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0521","0.0432","","","0.1124","0.1192","","","","","","1.066","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705128","34.2864","0.0003","32.1058","0.0003","31.5037","0.0002","90","","95.165","0.001","90","","34538.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C235 H200 Li18 N24 O55 -","- C235 H200 Li18 N24 O55 -","- C940 H800 Li72 N96 O220 -","4","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.1524","0.1443","","","0.4014","0.4366","","","","","","1.122","","","","has coordinates,has disorder","256110","2020-10-21","18:00:00",""
"7705129","34.215","0.0003","32.1745","0.0003","50.1707","0.0004","90","","94.786","0.001","90","","55037.9","0.8","99.95","0.18","99.95","0.18","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C191 H159 Li16 N18 O43 -","- C190 H158.791 Li16 N20 O43 -","- C1520 H1270.33 Li128 N160 O344 -","8","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.2112","0.1989","","","0.5198","0.5561","","","","","","1.422","","","","has coordinates,has disorder","256110","2020-10-21","18:00:00",""
"7705130","8.8471","0.001","20.875","0.002","19.174","0.002","90","","94.529","0.002","90","","3530.1","0.6","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl F6 Fe Ir N2 P -","- C33 H35 Cl F6 Fe Ir N2 P -","- C132 H140 Cl4 F24 Fe4 Ir4 N8 P4 -","4","1","","Shao, Mingxiao; Liu, Xicheng; Sun, Yiwei; Dou, Shuaihua; Chen, Qi; Yuan, Xiang-Ai; Tian, Laijin; Liu, Zhe","Preparation and the anticancer mechanism of configuration-controlled Fe(II)-Ir(III) heteronuclear metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12599","12609","10.1039/d0dt02408b","","","0.71073","MoKα","","0.043","0.0351","","","0.1039","0.109","","","","","","1.082","","","","has coordinates","257542","2020-10-21","18:00:00",""
"7705131","15.354","0.008","15.354","","22.421","0.015","90","","90","","90","","5286","4","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 N11 O17 Yb -","- C48 H32 N11 O17 Yb -","- C192 H128 N44 O68 Yb4 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0402","0.0364","","","0.1084","0.113","","","","","","1.102","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705132","15.3972","0.0016","15.3972","0.0016","22.418","0.004","90","","90","","90","","5314.7","1.2","161","2","293","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 Er N11 O17 -","- C48 H32 Er N11 O17 -","- C192 H128 Er4 N44 O68 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0576","0.0492","","","0.1322","0.1421","","","","","","1.05","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705133","15.2258","0.001","15.2258","0.001","22.1833","0.0016","90","","90","","90","","5142.6","0.6","100","2","100","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 N11 O17 Yb -","- C48 H32 N11 O17 Yb -","- C192 H128 N44 O68 Yb4 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0475","0.0426","","","0.1267","0.1312","","","","","","1.082","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705134","15.2889","0.0014","15.2889","0.0014","22.186","0.002","90","","90","","90","","5186","0.8","120","2","120","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 Er N11 O17 -","- C48 H32 Er N11 O17 -","- C192 H128 Er4 N44 O68 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.065","0.0607","","","0.1849","0.1913","","","","","","1.191","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705135","18.2164","0.0017","8.9192","0.0008","17.6329","0.0017","90","","107.905","0.001","90","","2726.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Au N3 P -","- C33 H29 Au N3 P -","- C132 H116 Au4 N12 P4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0558","0.0386","","","0.0762","0.0834","","","","","","1.023","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705136","12.7122","0.0009","10.366","0.0008","18.2237","0.0013","90","","107.657","0.001","90","","2288.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Au N3 P -","- C27 H21 Au N3 P -","- C108 H84 Au4 N12 P4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0309","0.0249","","","0.0633","0.0671","","","","","","1.06","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705137","8.7346","0.0017","9.4044","0.0019","16.195","0.003","88.7","0.03","77.31","0.03","78.99","0.03","1273.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 Au N P -","- C33 H25 Au N P -","- C66 H50 Au2 N2 P2 -","2","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0175","0.0163","","","0.034","0.0345","","","","","","1.038","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705138","8.9759","0.0007","16.5724","0.0012","15.6715","0.0012","90","","102.759","0.001","90","","2273.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Au P S -","- C27 H22 Au P S -","- C108 H88 Au4 P4 S4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0248","0.0232","","","0.0582","0.0591","","","","","","1.073","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705139","13.413","0.004","10.891","0.004","13.413","0.004","90","","100.08","","90","","1929.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Au O P -","- C22 H20 Au O P -","- C88 H80 Au4 O4 P4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0425","0.0398","","","0.1092","0.111","","","","","","1.047","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705140","10.6521","0.0006","11.9337","0.0007","15.9069","0.0009","72.656","0.001","76.336","0.001","83.163","0.001","1872.92","0.19","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H68 Au2 Cl8 Cu2 N8 O8 P2 -","- C70 H68 Au2 Cl8 Cu2 N8 O8 P2 -","- C70 H68 Au2 Cl8 Cu2 N8 O8 P2 -","1","0.5","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0255","0.0224","","","0.0556","0.0572","","","","","","1.0513","","","","has coordinates,has disorder","256083","2020-10-21","18:00:00",""
"7705141","21.9189","0.0013","9.0536","0.0006","17.5745","0.0011","90","","90","","90","","3487.6","0.4","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 Au2 O P2 -","- C42 H34 Au2 O P2 -","- C168 H136 Au8 O4 P8 -","4","0.5","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.043","0.0312","","","0.0618","0.0675","","","","","","1.0559","","","","has coordinates,has disorder","256083","2020-10-21","18:00:00",""
"7705142","8.0732","0.0002","15.1381","0.0005","18.804","0.0006","90","","94.055","0.002","90","","2292.34","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Co N3 O7 S -","- C21 H18 Co N3 O7 S -","- C84 H72 Co4 N12 O28 S4 -","4","1","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.0792","0.0629","","","0.1548","0.168","","","","","","0.974","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705143","9.911","0.018","15.89","0.03","16.97","0.03","117.14","0.02","90.21","0.03","105.58","0.02","2266","7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H48 Co2 N6 O11.5 S2 -","- C43 H48 Co2 N6 O11.5 S2 -","- C86 H96 Co4 N12 O23 S4 -","2","1","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.1074","0.0638","","","0.1797","0.2098","","","","","","1.067","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705144","9.643","0.002","14.622","0.004","14.166","0.004","90","","93.433","0.016","90","","1993.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Co2 N6 O8 S2 -","- C44 H36 Co2 N6 O8 S2 -","- C88 H72 Co4 N12 O16 S4 -","2","0.5","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.0378","0.033","","","0.1066","0.1142","","","","","","0.894","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705145","9.1292","0.001","16.1977","0.0018","17.632","0.002","90","","92.443","0.007","90","","2604.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Co2 N6 O13 S2 -","- C46 H56 Co2 N6 O13 S2 -","- C92 H112 Co4 N12 O26 S4 -","2","0.5","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.1049","0.0698","","","0.1889","0.213","","","","","","1.031","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705146","9.6088","0.0006","9.7213","0.0006","18.0783","0.001","96.099","0.005","99.95","0.005","115.437","0.006","1470.81","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl2 Co Fe P2 -","- C34 H28 Cl2 Co Fe P2 -","- C68 H56 Cl4 Co2 Fe2 P4 -","2","1","","Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.","Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11697","11707","10.1039/d0dt01512a","","","0.71073","MoKα","","0.0591","0.0449","","","0.1153","0.1191","","","","","","0.976","","","","has coordinates","256077","2020-10-21","18:00:00",""
"7705147","9.68","0.003","9.912","0.003","18.224","0.005","97.298","0.01","99.411","0.01","116.006","0.008","1510.9","0.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Co Fe P2 -","- C34 H28 Br2 Co Fe P2 -","- C68 H56 Br4 Co2 Fe2 P4 -","2","1","","Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.","Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11697","11707","10.1039/d0dt01512a","","","0.71073","MoKα","","0.0298","0.0221","","","0.0447","0.0461","","","","","","1.026","","","","has coordinates","256077","2020-10-21","18:00:00",""
"7705148","8.9206","0.0005","18.0297","0.0011","9.9691","0.0007","90","","94.857","0.002","90","","1597.63","0.17","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H28 Co Fe I2 P2 -","- C34 H28 Co Fe I2 P2 -","- C68 H56 Co2 Fe2 I4 P4 -","2","1","","Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.","Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11697","11707","10.1039/d0dt01512a","","","0.71073","MoKα","","0.0499","0.0306","","","0.0517","0.0644","","","","","","1.04","","","","has coordinates","256077","2020-10-21","18:00:00",""
"7705149","10.379","0.004","16.873","0.006","30.938","0.011","90","","90","","90","","5418","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H23 F6 Ir N7 O P -","- C26 H21 F6 Ir N7 P -","- C208 H168 F48 Ir8 N56 P8 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.1025","0.046","","","0.074","0.0854","","","","","","0.894","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705150","10.7474","0.0016","17.421","0.003","31.295","0.005","90","","90","","90","","5859.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H25 F6 Ir N5 O P -","- C30 H25 F6 Ir N5 O P -","- C240 H200 F48 Ir8 N40 O8 P8 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0878","0.0416","","","0.0754","0.0853","","","","","","0.983","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705151","11.648","0.005","16.487","0.007","19.704","0.009","91.865","0.007","100.706","0.007","93.332","0.007","3708","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H92 F12 Ir2 N10 O P2 -","- C68 H64 F12 Ir2 N10 O P2 -","- C136 H128 F24 Ir4 N20 O2 P4 -","2","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0933","0.0553","","","0.114","0.1231","","","","","","0.912","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705152","17.859","0.003","16.147","0.003","21.284","0.003","90","","90","","90","","6137.7","1.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cl2 Ir N7 -","- C31 H30 Cl2 Ir N7 -","- C248 H240 Cl16 Ir8 N56 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0848","0.0461","","","0.09","0.1005","","","","","","0.946","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705153","15.389","0.003","14.072","0.002","19.607","0.003","90","","94.216","0.003","90","","4234.5","1.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Cl6 F6 Ir N5 O P -","- C36 H27 F6 Ir N5 P -","- C144 H108 F24 Ir4 N20 P4 -","4","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.057","0.0417","","","0.0888","0.0922","","","","","","0.943","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705154","15.196","0.003","10.3751","0.0019","21.86","0.004","90","","99.262","0.004","90","","3401.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C151 H118 Cl14 Ir4 N20 -","- C151 H118 Cl14 Ir4 N20 -","- C151 H118 Cl14 Ir4 N20 -","1","0.25","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.117","0.0589","","","0.0953","0.1085","","","","","","0.896","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705155","19.438","0.003","16.341","0.003","21.309","0.004","90","","106.081","0.003","90","","6504","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H54 Cl2 F12 Ir2 N14 O P2 -","- C65 H54 Cl2 F12 Ir2 N14 O P2 -","- C260 H216 Cl8 F48 Ir8 N56 O4 P8 -","4","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.076","0.0441","","","0.0678","0.0748","","","","","","0.833","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705156","26.346","0.004","53.628","0.007","9.5813","0.0013","90","","90","","90","","13537","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H43 F6 Ir N7 P -","- C30 H29 F6 Ir N7 P -","- C480 H464 F96 Ir16 N112 P16 -","16","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0624","0.0538","","","0.1348","0.139","","","","","","1.032","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705157","8.7995","0.0011","30.469","0.002","10.9422","0.0013","90","","92.595","0.002","90","","2930.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Co(LN5)(NCS)])(ClO4)(MeOH)","","","- C24 H36 Cl Co N7 O7 S -","- C24 H36 Cl Co N7 O7 S -","- C96 H144 Cl4 Co4 N28 O28 S4 -","4","1","","Massoud, Salah S.; Perez, Zoe E.; Courson, Jessica R.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Čajan, Michal; Trávníček, Zdeněk","Slow magnetic relaxation in penta-coordinate cobalt(II) field-induced single-ion magnets (SIMs) with easy-axis magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11715","11726","10.1039/d0dt02338h","","","0.71073","MoKα","","0.1079","0.0982","","","0.1881","0.1919","","","","","","1.362","","","","has coordinates,has disorder","256080","2020-10-21","18:00:00",""
"7705158","11.695","0.003","15.611","0.004","16.09","0.004","90.601","0.004","90.574","0.004","102.657","0.004","2865.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(LN5)(NCS)]2(ClO4)2","","","- C24 H34 Cl Co N7 O5 S -","- C24 H34 Cl Co N7 O5 S -","- C96 H136 Cl4 Co4 N28 O20 S4 -","4","2","","Massoud, Salah S.; Perez, Zoe E.; Courson, Jessica R.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Čajan, Michal; Trávníček, Zdeněk","Slow magnetic relaxation in penta-coordinate cobalt(II) field-induced single-ion magnets (SIMs) with easy-axis magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11715","11726","10.1039/d0dt02338h","","","0.71073","MoKα","","0.0916","0.0696","","","0.1534","0.1637","","","","","","1.133","","","","has coordinates,has disorder","256080","2020-10-21","18:00:00",""
"7705159","11.4312","0.0007","17.2983","0.0012","19.8767","0.0016","90","","105.599","0.002","90","","3785.7","0.5","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H46 Cl4 Fe N4 Si2 -","- C30 H46 Cl4 Fe N4 Si2 -","- C120 H184 Cl16 Fe4 N16 Si8 -","4","2","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0806","0.0579","","","0.1535","0.1709","","","","","","1.033","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705160","26.502","0.002","13.2285","0.0009","18.1814","0.0015","90","","117.706","0.002","90","","5643.2","0.7","150","2","149.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H64 Cl5 Co2 N4 Si2 -","- C48 H64 Cl5 Co2 N4 Si2 -","- C192 H256 Cl20 Co8 N16 Si8 -","4","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0966","0.074","","","0.222","0.2481","","","","","","1.058","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705161","10.0727","0.0009","12.8695","0.0012","13.2383","0.0011","67.489","0.004","85.051","0.005","67.086","0.004","1456.3","0.2","150","2","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H82 Cl4 Fe2 N6 Si6 -","- C42 H82 Cl4 Fe2 N6 Si6 -","- C42 H82 Cl4 Fe2 N6 Si6 -","1","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0994","0.054","","","0.1199","0.1393","","","","","","1.02","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705162","37.0728","0.0013","13.2937","0.0005","17.4231","0.0006","90","","110.472","0.001","90","","8044.4","0.5","150","2","149.87","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H120 Cl2 Fe2 N8 Si10 -","- C60 H120 Cl2 Fe2 N8 Si10 -","- C240 H480 Cl8 Fe8 N32 Si40 -","4","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","1.54178","CuKα","","0.0464","0.0415","","","0.1159","0.119","","","","","","1.077","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705163","10.5954","0.0009","10.9184","0.0008","17.2222","0.0014","77.08","0.004","79.212","0.004","73.855","0.004","1848.6","0.3","150.03","","150.03","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H46 Br0.84 Cl3.16 Mn N4 Si2 -","- C30 H46 Br0.84 Cl3.16 Mn N4 Si2 -","- C60 H92 Br1.68 Cl6.32 Mn2 N8 Si4 -","2","1","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0916","0.0461","","","0.0936","0.1096","","","","","","1.022","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705164","26.9482","0.0014","16.5518","0.0008","8.8695","0.0004","90","","90","","90","","3956.2","0.3","150","2","149.96","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H59 Cl Fe N4 Si5 -","- C27 H59 Cl Fe N4 Si5 -","- C108 H236 Cl4 Fe4 N16 Si20 -","4","1","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0519","0.0431","","","0.1163","0.122","","","","","","1.056","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705165","11.9514","0.0009","19.3184","0.0016","19.1714","0.0017","90","","91.199","0.002","90","","4425.4","0.6","150.02","","150.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H56 Cl4 N4 Si2 -","- C43 H56 Cl4 N4 Si2 -","- C172 H224 Cl16 N16 Si8 -","4","1","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.136","0.0989","","","0.1858","0.2012","","","","","","1.141","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705166","7.7897","0.0004","27.7273","0.0018","7.9686","0.0005","90","","104.039","0.002","90","","1669.71","0.17","150","2","150.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N4 -","- C36 H50 N4 -","- C72 H100 N8 -","2","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0647","0.0508","","","0.1253","0.1361","","","","","","1.044","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705167","14.052","0.003","13.466","0.002","16.318","0.002","90","","106.756","0.006","90","","2956.7","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 Cl4 Mn2 N6 Si6 -","- C42 H82 Cl4 Mn2 N6 Si6 -","- C84 H164 Cl8 Mn4 N12 Si12 -","2","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.1238","0.0669","","","0.1612","0.1937","","","","","","0.994","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705168","10.9455","0.0012","14.6642","0.0016","18.313","0.0019","90","","100.479","0.003","90","","2890.3","0.5","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H82 Cl4 Co2 N6 Si6 -","- C42 H82 Cl4 Co2 N6 Si6 -","- C84 H164 Cl8 Co4 N12 Si12 -","2","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0893","0.0562","","","0.1272","0.1489","","","","","","1.108","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705169","16.821","0.003","17.342","0.003","18.54","0.003","106.108","0.002","107.431","0.002","90.415","0.003","4933.2","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H45 Cl2 F6 N3 O2.5 P3 Ru -","- C51 H45 Cl2 F6 N3 O2.5 P3 Ru -","- C204 H180 Cl8 F24 N12 O10 P12 Ru4 -","4","2","","Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12643","12652","10.1039/d0dt01591a","","","0.71073","Mo-Kα","","0.0311","0.0277","","","0.071","0.0733","","","","","","1.037","","","","has coordinates,has disorder","257538","2020-10-21","18:00:00",""
"7705170","13.9632","0.0016","14.6228","0.0018","16.5042","0.0018","70.695","0.004","77.328","0.004","64.054","0.004","2848.7","0.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H45 Cl2 F6 Fe N2 O5 P4 Ru -","- C59 H48 Cl4 F6 Fe N3 O2 P3 Ru -","- C118 H96 Cl8 F12 Fe2 N6 O4 P6 Ru2 -","2","1","","Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12643","12652","10.1039/d0dt01591a","","x-ray","0.71073","MoKα","","0.1122","0.1044","","","0.2578","0.2626","","","","","","1.075","","","","has coordinates","257538","2020-10-21","18:00:00",""
"7705171","11.441","0.002","15.858","0.003","17.549","0.003","70.244","0.003","79.049","0.003","71.215","0.003","2825.1","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H58 Cl2 F6 N3 O5 P3 Ru S2 -","- C55 H58 Cl2 F6 N3 O5 P3 Ru S2 -","- C110 H116 Cl4 F12 N6 O10 P6 Ru2 S4 -","2","1","","Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12643","12652","10.1039/d0dt01591a","","","0.71073","Mo-Kα","","0.0661","0.0617","","","0.1693","0.1748","","","","","","1.036","","","","has coordinates,has disorder","257538","2020-10-21","18:00:00",""
"7705172","25.685","0.002","3.4697","0.0003","5.4404","0.0004","90","","90","","90","","484.84","0.07","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- B4 Ca2 F2 I0 Li6 O10 -","- B4 Ca2 F2 Li6 O10 -","- B8 Ca4 F4 Li12 O20 -","2","0.25","","Ding, Mengmeng; Xu, JingJing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Li<sub>3</sub>CaB<sub>2</sub>O<sub>5</sub>F: a unique sandwich-like structure with diverse and wide Li ion diffusion pathways.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12184","12188","10.1039/d0dt02423f","","","0.71073","MoKα","","0.0362","0.0302","","","0.1009","0.1104","","","","","","0.906","","","","has coordinates","257567","2020-10-21","18:00:00",""
"7705173","15.3269","0.0003","13.8051","0.0002","11.6358","0.0002","90","","90","","90","","2462.01","0.07","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Cu(NNN-pincer)-DMF]","","","- C26 H28 Cu N4 O3 -","- C26 H28 Cu N4 O3 -","- C104 H112 Cu4 N16 O12 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0388","0.0366","","","0.0998","0.1025","","","","","","1.057","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705174","23.87663","0.00017","23.87663","0.00017","7.93792","0.00008","90","","90","","90","","4525.36","0.06","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","[Cu(Py(O=C-N)2(PhMe2)2(EDA)]","","","- C25 H29 Cu N5 O2 -","- C25 H29 Cu N5 O2 -","- C200 H232 Cu8 N40 O16 -","8","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0319","0.0301","","","0.0796","0.0812","","","","","","1.046","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705175","18.1135","0.001","12.8871","0.0006","12.7862","0.0005","90","","90","","90","","2984.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cu(NNN-pincer)-OH] (Me4N)","The crystal data of this complex were collected for several times after recrystalizations with the consideration of different solvents, Et2O diffusion, vaporation and decreasing the temperature and so on. Finally, a large crystal was chosen for data collection and the diffraction data gave the best result on the solution of crystal structure, which is presented in this report. The poor data could be attributed to the asymmetric parts of allyl chain (CH2-CH=CH2) and the methyl group in the 2,6-position of phenyl rings, which led to strong disordered models in this structure with cis and trans conformational isomer presenting occypancies of 0.73 and 0.27, respectively, in the final refinement. The bond lengths, bond angles and the temperature factors of disordered atoms were restrained by using commands of DFIX and DELU & SIMU. All the hydrogen atoms were added geometrically.","","- C31 H38 Cu N4 O3 -","- C31 H38 Cu N4 O3 -","- C124 H152 Cu4 N16 O12 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.1423","0.1262","","","0.3111","0.3276","","","","","","1.036","","","","has coordinates,has disorder","257559","2020-10-21","18:00:00",""
"7705176","14.2458","0.0002","8.57344","0.00011","24.9685","0.0004","90","","104.113","0.0015","90","","2957.49","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu(N3-ligand)(DMF)](OTf)","","","- C28 H31 Cu F3 N4 O5 S -","- C28 H31 Cu F3 N4 O5 S -","- C112 H124 Cu4 F12 N16 O20 S4 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0489","0.0424","","","0.1163","0.1219","","","","","","1.028","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705177","13.7621","0.0004","21.9194","0.0004","19.9436","0.0004","90","","90","","90","","6016.1","0.2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","[Cu(NNN-ligand)]2 (Me4N)2 DMF","The asymmetric of methyland allyl groups in 2,6-positions of phenyl ring led to conformational isomer disorder with occypancies of 0.60 and 0.40 in this structure. The final refinement of disordered model of cation Me4N+ gave occupancies of 0.54 and 0.46. The DMF molecule was located in a symmetric position so that the occupancies of this molecule were set to half manually. The bond lengths, bond angles and the temperature factors of disordered DMF were restrained by using commands of DFIX and DELU & SIMU. The temperature of other disordered atoms was avaraged by DELU & SIMU commands only. All the hydrogen atoms were added geometrically.","","- C65 H81 Cu2 N9 O5 -","- C65 H81 Cu2 N9 O5 -","- C260 H324 Cu8 N36 O20 -","4","0.5","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0578","0.0538","","","0.146","0.1511","","","","","","1.033","","","","has coordinates,has disorder","257559","2020-10-21","18:00:00",""
"7705178","14.36064","0.00014","16.83191","0.00016","25.6876","0.0003","90","","105.827","0.0011","90","","5973.73","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu2(NNN-pincer)2] (Et4N)2 MeCN","","","- C64 H85 Cu2 N9 O4 -","- C64 H85 Cu2 N9 O4 -","- C256 H340 Cu8 N36 O16 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0509","0.0452","","","0.1247","0.1294","","","","","","1.065","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705179","14.2445","0.0004","19.3006","0.0005","23.1317","0.0006","94.181","0.002","91.182","0.002","106.03","0.002","6090.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H67 Cu3 F3 N13 O7 S -","- C59 H67 Cu3 F3 N13 O7 S -","- C236 H268 Cu12 F12 N52 O28 S4 -","4","2","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0711","0.0554","","","0.1477","0.1598","","","","","","1.052","","","","has coordinates,has disorder","257559","2020-10-21","18:00:00",""
"7705180","12.7226","0.0011","15.0739","0.0014","16.6986","0.0015","82.653","0.004","68.845","0.003","68.25","0.003","2773.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[[Cu(dimer-ligand)](Me4N) (Et2O)1.5 (H2O)0.5","The data used for structure solution was derived from a poor quality crystal. Many atoms were treated as disordered model with their occupancies refined freely. The final refinement of structure model gave the occupancies of main structure and Me4N cation as 0.59 and 0.41. The two Et2O molecules were treated as disordered models with occupancies of 0.59/0.41 and 0.52/0.48,respectively. The bond lengths, bond angles and the temperature factors of those disordered atoms were restrained by using commands of DFIX and DELU & SIMU, except for the disordered copper ion which was refined freely. The hydrogen atoms were added geometrically except for those for water molecule on which the two hydrogen atoms were added from Fourier Maps and set to point to the hydrogen acceptors of oxygen and nitrogen atoms on the ligand.","","- C58 H74 Cu N7 O4 -","- C58 H74 Cu N7 O4 -","- C116 H148 Cu2 N14 O8 -","2","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","0.71073","MoKα","","0.1237","0.0672","","","0.1974","0.2307","","","","","","1.128","","","","has coordinates,has disorder","257559","2020-10-21","18:00:00",""
"7705181","19.3634","0.0007","10.5517","0.0003","16.4604","0.0006","90","","107.198","0.004","90","","3212.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N2 Ni2 O13 S2 -","- C25 H28 N2 Ni2 O13 S2 -","- C100 H112 N8 Ni8 O52 S8 -","4","0.5","","Xu, Dandan; Huang, Qianqian; Xu, Xinxin; Sang, Xiaoguang","NiMOF-derived oxygen vacancy rich NiO with excellent capacitance and ORR/OER activities as a cathode material for Zn-based hybrid batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12441","12449","10.1039/d0dt01153c","","","0.71073","MoKα","","0.0643","0.06","","","0.1751","0.1774","","","","","","1.17","","","","has coordinates,has disorder","257560","2020-10-21","18:00:00",""
"7705182","10.1107","0.0007","13.5638","0.0009","13.8531","0.001","61.794","0.003","68.888","0.003","79.987","0.004","1561.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Cl2 Fe2 N4 O -","- C64 H86 Cl2 Fe2 N4 O -","- C64 H86 Cl2 Fe2 N4 O -","1","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.0671","0.0384","","","0.081","0.0902","","","","","","1.027","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705183","16.7942","0.0019","12.0222","0.0013","35.531","0.005","90","","91.82","0.007","90","","7170.2","1.5","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H43 Cl Fe N3 -","- C35 H43 Cl Fe N3 -","- C280 H344 Cl8 Fe8 N24 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1493","0.0675","","","0.1601","0.1955","","","","","","1.014","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705184","18.114","0.002","20.701","0.002","33.7","0.004","90","","90","","90","","12637","2","150","2","150","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H76 Fe N4 -","- C60 H76 Fe N4 -","- C480 H608 Fe8 N32 -","8","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1006","0.0549","","","0.134","0.1553","","","","","","1.01","","","","has coordinates","257555","2020-10-21","18:00:00",""
"7705185","13.5549","0.0012","17.0278","0.0019","16.221","0.002","90","","98.742","0.004","90","","3700.5","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Fe N3 Si2 -","- C36 H56 Fe N3 Si2 -","- C144 H224 Fe4 N12 Si8 -","4","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1029","0.0536","","","0.1077","0.1274","","","","","","1.016","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705186","26.0997","0.0006","14.5476","0.0004","18.309","0.0003","90","","107.063","0.001","90","","6645.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H94 Fe2 N4 O2 -","- C68 H94 Fe2 N4 O2 -","- C272 H376 Fe8 N16 O8 -","4","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.0929","0.0517","","","0.1304","0.1506","","","","","","1.035","","","","has coordinates","257555","2020-10-21","18:00:00",""
"7705187","10.2114","0.0004","17.4996","0.0009","10.215","0.0006","90","","110.721","0.002","90","","1707.3","0.15","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H48 Cl2 Fe N2 O -","- C34 H48 Cl2 Fe N2 O -","- C68 H96 Cl4 Fe2 N4 O2 -","2","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.0704","0.0437","","","0.0927","0.1038","","","","","","1.021","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705188","24.511","0.003","11.9033","0.0011","32.937","0.003","90","","102.358","0.005","90","","9387.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H74 Cl2 Fe N3 -","- C46 H74 Cl2 Fe N3 -","- C368 H592 Cl16 Fe8 N24 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1209","0.0543","","","0.0864","0.1051","","","","","","1.001","","","","has coordinates","257555","2020-10-21","18:00:00",""
"7705189","19.1247","0.0008","19.4899","0.001","21.8687","0.0012","90","","90","","90","","8151.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H58 Fe N4 O -","- C44 H58 Fe N4 O -","- C352 H464 Fe8 N32 O8 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1197","0.0552","","","0.1173","0.1437","","","","","","1.007","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705190","12.9685","0.0012","13.0258","0.0014","23.194","0.002","90.938","0.005","97.421","0.005","90.778","0.005","3884.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H95 Fe2 N4 O4 Si2 -","- C67 H95 Fe2 N4 O4 Si2 -","- C134 H190 Fe4 N8 O8 Si4 -","2","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.17","0.0747","","","0.1686","0.2026","","","","","","1.027","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705191","25.2519","0.0015","14.5116","0.0006","19.3032","0.0013","90","","105.013","0.003","90","","6832.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 Fe2 N4 O2 Si2 -","- C66 H94 Fe2 N4 O2 Si2 -","- C264 H376 Fe8 N16 O8 Si8 -","4","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1151","0.055","","","0.1141","0.1365","","","","","","1.004","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705192","11.801","0.003","14.041","0.003","15.332","0.004","90","","90.076","0.01","90","","2540.5","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 S2 -","- C24 H32 Co N6 S2 -","- C96 H128 Co4 N24 S8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0988","0.0462","","","0.1019","0.1218","","","","","","1.017","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705193","11.6923","0.0006","13.986","0.0007","15.6498","0.0008","90","","90.018","0.002","90","","2559.2","0.2","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 Se2 -","- C24 H32 Co N6 Se2 -","- C96 H128 Co4 N24 Se8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.1676","0.0568","","","0.0865","0.1126","","","","","","1.002","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705194","11.725","0.004","14.041","0.004","15.673","0.004","90","","90.133","0.014","90","","2580.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 Se2 -","- C24 H32 Co N6 Se2 -","- C96 H128 Co4 N24 Se8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.1814","0.0559","","","0.1123","0.1559","","","","","","0.982","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705195","11.6028","0.0009","13.9245","0.0011","15.2779","0.0012","90","","90.056","0.004","90","","2468.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 S2 -","- C24 H32 Co N6 S2 -","- C96 H128 Co4 N24 S8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0787","0.0419","","","0.0864","0.1026","","","","","","1.009","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705196","13.3379","0.0002","12.623","0.0002","18.7965","0.0004","90","","110.087","0.001","90","","2972.16","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co N10 -","- C30 H32 Co N10 -","- C120 H128 Co4 N40 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0938","0.0447","","","0.1035","0.1247","","","","","","0.999","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705197","11.6185","0.0015","13.8515","0.0019","15.55","0.002","90","","90.276","0.007","90","","2502.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 Se2 -","- C24 H32 Co N6 Se2 -","- C96 H128 Co4 N24 Se8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0556","0.0335","","","0.0682","0.0756","","","","","","1.014","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705198","20.6656","0.0019","25.056","0.002","22.596","0.002","90","","112.57","0.004","90","","10804","1.7","207","2","207.32","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 As4 Er6 K18 O210 W38 -","- C8 H6 As4 Er6 K18 O210 W38 -","- C16 H12 As8 Er12 K36 O420 W76 -","2","0.5","","Chen, Hanhan; Sun, Lin; Zhang, Jinpeng; Xiao, Zikang; Ma, Pengtao; Wang, Jingping; Zhang, Yiquan; Niu, Jingyang","Magnetic field and dilution effects on the slow relaxation of {Er<sub>3</sub>} triangle-based arsenotungstate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12458","12465","10.1039/d0dt01831g","","","0.71073","MoKα","","0.0412","0.0348","","","0.0821","0.0849","","","","","","1.043","","","","has coordinates,has disorder","257562","2020-10-21","18:00:00",""
"7705199","20.6656","0.0019","25.056","0.002","22.596","0.002","90","","112.57","0.004","90","","10804","1.7","150","2","149.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 As4 K16 O208 W38 Y6 -","- C8 H6 As4 K16 O208 W38 Y6 -","- C16 H12 As8 K32 O416 W76 Y12 -","2","0.5","","Chen, Hanhan; Sun, Lin; Zhang, Jinpeng; Xiao, Zikang; Ma, Pengtao; Wang, Jingping; Zhang, Yiquan; Niu, Jingyang","Magnetic field and dilution effects on the slow relaxation of {Er<sub>3</sub>} triangle-based arsenotungstate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12458","12465","10.1039/d0dt01831g","","","0.71073","MoKα","","0.0497","0.0394","","","0.0988","0.1045","","","","","","1.017","","","","has coordinates,has disorder","257562","2020-10-21","18:00:00",""
"7705200","20.52","0.003","24.926","0.004","22.516","0.003","90","","112.644","0.004","90","","10629","3","150","2","149.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 As4 Er0.3 K20 O219 W38 Y5.7 -","- C8 H6 As4 Er0.3 K20 O219 W38 Y5.7 -","- C16 H12 As8 Er0.6 K40 O438 W76 Y11.4 -","2","0.5","","Chen, Hanhan; Sun, Lin; Zhang, Jinpeng; Xiao, Zikang; Ma, Pengtao; Wang, Jingping; Zhang, Yiquan; Niu, Jingyang","Magnetic field and dilution effects on the slow relaxation of {Er<sub>3</sub>} triangle-based arsenotungstate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12458","12465","10.1039/d0dt01831g","","","0.71073","MoKα","","0.0372","0.0305","","","0.0713","0.0744","","","","","","1.038","","","","has coordinates,has disorder","257562","2020-10-21","18:00:00",""
"7705201","18.0222","0.0005","8.267","0.0002","16.4946","0.0004","90","","95.6395","0.0017","90","","2445.63","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N2 P -","- C28 H37 N2 P -","- C112 H148 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0517","0.0409","","","0.1062","0.1169","","","","","","1.019","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705202","17.5138","0.0014","11.3336","0.0009","15.818","0.0013","90","","103.053","0.002","90","","3058.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Au B F4 N3 P -","- C30 H40 Au B0.999 F3.996 N3 P -","- C120 H160 Au4 B3.996 F15.984 N12 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.05","0.025","","","0.0435","0.0502","","","","","","1.061","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705203","8.7135","0.0007","25.58","0.002","13.8947","0.0011","90","","90.233","0.002","90","","3097","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Au Cl N2 P -","- C32 H45 Au Cl N2 P -","- C128 H180 Au4 Cl4 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0219","0.018","","","0.0412","0.0427","","","","","","1.049","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705204","9.0504","0.0011","26.005","0.003","12.5474","0.0015","90","","97.06","0.002","90","","2930.7","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 N2 P -","- C32 H45 N2 P -","- C128 H180 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0544","0.0426","","","0.1158","0.1263","","","","","","1.029","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705205","22.6214","0.0007","8.4955","0.0003","14.142","0.0004","90","","90","","90","","2717.81","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H37 Au Cl N2 P -","- C28 H37 Au Cl N2 P -","- C112 H148 Au4 Cl4 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0293","0.026","","","0.0588","0.0601","","","","","","1.025","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705206","16.419","0.003","15.663","0.003","24.142","0.005","90","","90","","90","","6209","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H90 Ag2 Cl2 N4 P2 -","- C64 H90 Ag2 Cl2 N4 P2 -","- C256 H360 Ag8 Cl8 N16 P8 -","4","0.5","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0386","0.0291","","","0.0749","0.0771","","","","","","0.929","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705207","36.4006","0.0015","12.4031","0.0005","16.3034","0.0006","90","","113.205","0.001","90","","6765.2","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Au F3 N2 O3 P S -","- C33 H45 Au F3 N2 O3 P S -","- C264 H360 Au8 F24 N16 O24 P8 S8 -","8","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0188","0.0159","","","0.0382","0.0391","","","","","","1.043","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705208","9.7963","0.0009","14.592","0.0014","19.4635","0.0018","90","","98.4356","0.0016","90","","2752.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H74 Ag2 Cl2 N4 P2 -","- C56 H74 Ag2 Cl2 N4 P2 -","- C112 H148 Ag4 Cl4 N8 P4 -","2","0.5","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0554","0.0349","","","0.083","0.0941","","","","","","1.022","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705209","21.8546","0.0013","11.6516","0.0007","28.9714","0.0018","90","","104.839","0.003","90","","7131.3","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33.5 H43 Au Cl F6 N3 P2 -","- C33.5 H43 Au Cl F6 N3 P2 -","- C268 H344 Au8 Cl8 F48 N24 P16 -","8","2","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","1.54178","CuKα","","0.0459","0.042","","","0.1023","0.1051","","","","","","1.029","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705210","16.097","0.005","8.503","0.003","19.088","0.006","90","","114.725","0.004","90","","2373.1","1.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O11 Pr -","- C25 H18 N2 O11 Pr -","- C100 H72 N8 O44 Pr4 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0279","0.0254","","","0.0657","0.0673","","","","","","1.043","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705211","16.213","0.003","8.5404","0.0014","19.151","0.004","90","","114.685","0.003","90","","2409.4","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Eu N2 O11 -","- C25 H18 Eu N2 O11 -","- C100 H72 Eu4 N8 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.133","0.06","","","0.1018","0.1291","","","","","","0.94","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705212","16.2535","0.0018","8.5688","0.0009","19.213","0.002","90","","114.707","0.0016","90","","2430.9","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 Nd O11 -","- C25 H18 N2 Nd O11 -","- C100 H72 N8 Nd4 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0324","0.0257","","","0.0589","0.0621","","","","","","1.031","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705213","16.2883","0.001","8.5827","0.0005","19.2359","0.0012","90","","114.725","0.0009","90","","2442.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Ce N2 O11 -","- C25 H18 Ce N2 O11 -","- C100 H72 Ce4 N8 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0386","0.028","","","0.0592","0.0637","","","","","","1.012","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705214","16.2397","0.0014","8.5555","0.0007","19.2033","0.0017","90","","114.753","0.0012","90","","2422.9","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O11 Sm -","- C25 H18 N2 O11 Sm -","- C100 H72 N8 O44 Sm4 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0376","0.0323","","","0.0895","0.0931","","","","","","1.072","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705215","16.398","0.008","8.627","0.004","19.391","0.009","90","","115.01","","90","","2486","2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 La N2 O11 -","- C25 H18 La N2 O11 -","- C100 H72 La4 N8 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.1056","0.0534","","","0.094","0.1127","","","","","","0.933","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705216","9.7685","0.0013","10.294","0.0014","11.1361","0.0015","116.86","0.003","94.106","0.004","90.486","0.004","995.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 B10 F10 -","- C14 H10 B10 F10 -","- C28 H20 B20 F20 -","2","1","","Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke","Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12985","12989","10.1039/d0dt02205e","","","0.71075","MoKα","","0.1412","0.0612","","","0.1493","0.2085","","","","","","1.092","","","","has coordinates","257518","2020-10-21","18:00:00",""
"7705217","28.3905","0.0012","7.0545","0.0004","28.8336","0.0015","90","","90","","90","","5774.8","0.5","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 B10 F8 S2 -","- C26 H20 B10 F8 S2 -","- C208 H160 B80 F64 S16 -","8","2","","Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke","Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12985","12989","10.1039/d0dt02205e","","","0.71075","MoKα","","0.1312","0.1171","","","0.3492","0.3603","","","","","","1.459","","","","has coordinates","257518","2020-10-21","18:00:00",""
"7705218","5.2013","0.0003","8.4703","0.0004","16.6563","0.0007","81.037","0.004","84.396","0.004","77.057","0.004","704.94","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H44 O8 Rh2 -","- C24 H44 O8 Rh2 -","- C24 H44 O8 Rh2 -","1","0.5","","Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya","Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14373","14377","10.1039/d0dt02672g","","","0.71075","MoKα","","0.026","0.0232","","","0.0629","0.0757","","","","","","1.184","","","","has coordinates","258796","2020-11-06","11:59:25",""
"7705219","8.2724","0.0003","10.7362","0.0005","11.2851","0.0006","113.792","0.005","99.705","0.004","92.156","0.003","897.75","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N2 O8 Rh2 -","- C34 H54 N2 O8 Rh2 -","- C34 H54 N2 O8 Rh2 -","1","0.5","","Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya","Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14373","14377","10.1039/d0dt02672g","","","0.71075","MoKα","","0.0397","0.0379","","","0.094","0.0956","","","","","","1.049","","","","has coordinates","258796","2020-11-06","11:59:26",""
"7705220","30.1315","0.0006","10.2338","0.00018","22.3582","0.0004","90","","105.984","0.002","90","","6627.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 N2 O16 Rh4 -","- C58 H98 N2 O16 Rh4 -","- C232 H392 N8 O64 Rh16 -","4","1","","Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya","Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14373","14377","10.1039/d0dt02672g","","","0.71075","MoKα","","0.0521","0.0442","","","0.098","0.1016","","","","","","1.114","","","","has coordinates","258796","2020-11-06","11:59:26",""
"7705221","13.9587","0.0003","13.9699","0.0006","16.9802","0.0004","105.169","0.001","111.992","0.001","95.683","0.001","2890.57","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-tetrakis(tert-butyl-isocyano)-uranium(iv) bis(tetrakis(pentafluorophenyl)borate)","","- C102 H94 B2 F40 N4 U -","- C102 H94 B2 F40 N4 U -","- C102 H94 B2 F40 N4 U -","1","0.5","","Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John","Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11971","11977","10.1039/d0dt02005b","","","0.71073","MoKα","","0.0811","0.0745","","","0.1881","0.1936","","","","","","1.063","","","","has coordinates","256104","2020-10-21","18:00:00",""
"7705222","10.3988","0.0009","11.2181","0.0011","18.702","0.002","100.465","0.005","96.791","0.005","110.915","0.004","1963.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-(tert-butyl-isocyano)-iodo-uranium(iii)","","- C39 H67 I N U -","- C39 H67 I N U -","- C78 H134 I2 N2 U2 -","2","1","","Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John","Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11971","11977","10.1039/d0dt02005b","","","0.71073","MoKα","","0.0613","0.0452","","","0.1108","0.1209","","","","","","1.048","","","","has coordinates","256104","2020-10-21","18:00:00",""
"7705223","18.2004","0.0004","19.9489","0.0003","19.6155","0.0004","90","","111.882","0.002","90","","6608.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-bis(tert-butyl-isocyano)-iodo-uranium(iv) tetrakis(pentafluorophenyl)borate","","- C68 H76 B F20 I N2 U -","- C68 H76 B F20 I N2 U -","- C272 H304 B4 F80 I4 N8 U4 -","4","1","","Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John","Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11971","11977","10.1039/d0dt02005b","","x-ray","0.71073","MoKα","","0.0411","0.0317","","","0.0744","0.0775","","","","","","1.053","","","","has coordinates","256104","2020-10-21","18:00:00",""
"7705224","10.7803","0.0013","11.487","0.0012","11.5255","0.0015","90","","103.371","0.01","90","","1388.6","0.3","180","2","180.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Mn2 N16 O2 -","- C20 H28 Mn2 N16 O2 -","- C40 H56 Mn4 N32 O4 -","2","0.5","","Pandit, Nithun Ranjan; Bej, Sourav; Mondal, Ananya; Ghosh, Meenakshi; Kostakis, George E.; Powell, Annie K.; Banerjee, Priyabrata; Biswas, Biplab","Exploratory studies on azido-bridged complexes (Ni<sup>2+</sup> and Mn<sup>2+</sup>) as dual colourimetric chemosensors for S<sup>2-</sup> and Ag<sup>+</sup>: combined experimental and theoretical outcomes with real field applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13090","13099","10.1039/d0dt02846k","","","0.71073","MoKα","","0.0328","0.0252","","","0.0679","0.0703","","","","","","1.028","","","","has coordinates","257503","2020-10-21","18:00:00",""
"7705225","11.6224","0.0009","16.354","0.002","10.1679","0.001","90","","104.008","0.007","90","","1875.2","0.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N18 Ni2 O4 -","- C26 H42 N18 Ni2 O4 -","- C52 H84 N36 Ni4 O8 -","2","0.5","","Pandit, Nithun Ranjan; Bej, Sourav; Mondal, Ananya; Ghosh, Meenakshi; Kostakis, George E.; Powell, Annie K.; Banerjee, Priyabrata; Biswas, Biplab","Exploratory studies on azido-bridged complexes (Ni<sup>2+</sup> and Mn<sup>2+</sup>) as dual colourimetric chemosensors for S<sup>2-</sup> and Ag<sup>+</sup>: combined experimental and theoretical outcomes with real field applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13090","13099","10.1039/d0dt02846k","","","0.71073","MoKα","","0.0884","0.0378","","","0.0562","0.0664","","","","","","0.881","","","","has coordinates","257503","2020-10-21","18:00:00",""
"7705226","7.61","0.002","13.099","0.004","19.064","0.006","101.261","0.005","96.918","0.005","96.3","0.005","1832.8","0.9","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H23 F6 N4 O3 P Ru -","- C34 H23 F6 N4 O3 P Ru -","- C68 H46 F12 N8 O6 P2 Ru2 -","2","1","","Zeng, L.; Sirbu, D.; Waddell, P. G.; Tkachenko, N. V.; Probert, M. R.; Benniston, A. C.","Hydrogen peroxide assisted photorelease of an anthraquinone-based ligand from [Ru(2,2'-bipyridine)<sub>2</sub>(9,10-dioxo-9,10-dihydroanthracen-1-olate)]Cl in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13243","13252","10.1039/d0dt02339f","","x-ray","0.6889","","","0.1","0.0788","","","0.2087","0.2228","","","","","","1.088","","","","has coordinates","258870","2020-11-06","12:24:24",""
"7705227","31.279","0.004","11.3928","0.0006","21.323","0.003","90","","130.59","0.02","90","","5770","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 Co Eu N8 O11 -","- C20 H25 Co Eu N8 O11 -","- C160 H200 Co8 Eu8 N64 O88 -","8","1","","Li, Meng-Hua; Lv, Shu-Li; You, Ming-Hua; Lin, Mei-Jin","Three-component D-A hybrid heterostructures with enhanced photochromic, photomodulated luminescence and selective anion-sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13083","13089","10.1039/d0dt02390f","","x-ray","0.71073","MoKα","","0.0539","0.0357","","","0.0803","0.086","","","","","","1.083","","","","has coordinates","257505","2020-10-21","18:00:00",""
"7705228","31.267","0.002","11.4024","0.0006","21.1252","0.0014","90","","130.659","0.002","90","","5713.4","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24.5 Co N8 O10.5 Sm -","- C20 H24.5 Co N8 O10.5 Sm -","- C160 H196 Co8 N64 O84 Sm8 -","8","1","","Li, Meng-Hua; Lv, Shu-Li; You, Ming-Hua; Lin, Mei-Jin","Three-component D-A hybrid heterostructures with enhanced photochromic, photomodulated luminescence and selective anion-sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13083","13089","10.1039/d0dt02390f","","","0.71073","MoKα","","0.0329","0.0283","","","0.0658","0.0692","","","","","","1.043","","","","has coordinates","257505","2020-10-21","18:00:00",""
"7705229","31.279","0.005","11.3714","0.001","21.267","0.004","90","","130.46","0.03","90","","5755","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Co Dy N8 O9 -","- C20 H22 Co Dy N8 O9 -","- C160 H176 Co8 Dy8 N64 O72 -","8","1","","Li, Meng-Hua; Lv, Shu-Li; You, Ming-Hua; Lin, Mei-Jin","Three-component D-A hybrid heterostructures with enhanced photochromic, photomodulated luminescence and selective anion-sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13083","13089","10.1039/d0dt02390f","","x-ray","0.71073","MoKα","","0.0918","0.0667","","","0.1912","0.2527","","","","","","1.049","","","","has coordinates","257505","2020-10-21","18:00:00",""
"7705230","25.427","0.0009","12.1243","0.0005","33.2299","0.001","90","","100.785","0.003","90","","10063.3","0.6","293","2","293","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","DS05","","- C50 H53 Ag Cl2 N5 O3 P2 S0.12 -","- C51 H52 Ag Cl N4 O3 P2 S -","- C408 H416 Ag8 Cl8 N32 O24 P16 S8 -","8","1","","Silva, Débora E S; Becceneri, Amanda B.; Santiago, João V B; Gomes Neto, José A; Ellena, Javier; Cominetti, Márcia R; Pereira, José C M; Hannon, Michael J.; Netto, Adelino V. G.","Silver(I) complexes of 3-methoxy-4-hydroxybenzaldehyde thiosemicarbazones and triphenylphosphine: structural, cytotoxicity, and apoptotic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16474","16487","10.1039/d0dt01134g","","x-ray","0.71073","MoKα","","0.0628","0.0366","","","0.0722","0.0882","","","","","","1.06","","","","has coordinates","260771","2021-01-07","06:26:22",""
"7705231","25.5169","0.001","10.2681","0.0003","43.641","0.0013","90","","102.951","0.003","90","","11143.5","0.7","298","","298","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","DES 6","","- C47 H49 Ag Cl2 N6 O2 P2 S0.12 -","- C52 H54 Ag Cl N4 O2 P2 S -","- C416 H432 Ag8 Cl8 N32 O16 P16 S8 -","8","1","","Silva, Débora E S; Becceneri, Amanda B.; Santiago, João V B; Gomes Neto, José A; Ellena, Javier; Cominetti, Márcia R; Pereira, José C M; Hannon, Michael J.; Netto, Adelino V. G.","Silver(I) complexes of 3-methoxy-4-hydroxybenzaldehyde thiosemicarbazones and triphenylphosphine: structural, cytotoxicity, and apoptotic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16474","16487","10.1039/d0dt01134g","","x-ray","0.71073","MoKα","","0.1286","0.053","","","0.1186","0.1488","","","","","","1.01","","","","has coordinates","260771","2021-01-07","06:26:22",""
"7705232","9.1955","0.0003","15.873","0.0005","16.3458","0.0005","90","","92.775","0.003","90","","2383.04","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","2","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","x-ray","0.71073","MoKα","","0.0947","0.0562","","","0.0993","0.1117","","","","","","1.016","","","","has coordinates","257552","2020-10-21","18:00:00",""
"7705233","8.8756","0.0013","11.4888","0.0011","34.989","0.005","90","","90","","90","","3567.8","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 F6 N4 O3 S Ta -","- C35 H39 F6 N4 O3 S Ta -","- C140 H156 F24 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","1.54178","CuKα","","0.0205","0.0205","","","0.0506","0.0506","","","","","","1.082","","","","has coordinates","257552","2020-10-21","18:00:00",""
"7705234","8.1293","0.0008","21.067","0.002","24.63","0.002","90","","90","","90","","4218.1","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 F6 N4 O3 S Ti -","- C42 H48 F6 N4 O3 S Ti -","- C168 H192 F24 N16 O12 S4 Ti4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","1.54178","CuKα","","0.0349","0.0326","","","0.0828","0.0847","","","","","","1.037","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705235","10.0894","0.001","11.9917","0.0013","28.308","0.003","90","","90","","90","","3425","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 F3 N4 O3 S Ta -","- C34 H40 F3 N4 O3 S Ta -","- C136 H160 F12 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","0.71073","MoKα","","0.029","0.0236","","","0.0419","0.043","","","","","","1.016","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705236","13.3873","0.001","15.0633","0.0013","16.524","0.0013","90","","90","","90","","3332.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 N4 O3 S Ta -","- C34 H43 N4 O3 S Ta -","- C136 H172 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","0.71073","MoKα","","0.0201","0.018","","","0.0375","0.038","","","","","","0.993","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705237","12.5415","0.0004","13.9618","0.0004","15.2652","0.0004","67.212","0.003","82.957","0.002","83.194","0.002","2438.35","0.13","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Co F12 N13 O4 P2 -","- C44 H43 Co F12 N13 O4 P2 -","- C88 H86 Co2 F24 N26 O8 P4 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.067","0.0497","","","0.1136","0.1237","","","","","","1.026","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705238","11.94056","0.00017","21.9377","0.0004","16.2425","0.0002","90","","93.144","0.0013","90","","4248.29","0.11","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Co F12 N10 O4 P2 -","- C38 H34 Co F12 N10 O4 P2 -","- C152 H136 Co4 F48 N40 O16 P8 -","4","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0702","0.0585","","","0.1509","0.1581","","","","","","1.117","","","","has coordinates,has disorder","257541","2020-10-21","18:00:00",""
"7705239","17.4295","0.0004","14.5425","0.0003","7.9196","0.0002","90","","100.252","0.002","90","","1975.32","0.08","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl2 Co N5 O3 -","- C19 H19 Cl2 Co N5 O3 -","- C76 H76 Cl8 Co4 N20 O12 -","4","0.5","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0308","0.026","","","0.0653","0.0679","","","","","","1.038","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705240","7.9978","0.0002","9.273","0.0002","14.4181","0.0004","102.016","0.002","99.28","0.002","104.188","0.002","988.23","0.05","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl2 Co N5 O2 -","- C19 H17 Cl2 Co N5 O2 -","- C38 H34 Cl4 Co2 N10 O4 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0486","0.0333","","","0.0707","0.0776","","","","","","1.033","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705241","20.8421","0.0001","13.9804","0.0001","19.0077","0.0001","90","","95.099","0.001","90","","5516.56","0.06","173.01","0.1","173.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H29 Cl2 Co N5 O4 S2 -","- C23 H29 Cl2 Co N5 O4 S2 -","- C184 H232 Cl16 Co8 N40 O32 S16 -","8","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","1.54184","CuKα","","0.0373","0.0339","","","0.0833","0.0849","","","","","","1.043","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705242","12.5126","0.0003","13.9713","0.0004","15.2848","0.0004","67.053","0.002","82.782","0.002","82.793","0.002","2432.53","0.12","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 F12 N13 Ni O4 P2 -","- C44 H43 F12 N13 Ni O4 P2 -","- C88 H86 F24 N26 Ni2 O8 P4 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0731","0.0509","","","0.1118","0.1239","","","","","","1.027","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705243","11.976","0.0002","21.8343","0.0003","16.1933","0.0002","90","","92.267","0.001","90","","4231.03","0.11","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 F12 N10 Ni O4 P2 -","- C38 H34 F12 N10 Ni O4 P2 -","- C152 H136 F48 N40 Ni4 O16 P8 -","4","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.1133","0.0651","","","0.1344","0.1578","","","","","","1.021","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705244","12.4959","0.0003","12.8519","0.0004","13.2986","0.0003","77.984","0.002","77.089","0.002","64.978","0.002","1870.64","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H32 F12 N10 O2 P2 Ru -","- C29 H32 F12 N10 O2 P2 Ru -","- C58 H64 F24 N20 O4 P4 Ru2 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0361","0.0319","","","0.0796","0.0824","","","","","","1.074","","","","has coordinates,has disorder","257541","2020-10-21","18:00:00",""
"7705245","13.05781","0.00013","14.7905","0.0002","24.4665","0.0003","90","","99.3165","0.001","90","","4662.92","0.1","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Co F18 N10 O6 P3 -","- C38 H38 Co F18 N10 O6 P3 -","- C152 H152 Co4 F72 N40 O24 P12 -","4","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0816","0.0584","","","0.1544","0.1661","","","","","","1.102","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705246","16.993","0.002","16.993","0.002","16.993","0.002","90","","90","","90","","4906.9","1","296","2","240","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C24 H30 N12 O4 Zn3 -","- C24 H30 N12 O4 Zn3 -","- C96 H120 N48 O16 Zn12 -","4","0.0833333","","Ji, Peng; Tian, Renbing; Zheng, Hua; Jiang, Jin-Gang; Sun, Jinghua; Peng, Junbiao","Solvent-free synthesis of ZIF-8 from zinc acetate with the assistance of sodium hydroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12555","12558","10.1039/d0dt02856h","","","1.54178","CuKα","","0.0512","0.051","","","0.1424","0.1431","","","","","","1.393","","","","has coordinates","257539","2020-10-21","18:00:00",""
"7705247","10.5844","0.0003","27.3756","0.0008","28.6573","0.0007","90","","99.505","0.002","90","","8189.6","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C144 H178 B4 N28 O8 W4 -","- C144 H178 B4 N28 O8 W4 -","- C288 H356 B8 N56 O16 W8 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","","1.54184","CuKα","","0.0662","0.0458","","","0.1119","0.1228","","","","","","0.995","","","","has coordinates","257566","2020-10-21","18:00:00",""
"7705248","31.9296","0.0006","8.1535","0.0001","18.8459","0.0003","90","","90","","90","","4906.3","0.13","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H26 B N7 O2 W -","- C23 H26 B N7 O2 W -","- C184 H208 B8 N56 O16 W8 -","8","2","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","","1.54184","CuKα","","0.0565","0.0515","","","0.1198","0.1226","","","","","","1.11","","","","has coordinates,has disorder","257566","2020-10-21","18:00:00",""
"7705249","12.0635","0.0012","14.5979","0.0011","24.2222","0.0012","80.549","0.005","83.197","0.006","73.876","0.008","4030.2","0.6","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C116 H112 B4 N28 O8 W4 Zn -","- C116 H112 B4 N28 O8 W4 Zn -","- C116 H112 B4 N28 O8 W4 Zn -","1","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","","1.54184","CuKα","","0.1318","0.0777","","","0.1927","0.2276","","","","","","0.932","","","","has coordinates","257566","2020-10-21","18:00:00",""
"7705250","15.2352","0.0012","15.6101","0.001","16.9339","0.0015","86.793","0.006","67.571","0.008","80.675","0.006","3673.3","0.5","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C116 H114 Au4 B4 Cl4 N28 O8 W4 -","- C116 H114 Au4 B4 Cl4 N28 O8 W4 -","- C116 H114 Au4 B4 Cl4 N28 O8 W4 -","1","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","x-ray","1.54184","CuKα","","0.0896","0.0608","","","0.1451","0.1704","","","","","","1.001","","","","has coordinates","257566","2020-10-21","18:00:00",""
"7705251","10.65","0.0009","12.1479","0.0011","13.1931","0.0012","108.267","0.003","101.159","0.002","106.443","0.003","1478","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 Cu4 N8 O29 W6 -","- C48 H46 Cu4 N8 O29 W6 -","- C48 H46 Cu4 N8 O29 W6 -","1","0.5","","Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin","Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13993","13998","10.1039/d0dt02625e","","","0.71073","MoKα","","0.0697","0.0585","","","0.1874","0.1953","","","","","","1.081","","","","has coordinates","258855","2020-11-06","12:19:28",""
"7705252","9.58","0.002","4.8156","0.001","12.595","0.003","90","","103.16","0.03","90","","565.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C30 H24 N4 -","2","1","","Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin","Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13993","13998","10.1039/d0dt02625e","","","1.54184","CuKα","","0.091","0.0716","","","0.2276","0.2693","","","","","","1.139","","","","has coordinates","258855","2020-11-06","12:19:31",""
"7705253","26.174","0.002","16.2204","0.0014","14.0404","0.0012","90","","118.393","0.004","90","","5243.8","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H37 Cl Cu2 N8 O21 W6 -","- C48 H37 Cl Cu2 N8 O21 W6 -","- C192 H148 Cl4 Cu8 N32 O84 W24 -","4","0.5","","Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin","Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13993","13998","10.1039/d0dt02625e","","","0.71073","MoKα","","0.1045","0.0551","","","0.1587","0.1894","","","","","","1.073","","","","has coordinates","258855","2020-11-06","12:19:33",""
"7705254","12.2679","0.0005","24.0778","0.0019","24.2183","0.0008","90","","90","","90","","7153.7","0.7","150","0.1","150","0.1","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Au B Cl F6 N6 O2 P2 W -","- C26 H33 Au B Cl F6 N6 O2 P2 W -","- C208 H264 Au8 B8 Cl8 F48 N48 O16 P16 W8 -","8","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","0.71073","MoKα","","0.0997","0.0669","","","0.1528","0.176","","","","","","1.1","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705255","16.5808","0.0004","14.449","0.0004","22.7627","0.0006","90","","93.001","0.002","90","","5445.9","0.2","150","0.1","150","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","Compound_8","","- C47 H56 B Cl3 F6 N8 O2 P2 Pt W -","- C47 H56 B Cl3 F6 N8 O2 P2 Pt W -","- C188 H224 B4 Cl12 F24 N32 O8 P8 Pt4 W4 -","4","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","0.71073","MoKα","","0.0649","0.0402","","","0.0631","0.0699","","","","","","0.964","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705256","13.3582","0.0008","16.9977","0.001","17.9256","0.0011","111.35","0.006","100.699","0.005","90.294","0.005","3713.2","0.4","150.01","0.1","150.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C26 H33 B Cl Cu F6 N6 O2 P2 W -","- C26 H33 B Cl Cu F6 N6 O2 P2 W -","- C104 H132 B4 Cl4 Cu4 F24 N24 O8 P8 W4 -","4","2","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","1.54184","CuKα","","0.1126","0.0797","","","0.1821","0.2025","","","","","","1.034","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705257","14.6038","0.0003","14.028","0.0003","23.5934","0.0005","90","","97.914","0.002","90","","4787.36","0.18","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B F6 N8 O2 P2 Pt W -","- C36 H51 B F6 N8 O2 P2 Pt W -","- C144 H204 B4 F24 N32 O8 P8 Pt4 W4 -","4","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","","0.71073","MoKα","","0.0413","0.0301","","","0.0581","0.0621","","","","","","1.02","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705258","15.0989","0.0004","23.4132","0.0006","24.3451","0.0008","90","","101.691","0.003","90","","8427.8","0.4","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B F6 N6 O2 P2 Pt W -","- C34 H45 B F6 N6 O2 P2 Pt W -","- C272 H360 B8 F48 N48 O16 P16 Pt8 W8 -","8","2","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","0.71073","MoKα","","0.1073","0.0598","","","0.107","0.1258","","","","","","1.028","","","","has coordinates,has disorder","257545","2020-10-21","18:00:00",""
"7705259","22.7787","0.0006","6.4712","0.0002","25.0606","0.0007","90","","90.101","0.002","90","","3694.07","0.18","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 Ba4 Hg S10 -","- As2 Ba4 Hg S10 -","- As16 Ba32 Hg8 S80 -","8","1","","Xing, Wenhao; Wang, Naizheng; Li, Zhuang; Liu, Wenhao; Tang, Jian; Yin, Wenlong; Lin, Zheshuai; Kang, Bin; Yao, Jiyong","New quaternary chalcogenide Ba<sub>4</sub>HgAs<sub>2</sub>S<sub>10</sub> originating from the combination of linear [HgS<sub>2</sub>]<sup>2-</sup> and tetrahedral [AsS<sub>4</sub>]<sup>3-</sup> modules.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13060","13065","10.1039/d0dt02781b","","x-ray","0.71073","MoKα","","0.0193","0.0181","","","0.0435","0.0439","","","","","","1.154","","","","has coordinates","257513","2020-10-21","18:00:00",""
"7705260","31.541","0.002","9.6191","0.0008","14.6584","0.001","90","","95.861","0.002","90","","4424.1","0.6","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H32 Mn N8 -","- C44 H32 Mn N8 -","- C176 H128 Mn4 N32 -","4","1","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","0.71073","MoKα","","0.1672","0.0793","","","0.1559","0.1896","","","","","","0.965","","","","has coordinates","257543","2020-10-21","18:00:00",""
"7705261","9.8328","0.0013","9.1345","0.0012","20.405","0.003","90","","103.554","0.005","90","","1781.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N8 O4 Zn -","- C44 H32 N8 O4 Zn -","- C88 H64 N16 O8 Zn2 -","2","0.5","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","0.71073","MoKα","","0.1065","0.064","","","0.1694","0.2069","","","","","","1.084","","","","has coordinates","257543","2020-10-21","18:00:00",""
"7705262","9.86","0.0014","9.1501","0.0012","20.476","0.003","90","","103.826","0.004","90","","1793.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Mn N8 O4 -","- C44 H32 Mn N8 O4 -","- C88 H64 Mn2 N16 O8 -","2","0.5","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","0.71073","MoKα","","0.1752","0.1266","","","0.2949","0.3296","","","","","","1.149","","","","has coordinates","257543","2020-10-21","18:00:00",""
"7705263","31.6289","0.0018","9.5751","0.0005","14.6667","0.0008","90","","96.004","0.002","90","","4417.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N8 Zn -","- C44 H32 N8 Zn -","- C176 H128 N32 Zn4 -","4","0.5","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","1.34138","GaKα","","0.0933","0.0834","","","0.2571","0.2655","","","","","","1.066","","","","has coordinates,has disorder","257543","2020-10-21","18:00:00",""
"7705264","8.554","0.003","11.089","0.004","11.895","0.004","90.098","0.009","110.13","0.012","90.113","0.009","1059.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N3 O7 Zn -","- C20 H20 N3 O7 Zn -","- C40 H40 N6 O14 Zn2 -","2","1","","Paul, Anup; Das, Kabita; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A mechanistic insight into the rapid and selective removal of Congo Red by an amide functionalised Zn(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12970","12984","10.1039/d0dt02172e","","","0.71073","MoKα","","0.0599","0.0485","","","0.1173","0.1298","","","","","","1.103","","","","has coordinates","257511","2020-10-21","18:00:00",""
"7705265","17.1194","0.0013","5.1144","0.0003","25.2616","0.0015","90","","92.795","0.004","90","","2209.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Pb -","- C26 H18 N4 O6 Pb -","- C104 H72 N16 O24 Pb4 -","4","1","","Paul, Anup; Das, Kabita; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A mechanistic insight into the rapid and selective removal of Congo Red by an amide functionalised Zn(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12970","12984","10.1039/d0dt02172e","","","0.71073","MoKα","","0.0199","0.0152","","","0.0413","0.0438","","","","","","1.069","","","","has coordinates","257511","2020-10-21","18:00:00",""
"7705266","7.7745","0.0005","8.7385","0.0006","10.6928","0.0007","105.022","0.002","95.322","0.003","116.297","0.002","610.66","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N4 O8 -","- C26 H22 Cd N4 O8 -","- C26 H22 Cd N4 O8 -","1","0.5","","Paul, Anup; Das, Kabita; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A mechanistic insight into the rapid and selective removal of Congo Red by an amide functionalised Zn(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12970","12984","10.1039/d0dt02172e","","","0.71073","MoKα","","0.0167","0.0166","","","0.0443","0.0444","","","","","","1.109","","","","has coordinates","257511","2020-10-21","18:00:00",""
"7705267","14.6369","0.0009","14.6369","0.0009","14.6369","0.0009","90","","90","","90","","3135.8","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","[Co(CO)3(iPr2PNHiPr)]2","","- C12 H22 Co N O3 P -","- C11.9988 H21.9978 Co N0.9999 O2.9997 P0.9999 -","- C95.9904 H175.982 Co8 N7.9992 O23.9976 P7.9992 -","8","0.333333","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.1349","0.0414","","","0.0983","0.1479","","","","","","1.014","","","","has coordinates,has disorder","260793","2021-01-07","06:33:02",""
"7705268","21.536","0.001","21.536","0.001","17.0203","0.0017","90","","90","","120","","6836.4","0.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Co6Se8(Ph2PNHiPr)6","","- C90 H108 Co6 N6 P6 Se8 -","- C90 H108 Co6 N6 P6 Se8 -","- C270 H324 Co18 N18 P18 Se24 -","3","0.166667","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0577","0.0294","","","0.0564","0.0675","","","","","","1.068","","","","has coordinates","260793","2021-01-07","06:33:03",""
"7705269","22.463","0.003","16.532","0.003","19.79","0.003","90","","96.433","0.013","90","","7303","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Co4Se2(CO)6(Ph2PNHiPr)4","","- C66 H72 Co4 N4 O6 P4 Se2 -","- C66 H72 Co4 N4 O6 P4 Se2 -","- C264 H288 Co16 N16 O24 P16 Se8 -","4","0.5","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.1276","0.0595","","","0.1402","0.1756","","","","","","0.963","","","","has coordinates","260793","2021-01-07","06:33:03",""
"7705270","14.2628","0.0008","14.2802","0.0009","15.0757","0.0009","112.912","0.003","112.532","0.003","99.092","0.003","2436.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[Co6Se8(Ph2PNHiPr)6][PF6]","","- C90 H108 Co6 F6 N6 P7 Se8 -","- C90 H108 Co6 F6 N6 P7 Se8 -","- C90 H108 Co6 F6 N6 P7 Se8 -","1","0.5","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0713","0.041","","","0.0786","0.0861","","","","","","0.993","","","","has coordinates,has disorder","260793","2021-01-07","06:33:03",""
"7705271","29.1239","0.0018","14.1669","0.001","26.9352","0.0018","90","","102.301","0.003","90","","10858.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Fe3Co6Se8(Ph2PNiPr)6","","- C105.75 H125.5 Co6 Fe3 N6 P6 Se8 -","- C105.752 H125.496 Co6 Fe3 N6 P6 Se8 -","- C423.008 H501.984 Co24 Fe12 N24 P24 Se32 -","4","1","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0948","0.0416","","","0.0817","0.0981","","","","","","1.002","","","","has coordinates,has disorder","260793","2021-01-07","06:33:03",""
"7705272","10.968","0.002","11.693","0.003","25.67","0.005","85.582","0.011","78.46","0.011","81.148","0.011","3183.5","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Co3Se(PPh2)(CO)4(Ph2PNHiPr)3","","- C65 H74 Co3 N3 O5 P4 Se -","- C65 H74 Co3 N3 O5 P4 Se -","- C130 H148 Co6 N6 O10 P8 Se2 -","2","1","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0896","0.0475","","","0.094","0.1097","","","","","","1.012","","","","has coordinates","260793","2021-01-07","06:33:03",""
"7705273","18.8172","0.0015","22.3972","0.0016","25.035","0.002","90","","92.286","0.004","90","","10542.7","1.4","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Zn3Co6Se8(Ph2PNiPr)6","","- C90 H102.68 Co6 N6 P6 Se8 Zn2.66 -","- C90 H102.675 Co6 N6 P6 Se8 Zn2.6625 -","- C360 H410.7 Co24 N24 P24 Se32 Zn10.65 -","4","2","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0656","0.0379","","","0.0703","0.0786","","","","","","1.018","","","","has coordinates,has disorder","260793","2021-01-07","06:33:03",""
"7705274","18.4644","0.0018","12.0348","0.0012","47.112","0.005","90","","95.726","0.002","90","","10416.8","1.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 N4 P2 -","- C62 H68 N4 P2 -","- C496 H544 N32 P16 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Schulz, Axel; Villinger, Alexander","Reversible switching between housane and cyclopentanediyl isomers: an isonitrile-catalysed thermal reverse reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13986","13992","10.1039/d0dt02688c","","","0.71073","MoKα","","0.0743","0.0445","","","0.1007","0.1155","","","","","","1.016","","","","has coordinates","258844","2020-11-06","12:17:04",""
"7705275","8.3926","0.0006","5.4095","0.0003","10.6751","0.0008","90","","111.049","0.008","90","","452.31","0.06","288","11","288","11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Br F2 Ga O6 Pb2 Se2 -","- Br F2 Ga O6 Pb2 Se2 -","- Br2 F4 Ga2 O12 Pb4 Se4 -","2","1","","Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","Selenite bromide nonlinear optical materials Pb<sub>2</sub>GaF<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br and Pb<sub>2</sub>NbO<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14046","14051","10.1039/d0dt02514c","","","0.71073","MoKα","","0.0272","0.0234","","","0.0604","0.0611","","","","","","1.062","","","","has coordinates","258840","2020-11-06","12:16:08",""
"7705276","8.5893","0.0009","5.4553","0.0004","10.8098","0.001","90","","111.962","0.012","90","","469.76","0.08","296.29","0.1","296.29","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Br Nb O8 Pb2 Se2 -","- Br Nb O8 Pb2 Se2 -","- Br2 Nb2 O16 Pb4 Se4 -","2","1","","Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","Selenite bromide nonlinear optical materials Pb<sub>2</sub>GaF<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br and Pb<sub>2</sub>NbO<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14046","14051","10.1039/d0dt02514c","","","0.71073","MoKα","","0.0274","0.0258","","","0.0521","0.0526","","","","","","1.021","","","","has coordinates","258840","2020-11-06","12:16:09",""
"7705277","12.3221","0.0003","18.2014","0.0006","18.6062","0.0006","90","","97.754","0.003","90","","4134.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cl Cu N6 O4 -","- C48 H38 Cl Cu N6 O4 -","- C192 H152 Cl4 Cu4 N24 O16 -","4","1","","Kumari, Sheela; Muthuramalingam, Sethuraman; Dhara, Ashish Kumar; Singh, U. P.; Mayilmurugan, Ramasamy; Ghosh, Kaushik","Cu(I) complexes obtained <i>via</i> spontaneous reduction of Cu(II) complexes supported by designed bidentate ligands: bioinspired Cu(I) based catalysts for aromatic hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13829","13839","10.1039/d0dt02413a","","","0.71073","MoKα","","0.0823","0.0507","","","0.1107","0.1241","","","","","","1.016","","","","has coordinates","258820","2020-11-06","12:09:36",""
"7705278","14.307","0.003","11.256","0.002","20.349","0.004","90","","90","","90","","3277","1.1","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C29 H25 Mo N7 -","- C29 H25 Mo N7 -","- C116 H100 Mo4 N28 -","4","0.25","","Cha, Jeongmin; Kwon, Hyunchul; Song, Hayoung; Lee, Eunsung","Dinitrogen activation by a penta-pyridyl molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12945","12949","10.1039/d0dt02692a","","","0.7","Synchrotron","","0.0578","0.0567","","","0.154","0.1546","","","","","","1.118","","","","has coordinates,has disorder","257517","2020-10-21","18:00:00",""
"7705279","14.427","0.005","18.077","0.01","11.027","0.004","90","","113.285","0.008","90","","2642","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H37 N3 Na2 O4 -","- C27 H37 N3 Na2 O4 -","- C108 H148 N12 Na8 O16 -","4","0.5","","Cha, Jeongmin; Kwon, Hyunchul; Song, Hayoung; Lee, Eunsung","Dinitrogen activation by a penta-pyridyl molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12945","12949","10.1039/d0dt02692a","","","0.71073","MoKα","","0.1064","0.0617","","","0.1477","0.1886","","","","","","0.96","","","","has coordinates","257517","2020-10-21","18:00:00",""
"7705280","13.0435","0.0007","35.1784","0.0017","10.3323","0.0005","90","","91.933","0.002","90","","4738.3","0.4","120","2","119.89","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- In4 S12 Sn2 -","- In4 S12 Sn2 -","- In16 S48 Sn8 -","4","1","","Wu, Sijie; Wu, Zhou; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Li, Dong-Sheng; Wu, Tao","Two new layered metal chalcogenide frameworks as photocatalysts for highly efficient and selective dye degradation.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13276","13281","10.1039/d0dt02454f","","","0.71073","MoKα","","0.058","0.0423","","","0.1095","0.1189","","","","","","1.042","","","","has coordinates","258867","2020-11-06","12:23:37",""
"7705281","23.9507","0.0016","12.4142","0.0009","22.5931","0.0016","90","","90","","90","","6717.6","0.8","120","2","119.99","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- S17 Sn8 -","- S17 Sn8 -","- S68 Sn32 -","4","0.5","","Wu, Sijie; Wu, Zhou; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Li, Dong-Sheng; Wu, Tao","Two new layered metal chalcogenide frameworks as photocatalysts for highly efficient and selective dye degradation.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13276","13281","10.1039/d0dt02454f","","","0.71073","MoKα","","0.1289","0.0493","","","0.139","0.1906","","","","","","1.008","","","","has coordinates","258867","2020-11-06","12:23:37",""
"7705282","21.1904","0.0015","7.7771","0.0005","30.828","0.002","90","","90","","90","","5080.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C144 H128 Br48 N16 Pb16 -","16","2","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0589","0.0397","","","0.0966","0.1093","","","","","","1.071","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705283","4.3634","0.0004","22.5833","0.0018","13.1074","0.0011","90","","99.068","0.008","90","","1275.46","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C36 H32 Br12 N4 Pb4 -","4","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0407","0.025","","","0.0484","0.0507","","","","","","0.87","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705284","4.3397","0.0002","22.5309","0.0017","13.0048","0.001","90","","98.941","0.006","90","","1256.12","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C36 H32 Br12 N4 Pb4 -","4","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0408","0.0349","","","0.0767","0.078","","","","","","0.944","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705285","25.767","0.002","4.6411","0.0004","25.931","0.002","90","","115.396","0.007","90","","2801.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 I3 N Pb -","- C9 H8 I3 N Pb -","- C72 H64 I24 N8 Pb8 -","8","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0583","0.04","","","0.0954","0.1017","","","","","","0.909","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705286","21.3526","0.0015","7.7783","0.0005","31.168","0.0002","90","","90","","90","","5176.6","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C144 H128 Br48 N16 Pb16 -","16","2","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0692","0.0412","","","0.0979","0.112","","","","","","0.912","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705287","25.845","0.002","4.654","0.0004","26.044","0.002","90","","115.392","0.007","90","","2830","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 I3 N Pb -","- C9 H8 I3 N Pb -","- C72 H64 I24 N8 Pb8 -","8","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0529","0.0299","","","0.0617","0.0662","","","","","","0.89","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705288","13.858","0.005","15.952","0.004","20.649","0.005","90","","90","","90","","4565","2","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H51 Mo9 N6 O43 V -","- C5 H51 Mo9 N6 O43 V -","- C20 H204 Mo36 N24 O172 V4 -","4","0.5","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.017","0.0168","","","0.0488","0.0489","","","","","","1.141","","","","has coordinates","257516","2020-10-21","18:00:00",""
"7705289","13.8761","0.0009","16.0198","0.001","20.6578","0.0013","90","","90","","90","","4592.1","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H51 Mo9 N6 O44 V -","- C5 H51 Mo9 N6 O44 V -","- C20 H204 Mo36 N24 O176 V4 -","4","0.5","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.0278","0.026","","","0.0677","0.0693","","","","","","1.075","","","","has coordinates,has disorder","257516","2020-10-21","18:00:00",""
"7705290","10.4969","0.0006","10.5584","0.0005","21.9105","0.0013","95.231","0.002","102.317","0.002","97.4","0.002","2335","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H53 Mo9 N6 O43 V -","- C6 H53 Mo9 N6 O43 V -","- C12 H106 Mo18 N12 O86 V2 -","2","1","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.0343","0.0322","","","0.083","0.0842","","","","","","1.116","","","","has coordinates","257516","2020-10-21","18:00:00",""
"7705291","39.725","0.002","16.7767","0.0009","7.7208","0.0004","90","","90.621","0.002","90","","5145.3","0.5","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","RuAQSA","","- C26 H25 Cl N2 O Ru -","- C26 H25 Cl N2 O Ru -","- C208 H200 Cl8 N16 O8 Ru8 -","8","1","","Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.","Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13294","13310","10.1039/d0dt02167a","","x-ray","0.71073","MoKα","","0.1057","0.0597","","","0.1223","0.1369","","","","","","1.028","","","","has coordinates","258871","2020-11-06","12:24:35",""
"7705292","32.1158","0.0018","4.7986","0.0003","22.4568","0.0014","90","","122.361","0.003","90","","2923.3","0.3","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","AQNA","","- C40 H30 N4 O3 -","- C40 H30 N4 O3 -","- C160 H120 N16 O12 -","4","0.5","","Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.","Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13294","13310","10.1039/d0dt02167a","","","0.71073","MoKα","","0.0792","0.0452","","","0.0964","0.1092","","","","","","1.031","","","","has coordinates","258871","2020-11-06","12:24:45",""
"7705293","20.1972","0.0012","17.0661","0.0009","7.6153","0.0004","90","","99.273","0.002","90","","2590.6","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RuAQNA","","- C30 H27 Cl N2 O Ru -","- C30 H27 Cl N2 O Ru -","- C120 H108 Cl4 N8 O4 Ru4 -","4","1","","Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.","Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13294","13310","10.1039/d0dt02167a","","x-ray","0.71073","MoKα","","0.0932","0.0536","","","0.1025","0.1136","","","","","","1.013","","","","has coordinates","258871","2020-11-06","12:24:48",""
"7705294","13.3509","0.0008","14.4698","0.0007","19.8148","0.0011","92.73","0.004","101.278","0.005","104.065","0.005","3623.2","0.4","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 N2 O46 S4 Si W12 -","- C42 H58 N2 O46 S4 Si W12 -","- C84 H116 N4 O92 S8 Si2 W24 -","2","1","","Kar, Aranya; Pradeep, Chullikkattil P.","Post-functionalization through covalent modification of organic counter ions: a stepwise and controlled approach for novel hybrid polyoxometalate materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12174","12179","10.1039/d0dt01410a","","x-ray","0.71073","MoKα","","0.0846","0.0602","","","0.1408","0.1625","","","","","","1.026","","","","has coordinates","257570","2020-10-21","18:00:00",""
"7705295","13.3411","0.0013","14.4694","0.0009","19.6679","0.0017","93.167","0.006","100.73","0.008","104.086","0.007","3597.9","0.5","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 Mo12 N2 O46 S4 Si -","- C42 H58 Mo12 N2 O46 S4 Si -","- C84 H116 Mo24 N4 O92 S8 Si2 -","2","1","","Kar, Aranya; Pradeep, Chullikkattil P.","Post-functionalization through covalent modification of organic counter ions: a stepwise and controlled approach for novel hybrid polyoxometalate materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12174","12179","10.1039/d0dt01410a","","x-ray","0.71073","MoKα","","0.1049","0.0812","","","0.203","0.2349","","","","","","1.074","","","","has coordinates","257570","2020-10-21","18:00:00",""
"7705296","18.675","0.002","10.7526","0.0012","19.19","0.003","90","","109.521","0.014","90","","3631.9","0.9","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Ag Cl N O4 P -","- C44 H32 Ag Cl N O4 P -","- C176 H128 Ag4 Cl4 N4 O16 P4 -","4","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.096","0.0488","","","0.0961","0.1146","","","","","","1.018","","","","has coordinates,has disorder","258860","2020-11-06","12:22:07",""
"7705297","18.6782","0.0008","17.1192","0.0005","16.1066","0.0007","90","","116.206","0.006","90","","4620.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H38 N2 O4 Pd2 -","- C56 H38 N2 O4 Pd2 -","- C224 H152 N8 O16 Pd8 -","4","0.5","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0506","0.0329","","","0.0741","0.0841","","","","","","1.011","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705298","7.845","0.0002","19.7471","0.0006","29.7999","0.001","90","","90","","90","","4616.5","0.2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O2 Pt -","- C31 H23 N O2 Pt -","- C248 H184 N8 O16 Pt8 -","8","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0574","0.0325","","","0.053","0.0596","","","","","","1.069","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705299","7.9934","0.0003","15.8415","0.0008","18.4651","0.0007","90","","100.105","0.004","90","","2301.92","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 Pd -","- C31 H23 N O2 Pd -","- C124 H92 N4 O8 Pd4 -","4","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.1089","0.0491","","","0.072","0.0903","","","","","","0.998","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705300","7.7315","0.0005","12.3683","0.0005","13.9478","0.0004","80.964","0.003","84.5","0.004","81.117","0.004","1297.91","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 I N O2 Pt -","- C32 H26 I N O2 Pt -","- C64 H52 I2 N2 O4 Pt2 -","2","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","x-ray","0.71073","MoKα","","0.0482","0.0356","","","0.0673","0.0751","","","","","","1.036","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705301","19.885","0.0004","15.3326","0.0003","7.25084","0.00018","90","","90","","90","","2210.7","0.08","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H19 N O Pd S2 -","- C28 H19 N O Pd S2 -","- C112 H76 N4 O4 Pd4 S8 -","4","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0416","0.0308","","","0.0608","0.0675","","","","","","1.068","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705302","21.9461","0.0013","13.7526","0.0007","27.5646","0.0014","90","","91.034","0.002","90","","8318.1","0.8","173","2","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4.97 H3.52 F0.73 Ir0.12 N0.61 O0.12 P0.12 -","- C4.9697 H3.51515 F0.727273 Ir0.121212 N0.606061 O0.121212 P0.121212 -","- C328 H232 F48 Ir8 N40 O8 P8 -","66","8.25","","Pei, Yu; Xie, Jiaxin; Cui, Dongxu; Liu, Shengnan; Li, Guangfu; Zhu, Dongxia; Su, Zhongmin","A mechanochromic cyclemetalated cationic Ir(iii) complex with AIE activity by strategic modification of ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13066","13071","10.1039/d0dt02526g","","","0.71073","MoKα","","0.0301","0.0252","","","0.0605","0.062","","","","","","1.13","","","","has coordinates,has disorder","257508","2020-10-21","18:00:00",""
"7705303","10.5032","0.0003","11.9399","0.0004","18.1307","0.0006","88.758","0.001","76.633","0.001","74.371","0.001","2128.33","0.12","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H25 F10 Ir N5 O P -","- C41 H25 F10 Ir N5 O P -","- C82 H50 F20 Ir2 N10 O2 P2 -","2","1","","Pei, Yu; Xie, Jiaxin; Cui, Dongxu; Liu, Shengnan; Li, Guangfu; Zhu, Dongxia; Su, Zhongmin","A mechanochromic cyclemetalated cationic Ir(iii) complex with AIE activity by strategic modification of ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13066","13071","10.1039/d0dt02526g","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","257508","2020-10-21","18:00:00",""
"7705304","24.8348","0.0011","24.8348","0.0011","12.1765","0.0005","90","","90","","120","","6503.9","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C14 H22 Cl2 N2 Pt -","- C14 H22 Cl2 N2 Pt -","- C168 H264 Cl24 N24 Pt12 -","12","1","","Bakhonsky, Vladyslav V.; Pashenko, Aleksander A.; Becker, Jonathan; Hausmann, Heike; De Groot, Huub J. M.; Overkleeft, Herman S.; Fokin, Andrey A.; Schreiner, Peter R.","Synthesis and antiproliferative activity of hindered, chiral 1,2-diaminodiamantane platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14009","14016","10.1039/d0dt02391d","","","0.71073","MoKα","","0.0323","0.0271","","","0.0618","0.0639","","","","","","1.047","","","","has coordinates","258839","2020-11-06","12:15:49",""
"7705305","9.7449","0.0003","8.4127","0.0003","9.7717","0.0003","90","","92.4679","0.0015","90","","800.35","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H28 Cl2 N2 O -","- C15 H28 Cl2 N2 O -","- C30 H56 Cl4 N4 O2 -","2","1","","Bakhonsky, Vladyslav V.; Pashenko, Aleksander A.; Becker, Jonathan; Hausmann, Heike; De Groot, Huub J. M.; Overkleeft, Herman S.; Fokin, Andrey A.; Schreiner, Peter R.","Synthesis and antiproliferative activity of hindered, chiral 1,2-diaminodiamantane platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14009","14016","10.1039/d0dt02391d","","","0.71073","MoKα","","0.0207","0.0189","","","0.0511","0.0516","","","","","","1.078","","","","has coordinates","258839","2020-11-06","12:16:00",""
"7705306","10.3048","0.0002","10.5005","0.0003","20.7712","0.0005","90","","93.033","0.002","90","","2244.41","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Mo(NtBu)2(tBu2DAD)]","1,4-ditertbutyl-1,4-diazabutadienyl-bis(tertbutylimido)molybdenum(VI)","","- C18 H38 Mo N4 -","- C18 H38 Mo N4 -","- C72 H152 Mo4 N16 -","4","1","","Wree, Jan-Lucas; Ciftyurek, Engin; Zanders, David; Boysen, Nils; Kostka, Aleksander; Rogalla, Detlef; Kasischke, Maren; Ostendorf, Andreas; Schierbaum, Klaus; Devi, Anjana","A new metalorganic chemical vapor deposition process for MoS<sub>2</sub> with a 1,4-diazabutadienyl stabilized molybdenum precursor and elemental sulfur.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13462","13474","10.1039/d0dt02471f","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0829","0.0838","","","","","","1.079","","","","has coordinates,has disorder","258864","2020-11-06","12:23:08",""
"7705307","14.65544","0.00011","16.40142","0.00013","16.48977","0.00014","90","","94.675","0.0007","90","","3950.46","0.05","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cl2 N4 O2 P2 Ru -","- C39 H51 Cl2 N4 O2 P2 Ru -","- C156 H204 Cl8 N16 O8 P8 Ru4 -","4","1","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0224","0.0202","","","0.0487","0.0494","","","","","","1.03","","","","has coordinates,has disorder","257548","2020-10-21","18:00:00",""
"7705308","11.71671","0.00013","13.94222","0.00015","25.594","0.0003","90","","94.7465","0.001","90","","4166.62","0.08","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36.73 H66.93 N4 O8.73 P2 Ru -","- C36.732 H66.928 N4 O8.732 P2 Ru -","- C146.928 H267.712 N16 O34.928 P8 Ru4 -","4","1","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0368","0.0322","","","0.0785","0.0803","","","","","","1.096","","","","has coordinates,has disorder","257548","2020-10-21","18:00:00",""
"7705309","23.71159","0.00019","16.43485","0.00011","16.9651","0.00014","90","","98.7499","0.0008","90","","6534.3","0.09","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H86 N8 O4 P4 Ru2 -","- C66 H86 N8 O4 P4 Ru2 -","- C264 H344 N32 O16 P16 Ru8 -","4","0.5","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0264","0.0237","","","0.0639","0.0654","","","","","","1.045","","","","has coordinates","257548","2020-10-21","18:00:00",""
"7705310","11.47028","0.00006","16.11962","0.00008","17.90744","0.00009","80.8486","0.0004","83.2392","0.0004","85.1904","0.0004","3238.98","0.03","94","2","94","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N4 O6 P2 Ru -","- C30 H48 N4 O6 P2 Ru -","- C120 H192 N16 O24 P8 Ru4 -","4","2","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0226","0.0206","","","0.0512","0.0518","","","","","","1.05","","","","has coordinates","257548","2020-10-21","18:00:00",""
"7705311","13.2414","0.0013","22.0413","0.0019","27.359","0.003","90","","90.219","0.004","90","","7984.9","1.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H51 N8 O7 Yb -","- C39 H51 N8 O7 Yb -","- C312 H408 N64 O56 Yb8 -","8","1","","Buch, Christian D.; Mitcov, Dmitri; Piligkos, Stergios","Lanthanide cryptate monometallic coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13557","13565","10.1039/d0dt02448a","","","0.71073","MoKα","","0.0438","0.0315","","","0.0578","0.0609","","","","","","1.148","","","","has coordinates,has disorder","258832","2020-11-06","12:12:45",""
"7705312","20.0632","0.0012","12.0672","0.001","42.305","0.004","90","","95.794","0.002","90","","10190","1.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49.5 K4 N6.5 P2 -","- C57 H49.5 K4 N6.5 P2 -","- C456 H396 K32 N52 P16 -","8","2","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0342","0.0326","","","0.0827","0.0835","","","","","","1.034","","","","has coordinates","258830","2020-11-06","12:12:16",""
"7705313","24.456","0.003","18.0393","0.0016","19.45","0.003","90","","113.125","0.007","90","","7891.3","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 Fe N6 P -","- C43 H39 Fe N6 P -","- C344 H312 Fe8 N48 P8 -","8","2","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.1942","0.0891","","","0.1954","0.2417","","","","","","1.03","","","","has coordinates","258830","2020-11-06","12:12:16",""
"7705314","16.461","0.0006","20.7224","0.0006","26.5518","0.0007","78.716","0.001","75.774","0.001","88.674","0.001","8606.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C384 H352 Cu8 K8 N56 P8 -","- C384 H352 Cu8 K8 N56 P8 -","- C384 H352 Cu8 K8 N56 P8 -","1","0.5","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0964","0.0587","","","0.1538","0.1749","","","","","","1.019","","","","has coordinates,has disorder","258830","2020-11-06","12:12:16",""
"7705315","24.314","0.003","17.888","0.002","19.297","0.002","90","","113.027","0.003","90","","7724.1","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.8 H43.2 N6 Ni P -","- C44.8 H43.2 N6 Ni P -","- C358.4 H345.6 N48 Ni8 P8 -","8","2","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.1954","0.0877","","","0.1806","0.232","","","","","","1.034","","","","has coordinates","258830","2020-11-06","12:12:16",""
"7705316","17.8742","0.0012","18.1808","0.0012","19.8655","0.0013","109.771","0.003","108.424","0.002","95.566","0.001","5611.4","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C119.5 H140 Fe K2 N7 O20.5 P2 -","- C119.5 H140 Fe K2 N7 O20.5 P2 -","- C239 H280 Fe2 K4 N14 O41 P4 -","2","1","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.1356","0.0641","","","0.1423","0.1715","","","","","","1.017","","","","has coordinates,has disorder","258830","2020-11-06","12:12:16",""
"7705317","24.8978","0.0005","13.9828","0.0003","33.8978","0.0007","90","","110.867","0.001","90","","11027.2","0.4","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C53 H72 Cu K N5 O9 P2 -","- C53 H72 Cu K N5 O9 P2 -","- C424 H576 Cu8 K8 N40 O72 P16 -","8","1","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0658","0.044","","","0.1222","0.1358","","","","","","1.034","","","","has coordinates,has disorder","258830","2020-11-06","12:12:16",""
"7705318","9.0809","0.0007","9.9667","0.0009","14.8247","0.0013","89.447","0.002","89.918","0.002","87.141","0.002","1340","0.2","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H42 Si5 -","- C19 H42 Si5 -","- C38 H84 Si10 -","2","1","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0586","0.0497","","","0.129","0.1327","","","","","","1.078","","","","has coordinates","258861","2020-11-06","12:22:32",""
"7705319","9.545","0.0004","14.1726","0.0006","10.4229","0.0004","90","","103.274","0.002","90","","1372.31","0.1","142","2","142","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Si5 -","- C21 H46 Si5 -","- C42 H92 Si10 -","2","0.5","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0349","0.0269","","","0.0744","0.079","","","","","","1.052","","","","has coordinates","258861","2020-11-06","12:22:32",""
"7705320","40.367","0.013","9.976","0.003","16.657","0.005","90","","99.403","0.019","90","","6618","4","142","2","142","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 N2 Si5 -","- C26 H54 N2 Si5 -","- C208 H432 N16 Si40 -","8","1","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0505","0.0329","","","0.0829","0.092","","","","","","1.018","","","","has coordinates","258861","2020-11-06","12:22:32",""
"7705321","10.7576","0.0004","34.3258","0.0013","11.0315","0.0004","90","","111.67","0.001","90","","3785.6","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H62 N2 Si6 -","- C29 H62 N2 Si6 -","- C116 H248 N8 Si24 -","4","1","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0864","0.0736","","","0.1595","0.1648","","","","","","1.183","","","","has coordinates,has disorder","258861","2020-11-06","12:22:32",""
"7705322","11.3826","0.0003","21.696","0.0009","7.4517","0.0003","90","","90.222","0.001","90","","1840.23","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Das, Krishna Sundar; Saha, Sayan; Roy, Manasi; Mondal, Raju","A free-standing, self-healing multi-stimuli responsive gel showing cryogenic magnetic cooling.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13487","13495","10.1039/d0dt02356f","","","0.71073","MoKα","","0.0207","0.0203","","","0.0571","0.0573","","","","","","1.015","","","","has coordinates","258859","2020-11-06","12:21:53",""
"7705323","12.498","0.003","13.003","0.003","14.074","0.003","103.95","0.03","112.74","0.03","100.61","0.03","1946.5","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl7 Mn0.5 N4 O6 -","- C32 H34 Cl7 Mn0.5 N4 O6 -","- C64 H68 Cl14 Mn N8 O12 -","2","1","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.71073","MoKα","","0.0995","0.0636","","","0.1652","0.181","","","","","","1.097","","","","has coordinates","258872","2020-11-06","12:24:59",""
"7705324","9.967","0.002","12.819","0.003","13.148","0.003","77.75","0.03","85.95","0.03","69.83","0.03","1541","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","1","0.5","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.71073","MoKα","","0.0809","0.0591","","","0.1608","0.1765","","","","","","1.072","","","","has coordinates,has disorder","258872","2020-11-06","12:25:00",""
"7705325","12.5124","0.0001","13.0339","0.0001","13.9531","0.0001","102.785","0.001","111.77","0.001","102.82","0.001","1941.32","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H76 Cl8 Mn N10 O16 -","- C74 H76 Cl8 Mn N10 O16 -","- C74 H76 Cl8 Mn N10 O16 -","1","0.5","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.82656","Synchrotron","","0.0799","0.079","","","0.2092","0.2101","","","","","","1.078","","","","has coordinates","258872","2020-11-06","12:25:00",""
"7705326","12.34","0.03","22.76","0.07","11.13","0.02","90","","106.49","0.14","90","","2997","13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H74 Cl2 Mn N10 O14 -","- C72 H74 Cl2 Mn N10 O14 -","- C144 H148 Cl4 Mn2 N20 O28 -","2","0.5","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","1.54178","CuKα","","0.0931","0.0778","","","0.2327","0.2482","","","","","","1.042","","","","has coordinates","258872","2020-11-06","12:25:00",""
"7705327","9.715","0.005","12.84","0.005","13.069","0.005","77.6","0.005","85.9","0.005","69.6","0.005","1492.3","1.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","1","1","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.71073","MoKα","","0.0567","0.0507","","","0.1206","0.1278","","","","","","1.045","","","","has coordinates","258872","2020-11-06","12:25:00",""
"7705328","5.6217","0.0002","6.9511","0.0002","13.1285","0.0004","102.124","0.001","92.883","0.001","94.665","0.001","498.72","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Tetrameric Silverphosphonate","","","- C4 H10 Ag2 N O7 P2 -","- C4 H10 Ag2 N O7 P2 -","- C8 H20 Ag4 N2 O14 P4 -","2","1","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0289","0.0246","","","0.077","0.0941","","","","","","1.286","","","","has coordinates","258831","2020-11-06","12:12:26",""
"7705329","5.7341","0.0003","13.4208","0.0008","13.6754","0.0008","80.861","0.001","87.591","0.002","78.768","0.002","1019.08","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Pentameric Silverphosphonate","","","- C6 H16 Ag5 N O16 P4 -","- C6 H15 Ag5 N O16 P4 -","- C12 H30 Ag10 N2 O32 P8 -","2","1","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0495","0.0343","","","0.1015","0.1305","","","","","","1.21","","","","has coordinates","258831","2020-11-06","12:12:35",""
"7705330","13.7091","0.0004","18.1676","0.0005","7.1474","0.0002","90","","93.851","0.001","90","","1776.12","0.09","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","Dimeric Silverphosphonate","","","- C12 H16 Ag2 N2 O9 P2 -","- C12 H16 Ag2 N2 O9 P2 -","- C48 H64 Ag8 N8 O36 P8 -","4","1","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0529","0.0335","","","0.0804","0.1161","","","","","","1.177","","","","has coordinates","258831","2020-11-06","12:12:35",""
"7705331","5.4579","0.0005","10.4871","0.0009","13.0653","0.0012","90","","92.13","0.003","90","","747.31","0.12","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","1D Silver diphosphonate","","","- C11 H10 Ag N2 O8 P2 -","- C11 H10 Ag N2 O8 P2 -","- C22 H20 Ag2 N4 O16 P4 -","2","0.5","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0532","0.0501","","","0.126","0.1319","","","","","","1.348","","","","has coordinates","258831","2020-11-06","12:12:35",""
"7705332","15.3334","0.0004","11.384","0.0003","27.2807","0.0006","90","","90","","90","","4762","0.2","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","IB-305","","- C22 H21 N3 O2 P2 S4 -","- C22 H21 N3 O2 P2 S4 -","- C176 H168 N24 O16 P16 S32 -","8","2","","Begum, Imtiaz; Kalisch, Tim; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Streubel, Rainer","[4 + 2]-Cycloadditions of a thiazol-based tricyclic 1,4-diphosphinine and a new easy 1,4-diphosphinine protection deprotection strategy.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12776","12779","10.1039/d0dt02529a","","","1.54178","CuKα","","0.1461","0.0954","","","0.2203","0.2659","","","","","","1.022","","","","has coordinates","257546","2020-10-21","18:00:00",""
"7705333","10.1125","0.0006","10.126","0.0006","11.907","0.0007","77.826","0.003","75.301","0.003","89.011","0.003","1151.99","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","IB-282","","- C18 H20 N2 O4 P2 S4 -","- C18 H20 N2 O4 P2 S4 -","- C36 H40 N4 O8 P4 S8 -","2","1","","Begum, Imtiaz; Kalisch, Tim; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Streubel, Rainer","[4 + 2]-Cycloadditions of a thiazol-based tricyclic 1,4-diphosphinine and a new easy 1,4-diphosphinine protection deprotection strategy.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12776","12779","10.1039/d0dt02529a","","","0.71073","MoKα","","0.071","0.0515","","","0.1003","0.1105","","","","","","1.061","","","","has coordinates","257546","2020-10-21","18:00:00",""
"7705334","13.4913","0.0001","14.3806","0.0001","17.9191","0.0001","90","","106.452","0.001","90","","3334.2","0.04","149.99","0.1","149.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H26 Ag Au B2 F8 N8 -","- C20 H26 Ag Au B2 F8 N8 -","- C80 H104 Ag4 Au4 B8 F32 N32 -","4","0.5","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","","1.54184","CuKα","","0.022","0.0217","","","0.0593","0.0595","","","","","","1.084","","","","has coordinates,has disorder","257549","2020-10-21","18:00:00",""
"7705335","6.8428","0.0006","11.523","0.0005","17.2878","0.0015","90","","124.136","0.012","90","","1128.3","0.2","133","0.4","133","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 I2 N8 -","- C18 H26 I2 N8 -","- C36 H52 I4 N16 -","2","0.5","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","x-ray","1.54184","CuKα","","0.0324","0.0296","","","0.0799","0.0842","","","","","","1.03","","","","has coordinates","257549","2020-10-21","18:00:00",""
"7705336","8.7261","0.0001","9.4766","0.0001","9.6253","0.0001","82.356","0.001","67.847","0.001","85.319","0.001","730.215","0.015","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Ag2 B2 F8 N8 -","- C22 H32 Ag2 B2 F8 N8 -","- C22 H32 Ag2 B2 F8 N8 -","1","0.5","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","","1.54184","CuKα","","0.0266","0.0266","","","0.0702","0.0702","","","","","","1.114","","","","has coordinates","257549","2020-10-21","18:00:00",""
"7705337","10.7465","0.0002","11.4653","0.0002","12.0732","0.0002","65.809","0.002","85.874","0.002","80.854","0.002","1339.64","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Au Br2 N8 -","- C20 H29 Au Br2 N8 -","- C40 H58 Au2 Br4 N16 -","2","1","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","","1.54184","CuKα","","0.035","0.0347","","","0.093","0.0932","","","","","","1.04","","","","has coordinates","257549","2020-10-21","18:00:00",""
"7705338","10.4121","0.0005","11.953","0.0005","12.0119","0.0005","109.897","0.004","111.317","0.004","100.11","0.004","1230.75","0.12","100","11","100","11","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Au N3 O P -","- C30 H23 Au N3 O P -","- C60 H46 Au2 N6 O2 P2 -","2","1","","Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.","Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13430","13439","10.1039/d0dt02583f","","","0.71073","MoKα","","0.0341","0.03","","","0.0596","0.062","","","","","","1.051","","","","has coordinates","258865","2020-11-06","12:23:17",""
"7705339","8.5575","0.0003","10.8642","0.0005","21.2885","0.0008","90","","91.365","0.004","90","","1978.64","0.14","100","11","100","11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Au N3 P -","- C23 H17 Au N3 P -","- C92 H68 Au4 N12 P4 -","4","1","","Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.","Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13430","13439","10.1039/d0dt02583f","","","0.71073","MoKα","","0.0552","0.0398","","","0.069","0.0767","","","","","","1.018","","","","has coordinates","258865","2020-11-06","12:23:18",""
"7705340","15.214","0.0002","15.214","0.0002","19.3663","0.0002","90","","90","","120","","3882.08","0.08","100","0.11","100","0.11","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","1","0.166667","","Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.","Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13430","13439","10.1039/d0dt02583f","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0902","0.0922","","","","","","1.135","","","","has coordinates,has disorder","258865","2020-11-06","12:23:18",""
"7705341","9.96","0.005","10.21","0.005","12.06","0.005","102.901","0.005","100.793","0.005","113.618","0.005","1041.4","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H18.5 Cu N1.5 O5.5 S2 -","- C18.5 H18.5 Cu N1.5 O5.5 S2 -","- C37 H37 Cu2 N3 O11 S4 -","2","1","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","","0.82653","synchrotron","","0.0753","0.071","","","0.2098","0.2146","","","","","","1.055","","","","has coordinates,has disorder","257502","2020-10-21","18:00:00",""
"7705342","10.39","0.006","21.68","0.006","21.91","0.006","115.86","0.05","103.91","0.05","93.65","0.05","4230","4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28.33 Cu2 N2.33 O8.33 S4 -","- C39 H28.3333 Cu2 N2.33333 O8.33333 S4 -","- C117 H85 Cu6 N7 O25 S12 -","3","1.5","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","","0.82643","synchrotron","","0.163","0.0974","","","0.267","0.3117","","","","","","0.941","","","","has coordinates","257502","2020-10-21","18:00:00",""
"7705343","24.3747","0.0007","13.9313","0.0003","18.9465","0.0007","90","","111.435","0.004","90","","5988.7","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cu N2 O5 S2 -","- C22 H19 Cu N2 O5 S2 -","- C176 H152 Cu8 N16 O40 S16 -","8","1","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","x-ray","0.71073","MoKα","","0.0747","0.0618","","","0.1754","0.1834","","","","","","1.049","","","","has coordinates","257502","2020-10-21","18:00:00",""
"7705344","8.9361","0.0004","24.696","0.0015","10.4597","0.0004","90","","110.946","0.004","90","","2155.77","0.19","180","","180","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H24 Cu2 N6 O10 S2 -","- C34 H24 Cu2 N6 O10 S2 -","- C68 H48 Cu4 N12 O20 S4 -","2","0.5","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","x-ray","0.71073","MoKα","","0.1039","0.088","","","0.2652","0.2797","","","","","","1.068","","","","has coordinates,has disorder","257502","2020-10-21","18:00:00",""
"7705345","11.8572","0.0003","13.8306","0.0003","14.3293","0.0003","74.4373","0.0018","89.4963","0.0017","80.0332","0.0019","2227.82","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H51 O20 Ru4 -","- C36 H51 O20 Ru4 -","- C72 H102 O40 Ru8 -","2","1","","Bera, Sudip Kumar; Lahiri, Goutam Kumar","Unprecedented metal-metal bonded {Ru<sub>4</sub>(μ<sub>3</sub>-O)<sub>2</sub>} butterfly core in oxido-carboxylato bridged mixed valence cluster-structural elucidation and electronic forms in accessible redox states.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13573","13581","10.1039/d0dt02741c","","x-ray","0.71073","MoKα","","0.0582","0.0438","","","0.091","0.099","","","","","","1.049","","","","has coordinates","258828","2020-11-06","12:11:40",""
"7705346","6.2746","0.0004","7.5373","0.0005","13.4783","0.0008","90.519","0.001","100.645","0.001","113.523","0.001","571.98","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B8 Gd Na3 O15 -","- B8 Gd Na3 O15 -","- B16 Gd2 Na6 O30 -","2","1","","Zhao, Dan; Li, Ya-Nan; Fan, Yan-Ping; Liu, Bao-Zhong; Zhang, Shi-Rui; Zhang, Rui-Juan","Crystal structure, theoretical studies and luminescent properties of a new borate Na<sub>3</sub>GdB<sub>8</sub>O<sub>15</sub> with one-dimensional broad-banded anionic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13167","13175","10.1039/d0dt02586k","","","0.71073","MoKα","","0.021","0.019","","","0.0423","0.0431","","","","","","1.061","","","","has coordinates","257510","2020-10-21","18:00:00",""
"7705347","12.064","0.015","6.135","0.007","12.744","0.016","90","","114.742","0.012","90","","856.6","1.8","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 As O -","- C21 H17 As O -","- C42 H34 As2 O2 -","2","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0385","0.0314","","","0.0647","0.068","","","","","","1.015","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705348","15.323","0.004","6.0864","0.0014","18.537","0.005","90","","102.156","0.014","90","","1690","0.7","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 As O -","- C21 H17 As O -","- C84 H68 As4 O4 -","4","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0706","0.0398","","","0.0842","0.0999","","","","","","1.064","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705349","10.302","0.003","6.1145","0.0014","14.508","0.003","90","","105.269","0.011","90","","881.6","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 As N -","- C22 H20 As N -","- C44 H40 As2 N2 -","2","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0403","0.0298","","","0.0551","0.0592","","","","","","0.973","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705350","10.0436","0.0008","17.2646","0.0014","17.3187","0.0014","90","","105.201","0.004","90","","2898","0.4","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cu N5 O5 -","- C27 H29 Cu N5 O5 -","- C108 H116 Cu4 N20 O20 -","4","1","","Menzel, Saskia; Millan, Simon; Höfert, Simon-Patrick; Nuhnen, Alexander; Gökpinar, Serkan; Schmitz, Alexa; Janiak, Christoph","Increase of network hydrophilicity from sql to lvt supramolecular isomers of Cu-MOFs with the bifunctional 4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)benzoate linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12854","12864","10.1039/d0dt02642e","","","0.71073","MoKα","","0.1003","0.0909","","","0.2338","0.238","","","","","","1.181","","","","has coordinates","257540","2020-10-21","18:00:00",""
"7705351","23.2432","0.0012","23.2432","0.0012","11.913","0.0007","90","","90","","90","","6436","0.6","140","2","140","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H39.94 Cu N4 O12.96 -","- C24 H39.936 Cu N4 O12.968 -","- C192 H319.488 Cu8 N32 O103.744 -","8","0.5","","Menzel, Saskia; Millan, Simon; Höfert, Simon-Patrick; Nuhnen, Alexander; Gökpinar, Serkan; Schmitz, Alexa; Janiak, Christoph","Increase of network hydrophilicity from sql to lvt supramolecular isomers of Cu-MOFs with the bifunctional 4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)benzoate linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12854","12864","10.1039/d0dt02642e","","","0.71073","MoKα","","0.042","0.0395","","","0.1088","0.1103","","","","","","1.138","","","","has coordinates,has disorder","257540","2020-10-21","18:00:00",""
"7705352","9.7946","0.001","19.5794","0.0017","14.8975","0.0014","90","","103.587","0.005","90","","2777","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu N6 O4 -","- C28 H28 Cu N6 O4 -","- C112 H112 Cu4 N24 O16 -","4","1","","Menzel, Saskia; Millan, Simon; Höfert, Simon-Patrick; Nuhnen, Alexander; Gökpinar, Serkan; Schmitz, Alexa; Janiak, Christoph","Increase of network hydrophilicity from sql to lvt supramolecular isomers of Cu-MOFs with the bifunctional 4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)benzoate linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12854","12864","10.1039/d0dt02642e","","","0.71073","MoKα","","0.0485","0.0358","","","0.1022","0.1113","","","","","","1.034","","","","has coordinates","257540","2020-10-21","18:00:00",""
"7705353","12.5644","0.001","16.294","0.0013","20.5464","0.0014","105.056","0.003","90.827","0.004","97.901","0.004","4017.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H59 Cl Ga N2 Sb -","- C41 H59 Cl Ga N2 Sb -","- C164 H236 Cl4 Ga4 N8 Sb4 -","4","2","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0497","0.0349","","","0.075","0.0821","","","","","","1.021","","","","has coordinates","255905","2020-10-21","18:00:00",""
"7705354","19.112","0.003","13.617","0.002","21.17","0.004","90","","99.737","0.003","90","","5430.1","1.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H78 B Cl Ga N4 O Sb -","- C55 H78 B Cl Ga N4 O Sb -","- C220 H312 B4 Cl4 Ga4 N16 O4 Sb4 -","4","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0639","0.0367","","","0.069","0.0782","","","","","","1.053","","","","has coordinates","255905","2020-10-21","18:00:00",""
"7705355","9.861","0.003","19.979","0.006","20.39","0.006","90","","103.101","0.014","90","","3913","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H60 Cl Ga N3 Sb Si2 -","- C35 H60 Cl Ga N3 Sb Si2 -","- C140 H240 Cl4 Ga4 N12 Sb4 Si8 -","4","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0555","0.0292","","","0.0685","0.0825","","","","","","1.026","","","","has coordinates,has disorder","255905","2020-10-21","18:00:00",""
"7705356","10.996","0.005","12.777","0.005","13.167","0.005","80.538","0.005","72.079","0.005","71.39","0.005","1663.6","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 Cl Co N3 P2 -","- C40 H33 Cl Co N3 P2 -","- C80 H66 Cl2 Co2 N6 P4 -","2","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71069","MoKα","","0.1191","0.0954","","","0.2659","0.2808","","","","","","1.142","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705357","9.6072","0.0016","17.588","0.003","17.717","0.003","90","","101.736","0.003","90","","2931.1","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 Co N2 P2 -","- C38 H29 Co N2 P2 -","- C152 H116 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71075","MoKα","","0.0323","0.0279","","","0.0709","0.0731","","","","","","1.073","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705358","9.1277","0.0013","12.3182","0.0018","26.862","0.004","90","","90","","90","","3020.3","0.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 Co N2 P2 -","- C38 H31 Co N2 P2 -","- C152 H124 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71075","MoKα","","0.0734","0.0488","","","0.1203","0.1373","","","","","","0.843","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705359","15.4631","0.0012","12.4153","0.0011","18.898","0.0012","90","","103.596","0.008","90","","3526.4","0.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 Co N2 P2 Si -","- C42 H39 Co N2 P2 Si -","- C168 H156 Co4 N8 P8 Si4 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71073","MoKα","","0.1227","0.0577","","","0.117","0.1564","","","","","","1.024","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705360","21.982","0.002","14.2942","0.0008","22.987","0.002","90","","114.71","0.007","90","","6561.5","1","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H100 Cl2 N4 O2 Si2 Ti2 -","- C64 H100 Cl2 N4 O2 Si2 Ti2 -","- C256 H400 Cl8 N16 O8 Si8 Ti8 -","4","0.5","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1612","0.0753","","","0.1655","0.1988","","","","","","1.027","","","","has coordinates","258837","2020-11-06","12:14:29",""
"7705361","9.9454","0.0004","10.32","0.0005","27.9616","0.001","100.356","0.003","91.107","0.003","95.68","0.003","2807.2","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H95 Cl N2 O2 P2 Si Ti -","- C55 H95 Cl N2 O2 P2 Si Ti -","- C110 H190 Cl2 N4 O4 P4 Si2 Ti2 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1363","0.0963","","","0.2533","0.2881","","","","","","1.043","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705362","23.6443","0.0016","18.6688","0.0007","19.2429","0.001","90","","109.089","0.005","90","","8027","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H64 Cl N2 O2 Ti -","- C43 H64 Cl N2 O2 Ti -","- C344 H512 Cl8 N16 O16 Ti8 -","8","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1299","0.0709","","","0.1875","0.214","","","","","","1.069","","","","has coordinates,has disorder","258837","2020-11-06","12:14:30",""
"7705363","9.736","0.0002","27.4049","0.0006","19.8324","0.0003","90","","96.612","0.001","90","","5256.37","0.18","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 Cl N2 O2 P2 Si Ti -","- C50 H84 Cl N2 O2 P2 Si Ti -","- C200 H336 Cl4 N8 O8 P8 Si4 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.0973","0.056","","","0.1329","0.156","","","","","","1.025","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705364","16.9626","0.0009","11.7424","0.0006","19.4368","0.001","90","","98.64","0.004","90","","3827.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H60 Cl N2 O2 Ti -","- C41 H60 Cl N2 O2 Ti -","- C164 H240 Cl4 N8 O8 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1222","0.0548","","","0.1194","0.1383","","","","","","1.009","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705365","17.3918","0.0007","10.785","0.0003","21.7583","0.0009","90","","100.543","0.003","90","","4012.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H56 Cl N2 O2 Ti -","- C45 H56 Cl N2 O2 Ti -","- C180 H224 Cl4 N8 O8 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1451","0.0621","","","0.1209","0.1435","","","","","","1.015","","","","has coordinates,has disorder","258837","2020-11-06","12:14:30",""
"7705366","11.8988","0.0004","22.2268","0.0008","22.0748","0.0007","88.458","0.003","84.52","0.003","74.716","0.003","5605.9","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H78 N2 O3 Si Ti -","- C58 H66 N2 O3 Si Ti -","- C232 H264 N8 O12 Si4 Ti4 -","4","2","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.2241","0.0915","","","0.2188","0.2846","","","","","","0.961","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705367","21.14124","0.00015","22.83951","0.00017","20.55852","0.00015","90","","90.3997","0.0007","90","","9926.55","0.13","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cr F18 N10 P3 -","- C44 H38 Cr F18 N10 P3 -","- C352 H304 Cr8 F144 N80 P24 -","8","2","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0659","0.0542","","","0.1505","0.1579","","","","","","1.065","","","","has coordinates","258826","2020-11-06","12:10:58",""
"7705368","13.1076","0.0005","13.846","0.0005","14.7792","0.0005","100.865","0.003","90.278","0.003","108.118","0.003","2497.76","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H35 Cr F9 N7 O10 S3 -","- C52 H35 Cr F9 N7 O10 S3 -","- C104 H70 Cr2 F18 N14 O20 S6 -","2","1","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0516","0.05","","","0.1271","0.1283","","","","","","1.041","","","","has coordinates","258826","2020-11-06","12:10:59",""
"7705369","12.5368","0.0002","12.0583","0.0002","13.3923","0.0002","90","","103.77","0.002","90","","1966.36","0.06","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Cl3 Cr N3 -","- C23 H15 Cl3 Cr N3 -","- C92 H60 Cl12 Cr4 N12 -","4","0.5","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0232","0.023","","","0.0686","0.0688","","","","","","1.074","","","","has coordinates","258826","2020-11-06","12:10:59",""
"7705370","17.10349","0.00006","17.98863","0.00008","28.79512","0.00012","90","","90","","90","","8859.35","0.06","149.99","0.1","149.99","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C42.17 H32 Cr F17.48 N8 O0.52 P2.83 S0.17 -","- C42.174 H32 Cr F17.478 N8 O0.522 P2.826 S0.174 -","- C337.392 H256 Cr8 F139.824 N64 O4.176 P22.608 S1.392 -","8","1","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0459","0.0452","","","0.12","0.1206","","","","","","1.04","","","","has coordinates,has disorder","258826","2020-11-06","12:10:59",""
"7705371","7.662","0.003","11.728","0.004","13.861","0.005","66.772","0.005","88.819","0.005","83.752","0.005","1137.4","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Cu2 N10 O10 -","- C52 H26 Cu2 N10 O10 -","- C52 H26 Cu2 N10 O10 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.1484","0.0741","","","0.1621","0.1948","","","","","","0.939","","","","has coordinates","258824","2020-11-06","12:10:27",""
"7705372","7.6549","0.0006","11.8774","0.001","14.2863","0.0012","66.863","0.002","85.137","0.002","82.646","0.002","1183.77","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Cu2 N8 O16 -","- C48 H30 Cu2 N8 O16 -","- C48 H30 Cu2 N8 O16 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.0705","0.0573","","","0.1462","0.1528","","","","","","1.05","","","","has coordinates","258824","2020-11-06","12:10:28",""
"7705373","7.728","0.003","15.278","0.005","15.982","0.006","67.547","0.005","88.845","0.005","85.603","0.005","1738.7","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H56 Cu2 N10 O14 -","- C78 H56 Cu2 N10 O14 -","- C78 H56 Cu2 N10 O14 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.1787","0.0837","","","0.1863","0.2203","","","","","","1.009","","","","has coordinates,has disorder","258824","2020-11-06","12:10:28",""
"7705374","9.968","0.008","11.307","0.009","24.796","0.019","96.56","0.03","90.82","0.03","103.37","0.03","2699","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H104 Cu5 N18 O30 -","- C106 H82 Cu5 N18 O30 -","- C106 H82 Cu5 N18 O30 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.2587","0.1264","","","0.264","0.3007","","","","","","1.103","","","","has coordinates","258824","2020-11-06","12:10:28",""
"7705375","7.4682","0.0015","12.244","0.002","23.789","0.005","90","","92.242","0.006","90","","2173.6","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cl2 Cu2 N8 O12 -","- C46 H32 Cl2 Cu2 N8 O12 -","- C92 H64 Cl4 Cu4 N16 O24 -","2","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.1518","0.061","","","0.1133","0.1332","","","","","","0.948","","","","has coordinates,has disorder","258824","2020-11-06","12:10:28",""
"7705376","14.2183","0.0011","14.223","0.0009","15.4574","0.0011","102.252","0.001","92.172","0.001","110.834","0.001","2832.9","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H56 F18 O3 P2 Pd -","- C56.5 H56 F18 O3 P2 Pd -","- C113 H112 F36 O6 P4 Pd2 -","2","1","","Sato, Ryota; Kanbara, Takaki; Kuwabara, Junpei","Air-stable Pd(0) catalyst bearing dual phosphine ligands: a detailed evaluation of air stability and catalytic property in cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12814","12819","10.1039/d0dt02744h","","","0.71069","MoKα","","0.048","0.0451","","","0.1155","0.1185","","","","","","1.059","","","","has coordinates","257547","2020-10-21","18:00:00",""
"7705377","11.409","0.0003","20.0988","0.0005","12.0473","0.0002","90","","92.607","0.002","90","","2759.67","0.11","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 B F2 N4 O4 S2 -","- C31 H23 B F2 N4 O4 S2 -","- C124 H92 B4 F8 N16 O16 S8 -","4","0.5","","Kumar, Chandan; Agrawal, Abhijeet R.; Ghosh, Nani Gopal; Karmakar, Himadri S.; Das, Sarasija; Kumar, Neha Rani; Banewar, Vishal W.; Zade, Sanjio S.","Boron difluoride formazanates with thiophene and 3,4-ethylenedioxythiophene capping and their electrochemical polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13202","13206","10.1039/d0dt02905j","","","1.54184","CuKα","","0.0399","0.0373","","","0.111","0.1139","","","","","","1.087","","","","has coordinates,has disorder","258863","2020-11-06","12:23:00",""
"7705378","16.4124","0.0008","18.4546","0.001","27.6735","0.0012","90","","90","","90","","8381.9","0.7","150","2","150","2","","","","","","","synthesis as described","5","I b c a","-I 2b 2c","73","","","","- C42 H68 Ca N2 O6 -","- C42 H68 Ca N2 O6 -","- C336 H544 Ca8 N16 O48 -","8","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0537","0.0421","","","0.1008","0.11","","","","","","0.811","","","","has coordinates,has disorder","257509","2020-10-21","18:00:00",""
"7705379","21.6408","0.0016","8.7328","0.0008","14.8071","0.0013","90","","112.57","0.003","90","","2584","0.4","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 F12 N2 O6 Sr -","- C20 H28 F12 N2 O6 Sr -","- C80 H112 F48 N8 O24 Sr4 -","4","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0208","0.0187","","","0.0461","0.0469","","","","","","1.066","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705380","32.4903","0.0007","14.7726","0.0004","18.2963","0.0004","90","","95.796","0.001","90","","8736.7","0.4","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Ca N2 O6 -","- C44 H72 Ca N2 O6 -","- C352 H576 Ca8 N16 O48 -","8","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0479","0.038","","","0.0958","0.1025","","","","","","1.001","","","","has coordinates,has disorder","257509","2020-10-21","18:00:00",""
"7705381","20.8202","0.0016","8.6412","0.0008","21.2767","0.0018","90","","119.027","0.003","90","","3347.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ba Cl4 F12 N2 O6 -","- C22 H32 Ba Cl4 F12 N2 O6 -","- C88 H128 Ba4 Cl16 F48 N8 O24 -","4","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.026","0.0232","","","0.0567","0.0577","","","","","","1.104","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705382","19.7814","0.0019","8.955","0.0008","18.2461","0.0018","90","","95.159","0.003","90","","3219.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ca Cl4 F12 N2 O6 -","- C22 H32 Ca Cl4 F12 N2 O6 -","- C88 H128 Ca4 Cl16 F48 N8 O24 -","4","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0461","0.0356","","","0.0802","0.0852","","","","","","1.046","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705383","12.214","0.003","10.364","0.002","23.048","0.005","90","","99.28","0.008","90","","2879.4","1.1","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Ba2 F24 N4 O12 -","- C44 H64 Ba2 F24 N4 O12 -","- C88 H128 Ba4 F48 N8 O24 -","2","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0574","0.0489","","","0.1107","0.1137","","","","","","1.4","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705384","11.5178","0.0011","12.8516","0.0012","13.4163","0.001","93.561","0.003","112.062","0.003","99.661","0.003","1797.3","0.3","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H34 Cl6 F12 N2 O7 Sr -","- C21 H34 Cl6 F12 N2 O7 Sr -","- C42 H68 Cl12 F24 N4 O14 Sr2 -","2","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0623","0.0464","","","0.1037","0.1124","","","","","","1.034","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705385","6.6356","0.0008","12.769","0.0014","15.2327","0.0015","68.157","0.003","84.686","0.003","83.583","0.004","1188.7","0.2","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H26 F12 N2 O5 -","- C18 H26 F12 N2 O5 -","- C36 H52 F24 N4 O10 -","2","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0624","0.0509","","","0.1306","0.1394","","","","","","1.06","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705386","5.5168","0.0009","10.777","0.002","12.424","0.003","114.82","0.008","95.801","0.007","99.354","0.008","649.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H30 F12 N2 O6 -","- C20 H30 F12 N2 O6 -","- C20 H30 F12 N2 O6 -","1","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.1366","0.0688","","","0.1474","0.177","","","","","","1.019","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705387","18.982","0.002","10.4417","0.0012","14.3738","0.0014","90","","90","","90","","2848.9","0.5","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C22 H32 F12 N2 O6 Sr -","- C22 H32 F12 N2 O6 Sr -","- C88 H128 F48 N8 O24 Sr4 -","4","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0295","0.0248","","","0.0557","0.0571","","","","","","1.113","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705388","10.8782","0.0013","17.303","0.002","22.116","0.003","74.944","0.004","84.341","0.004","81.408","0.004","3967","0.9","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C40 H66 N2 O5 -","- C40 H66 N2 O5 -","- C160 H264 N8 O20 -","4","2","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.1498","0.065","","","0.1337","0.1648","","","","","","1.017","","","","has coordinates,has disorder","257509","2020-10-21","18:00:00",""
"7705389","9.669","0.004","10.306","0.004","11.284","0.004","77.298","0.014","83.866","0.014","74.776","0.014","1057","0.7","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C44 H78 N2 O8 -","- C44 H78 N2 O8 -","- C44 H78 N2 O8 -","1","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.2628","0.1739","","","0.4636","0.51","","","","","","1.1","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705390","29.373","0.004","29.373","0.004","20.654","0.004","90","","90","","120","","15432","4","200","","200","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C32 H46 Cu N2 O4 -","- C32 H46 Cu N2 O4 -","- C576 H828 Cu18 N36 O72 -","18","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0904","0.0684","","","0.1861","0.2187","","","","","","1.139","","","","has coordinates","257507","2020-10-21","18:00:00",""
"7705391","22.432","0.005","11.329","0.002","13.48","0.003","90","","117.1","0.03","90","","3049.6","1.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N2 O4 -","- C36 H40 N2 O4 -","- C144 H160 N8 O16 -","4","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0775","0.0537","","","0.132","0.1526","","","","","","1.084","","","","has coordinates","257507","2020-10-21","18:00:00",""
"7705392","10.267","0.002","11.826","0.002","15.541","0.003","76.67","0.03","83.43","0.03","80.89","0.03","1807","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H60 N2 O2 -","- C38 H60 N2 O2 -","- C76 H120 N4 O4 -","2","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","1.54178","CuKα","","0.061","0.0437","","","0.1179","0.1314","","","","","","1.042","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705393","22.352","0.003","22.352","0.003","33.005","0.007","90","","90","","90","","16490","5","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44.5 H56 Cu N2 O2 -","- C44.5 H56 Cu N2 O2 -","- C712 H896 Cu16 N32 O32 -","16","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.1204","0.0593","","","0.1434","0.172","","","","","","1.08","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705394","22.84","0.005","25.399","0.005","16.261","0.003","90","","90","","90","","9433","3","200","","200","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C36.36 H38.71 Cl0.71 Cu F6 N2 O4 Sb -","- C36.357 H38.712 Cl0.714 Cu F6 N2 O4 Sb -","- C290.856 H309.696 Cl5.712 Cu8 F48 N16 O32 Sb8 -","8","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","1.54184","CuKα","","0.0671","0.0571","","","0.1801","0.1934","","","","","","1.125","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705395","17.661","0.004","16.537","0.003","13.206","0.003","90","","101.07","0.03","90","","3785.2","1.4","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 Cu0.5 N O -","- C19 H29 Cu0.5 N O -","- C152 H232 Cu4 N8 O8 -","8","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0545","0.0372","","","0.0814","0.0922","","","","","","1.151","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705396","11.027","0.002","13.071","0.003","14.287","0.003","108.75","0.03","92.22","0.03","91.99","0.03","1946.1","0.8","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C32.98 H47.96 Cl1.96 Cu F6 N2 O4 Sb -","- C32.978 H47.956 Cl1.956 Cu F6 N2 O4 Sb -","- C65.956 H95.912 Cl3.912 Cu2 F12 N4 O8 Sb2 -","2","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0927","0.0603","","","0.123","0.1362","","","","","","1.153","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705397","21.012","0.002","21.012","0.002","21.012","0.002","115.759","0.017","115.759","0.017","115.759","0.017","4814","5","200","","200","","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C36.16 H38.32 Cl0.32 Cu N2 O4 -","- C36.1577 H38.316 Cl0.315 Cu N2 O4 -","- C216.946 H229.896 Cl1.89 Cu6 N12 O24 -","6","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.1152","0.0562","","","0.1054","0.1343","","","","","","1.093","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705398","5.8144","","5.8167","","8.5272","","98.1845","","100.663","","92.5791","","279.773","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- La2 Li O6 V -","- La2 Li O6 V -","- La4 Li2 O12 V2 -","2","1","","Zadoya, A. I.; Arévalo-López, Á M; Sánchez-Benítez, J; Huvé, M; Blach, J.-F.; Merkel, S.; Hilairet, N.; Chantel, J.; Colmont, M.","High pressure exploration in the Li-Ln-V-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13663","13670","10.1039/d0dt02721a","","x-ray","0.71073","MoKα","","0.0564","0.0494","","","0.0646","0.0651","","","","3.84","3.84","3.47","","","","has coordinates","258827","2020-11-06","12:11:21",""
"7705399","19.4507","","5.7848","","12.2593","","90","","117.847","","90","","1219.66","","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Li Nd5 O13 V2 -","- Li Nd5 O13 V2 -","- Li4 Nd20 O52 V8 -","4","0.5","","Zadoya, A. I.; Arévalo-López, Á M; Sánchez-Benítez, J; Huvé, M; Blach, J.-F.; Merkel, S.; Hilairet, N.; Chantel, J.; Colmont, M.","High pressure exploration in the Li-Ln-V-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13663","13670","10.1039/d0dt02721a","","x-ray","0.56086","AgKα","","0.0814","0.038","","","0.0378","0.0631","","","","1.19","1.19","1.53","","","","has coordinates","258827","2020-11-06","12:11:31",""
"7705400","5.8167","0.0015","12.2954","0.0028","18.7221","","102.03","","98.7568","","103.543","","1244.4","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- La5 Li O13 V2 -","- La5 Li O13 V2 -","- La20 Li4 O52 V8 -","4","2","","Zadoya, A. I.; Arévalo-López, Á M; Sánchez-Benítez, J; Huvé, M; Blach, J.-F.; Merkel, S.; Hilairet, N.; Chantel, J.; Colmont, M.","High pressure exploration in the Li-Ln-V-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13663","13670","10.1039/d0dt02721a","","x-ray","0.56087","AgKα","","0.1126","0.0759","","","0.1031","0.1125","","","","2.32","2.32","2.1","","","","has coordinates","258827","2020-11-06","12:11:31",""
"7705401","14.9522","0.0007","11.4148","0.0007","23.0815","0.0012","90","","96.781","0.002","90","","3911.9","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cl4 Dy2 N6 O10 -","- C28 H38 Cl4 Dy2 N6 O10 -","- C112 H152 Cl16 Dy8 N24 O40 -","4","0.5","","Acharya, Joydev; Ahmed, Naushad; Flores Gonzalez, Jessica; Kumar, Pawan; Cador, Olivier; Singh, Saurabh Kumar; Pointillart, Fabrice; Chandrasekhar, Vadapalli","Slow magnetic relaxation in a homo dinuclear Dy(iii) complex in a pentagonal bipyramidal geometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13110","13122","10.1039/d0dt02881a","","","0.71073","MoKα","","0.0768","0.051","","","0.1198","0.1348","","","","","","1.125","","","","has coordinates","257514","2020-10-21","18:00:00",""
"7705402","14.909","0.0006","11.5451","0.0006","22.9371","0.0009","90","","90.379","0.004","90","","3948","0.3","119.98","0.1","119.98","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cl4 N6 O11 Y2 -","- C28 H38 Cl4 N6 O11 Y2 -","- C112 H152 Cl16 N24 O44 Y8 -","4","0.5","","Acharya, Joydev; Ahmed, Naushad; Flores Gonzalez, Jessica; Kumar, Pawan; Cador, Olivier; Singh, Saurabh Kumar; Pointillart, Fabrice; Chandrasekhar, Vadapalli","Slow magnetic relaxation in a homo dinuclear Dy(iii) complex in a pentagonal bipyramidal geometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13110","13122","10.1039/d0dt02881a","","x-ray","0.71073","MoKα","","0.0714","0.058","","","0.151","0.1561","","","","","","1.1","","","","has coordinates","257514","2020-10-21","18:00:00",""
"7705403","24.29","0.002","25.025","0.002","28.319","0.003","90","","90","","90","","17214","3","100","2","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H117 Cu2 N6 P7 Si -","- C84 H117 Cu2 N6 P7 Si -","- C672 H936 Cu16 N48 P56 Si8 -","8","1","","Jo, Minyoung; Li, Jingbai; Dragulescu-Andrasi, Alina; Rogachev, Andrey Yu; Shatruk, Michael","Incorporation of coinage metal-NHC complexes into heptaphosphide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12955","12959","10.1039/d0dt03119d","","","0.71073","MoKα","","0.1389","0.0882","","","0.2103","0.2456","","","","","","1.027","","","","has coordinates,has disorder","257504","2020-10-21","18:00:00",""
"7705404","18.4686","0.0002","17.4445","0.0001","34.225","0.0003","90","","125.216","0.001","90","","9008.44","0.18","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H116 Au3 N6 O P7 -","- C85 H116 Au3 N6 O P7 -","- C340 H464 Au12 N24 O4 P28 -","4","1","","Jo, Minyoung; Li, Jingbai; Dragulescu-Andrasi, Alina; Rogachev, Andrey Yu; Shatruk, Michael","Incorporation of coinage metal-NHC complexes into heptaphosphide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12955","12959","10.1039/d0dt03119d","","x-ray","1.54184","CuKα","","0.0382","0.0358","","","0.0974","0.0989","","","","","","1.064","","","","has coordinates","257504","2020-10-21","18:00:00",""
"7705405","14.9819","0.0003","19.1809","0.0004","20.0515","0.0004","75.2303","0.0017","70.2676","0.0018","67.3264","0.0019","4952.68","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C122.8 H118.6 F6 O3.6 P3 Ru -","- C122.8 H118.6 F6 O3.6 P3 Ru -","- C245.6 H237.2 F12 O7.2 P6 Ru2 -","2","1","","Lorenz, Rebecca; Reger, David; Weller, Ruth; Jux, Norbert; Burzlaff, Nicolai","Hexa-<i>peri</i>-hexabenzocoronene decorated with an allenylidene ruthenium complex - almost a flyswatter.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13134","13141","10.1039/d0dt02729d","","x-ray","0.71073","MoKα","","0.0683","0.0541","","","0.1425","0.1552","","","","","","1.052","","","","has coordinates,has disorder","257501","2020-10-21","18:00:00",""
"7705406","10.3228","0.00009","18.3779","0.00015","23.0249","0.0002","90","","90","","90","","4368.09","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C45 H41 Cl4 N2 O5 P2 Rh -","- C45 H41 Cl4 N2 O5 P2 Rh -","- C180 H164 Cl16 N8 O20 P8 Rh4 -","4","0.5","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","1.54184","CuKα","","0.0398","0.0372","","","0.0835","0.0849","","","","","","1.077","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705407","10.37212","0.00018","22.4932","0.0004","17.6765","0.0003","90","","97.1411","0.0017","90","","4091.98","0.12","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cl2 Ir N2 O5 P2 -","- C44 H39 Cl2 Ir N2 O5 P2 -","- C176 H156 Cl8 Ir4 N8 O20 P8 -","4","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0345","0.0279","","","0.053","0.0552","","","","","","1.063","","","","has coordinates,has disorder","257512","2020-10-21","18:00:00",""
"7705408","19.1415","0.0005","11.3474","0.0003","18.5807","0.0004","90","","110.521","0.003","90","","3779.74","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Ir N2 O5 P2 -","- C43 H37 Ir N2 O5 P2 -","- C172 H148 Ir4 N8 O20 P8 -","4","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0442","0.033","","","0.0524","0.0556","","","","","","1.063","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705409","19.1625","0.0006","11.3328","0.0003","18.6157","0.0006","90","","110.478","0.003","90","","3787.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 N2 O5 P2 Rh -","- C43 H37 N2 O5 P2 Rh -","- C172 H148 N8 O20 P8 Rh4 -","4","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0461","0.0368","","","0.0723","0.0771","","","","","","1.038","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705410","9.8794","0.0003","11.262","0.0003","17.7625","0.0005","108.01","0.003","95.694","0.002","94.789","0.002","1856.52","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 Ir N2 O5 P2 -","- C43 H37 Ir N2 O5 P2 -","- C86 H74 Ir2 N4 O10 P4 -","2","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0548","0.0433","","","0.0689","0.0733","","","","","","1.04","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705411","9.908","0.0004","11.2551","0.0005","17.8041","0.0007","108.05","0.004","95.964","0.003","94.62","0.004","1864.11","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 N2 O5 P2 Rh -","- C43 H37 N2 O5 P2 Rh -","- C86 H74 N4 O10 P4 Rh2 -","2","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0631","0.0467","","","0.0875","0.0945","","","","","","1.053","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705412","23.4463","0.0001","16.825","0.0001","21.3989","0.0001","90","","110.031","0.001","90","","7930.87","0.09","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N2 O5 P2 Rh -","- C46 H40 N2 O5 P2 Rh -","- C368 H320 N16 O40 P16 Rh8 -","8","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","1.54184","CuKα","","0.0294","0.0293","","","0.0668","0.0669","","","","","","1.187","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705413","8.391","0.0013","10.3946","0.0004","36.317","0.007","90","","90","","90","","3167.6","0.8","293","2","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","SKR568-1rod","","- C26 H19 B2 F8 Fe N13 -","- C26 H19 B2 F8 Fe N13 -","- C104 H76 B8 F32 Fe4 N52 -","4","1","","Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario","Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14258","14267","10.1039/d0dt02214d","","","0.71073","MoKα","","0.1173","0.0657","","","0.159","0.1846","","","","","","1.016","","","","has coordinates","258847","2020-11-06","12:17:35",""
"7705414","17.194","0.015","8.726","0.008","19.187","0.006","90","","90.4","","90","","2879","4","293","2","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","SKR569.1","","- C24 H16 Cl2 Fe N12 O8 -","- C24 H16 Cl2 Fe N12 O8 -","- C96 H64 Cl8 Fe4 N48 O32 -","4","1","","Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario","Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14258","14267","10.1039/d0dt02214d","","","0.71073","MoKα","","0.1511","0.0742","","","0.1754","0.21","","","","","","1.028","","","","has coordinates","258847","2020-11-06","12:17:35",""
"7705415","11.1367","0.0013","11.9804","0.0014","17.45","0.003","80.497","0.017","75.945","0.016","69.009","0.015","2100.8","0.6","150","","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 O10 Si8 -","- C32.002 H44.006 O10 Si8.001 -","- C64.004 H88.012 O20 Si16.002 -","2","1","","Chaiprasert, Thanawat; Liu, Yujia; Takeda, Nobuhiro; Unno, Masafumi","Janus ring siloxane: a versatile precursor of the extended Janus ring and tricyclic laddersiloxanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13533","13537","10.1039/d0dt03045g","","","0.71075","MoKα","","0.0949","0.0575","","","0.1514","0.1668","","","","","","0.998","","","","has coordinates,has disorder","258823","2020-11-06","12:10:15",""
"7705416","5.450469","0.000016","12.81464","0.00004","6.36732","0.00002","90","","90","","90","","444.731","0.002","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C I N O Sr -","- C I N O Sr -","- C4 I4 N4 O4 Sr4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","1.8435","1.0169","","","","","","","has coordinates","258846","2020-11-06","12:17:23",""
"7705417","5.69275","0.00002","13.19368","0.00007","6.65023","0.00003","90","","90","","90","","499.488","0.004","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Ba I N O -","- C Ba I N O -","- C4 Ba4 I4 N4 O4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","3.6598","1.0123","","","","","","","has coordinates","258846","2020-11-06","12:17:24",""
"7705418","8.54524","0.00004","4.74622","0.00002","11.60133","0.00006","90","","90","","90","","470.522","0.004","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C Ba I N O -","- C Ba I N O -","- C4 Ba4 I4 N4 O4 -","4","0.5","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","1.2922","1.0586","","","","","","","has coordinates","258846","2020-11-06","12:17:25",""
"7705419","5.44922","0.00003","12.7753","0.00008","6.33545","0.00004","90","","90","","90","","441.045","0.005","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Eu I N O -","- C Eu I N O -","- C4 Eu4 I4 N4 O4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","2.8924","1.1449","","","","","","","has coordinates","258846","2020-11-06","12:17:25",""
"7705420","13.31","0.05","14.41","0.05","14.49","0.06","97.92","0.07","102.57","0.07","117.39","0.05","2316","15","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H27 N7 O4 Ru -","- C40 H27 N7 O4 Ru -","- C80 H54 N14 O8 Ru2 -","2","1","","Han, Zhong; Chen, Yuncong; Wang, Yanjun; Shi, Xiangchao; Yuan, Hao; Bai, Yang; Chen, Zhongyan; Fang, Hongbao; He, Weijiang; Guo, Zijian","Photoinduced synergistic cytotoxicity towards cancer cells <i>via</i> Ru(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13954","13957","10.1039/d0dt02627a","","","0.71073","MoKα","","0.2097","0.099","","","0.2175","0.2661","","","","","","0.831","","","","has coordinates","258849","2020-11-06","12:17:53",""
"7705421","10.971","0.002","18.18","0.003","20.965","0.003","90","","102.961","0.007","90","","4075","1.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Cu I3 P2 -","- C44 H32 Cu I3 P2 -","- C176 H128 Cu4 I12 P8 -","4","1","","Duval, Maryne; Blons, Charlie; Mallet-Ladeira, Sonia; Delcroix, Damien; Magna, Lionel; Olivier-Bourbigou, Hélène; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Amgoune, Abderrahmane; Szalóki, György; Bourissou, Didier","Cu-Catalyzed P-C bond formation/cleavage: straightforward synthesis/ring-expansion of strained cyclic phosphoniums.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13100","13109","10.1039/d0dt03059g","","","0.71073","MoKα","","0.0808","0.0414","","","0.0705","0.0819","","","","","","0.948","","","","has coordinates","257506","2020-10-21","18:00:00",""
"7705422","12.7508","0.0001","15.3921","0.0001","14.5516","0.0001","90","","99.728","0.001","90","","2814.85","0.04","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 I2 Mg2 N4 O4 -","- C52 H88 I2 Mg2 N4 O4 -","- C104 H176 I4 Mg4 N8 O8 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0329","0.0305","","","0.0791","0.0813","","","","","","1.042","","","","has coordinates","257500","2020-10-21","18:00:00",""
"7705423","9.499","0.0002","20.0527","0.0003","19.9097","0.0003","90","","103.793","0.002","90","","3683.05","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H116 Mg2 N12 -","- C79 H116 Mg2 N12 -","- C158 H232 Mg4 N24 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0489","0.0462","","","0.1268","0.1303","","","","","","1.035","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705424","9.8229","0.0002","10.7632","0.0002","23.2089","0.0004","90","","97.157","0.001","90","","2434.66","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 Mg2 N12 -","- C52 H68 Mg2 N12 -","- C104 H136 Mg4 N24 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.042","0.0375","","","0.0942","0.0978","","","","","","1.031","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705425","9.8996","0.0002","12.4467","0.0002","31.2573","0.0005","93.288","0.001","97.15","0.001","108.083","0.002","3613.88","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H112 Mg2 N8 -","- C72 H112 Mg2 N8 -","- C144 H224 Mg4 N16 -","2","1","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0448","0.0373","","","0.0945","0.0992","","","","","","1.035","","","","has coordinates","257500","2020-10-21","18:00:00",""
"7705426","14.3957","0.0005","14.0381","0.0005","16.1228","0.0007","90","","113.306","0.005","90","","2992.4","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H88 Mg2 N12 -","- C65 H88 Mg2 N12 -","- C130 H176 Mg4 N24 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.051","0.0451","","","0.1215","0.1272","","","","","","1.043","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705427","12.6943","0.0004","17.8808","0.0006","19.6828","0.0004","107.811","0.002","105.29","0.002","102.834","0.003","3873.6","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H124 Mg2 N8 -","- C81 H124 Mg2 N8 -","- C162 H248 Mg4 N16 -","2","1","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0949","0.0763","","","0.2036","0.2245","","","","","","1.058","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705428","10.6932","0.0002","30.0479","0.0006","22.9544","0.0004","90","","102.733","0.002","90","","7194.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H111 Mg2 N12 -","- C74 H111 Mg2 N12 -","- C296 H444 Mg8 N48 -","4","1","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0478","0.0407","","","0.1076","0.1136","","","","","","0.98","","","","has coordinates","257500","2020-10-21","18:00:00",""
"7705429","8.763","0.0006","12.9801","0.0009","43.998","0.003","90","","93.4275","0.0019","90","","4995.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag N5 O7 -","- C24 H22 Ag N5 O7 -","- C192 H176 Ag8 N40 O56 -","8","1","","Mandal, Rajorshi; Biradha, Kumar","Photochemical [2 + 2] polymerization of metal-organic gels of a rigid and angular diene with silver-salts of diverse anions: selective dye-sorption and luminescence by xerogels.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13744","13752","10.1039/d0dt02919j","","","0.71073","MoKα","","0.0484","0.041","","","0.105","0.109","","","","","","1.093","","","","has coordinates,has disorder","258834","2020-11-06","12:13:08",""
"7705430","8.8844","0.0006","17.8723","0.0012","11.6799","0.0008","90","","92.26","0.002","90","","1853.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 Cl2 Mn N6 O12 -","- C32 H53 Cl2 Mn N6 O12 -","- C64 H106 Cl4 Mn2 N12 O24 -","2","0.5","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.0451","0.0352","","","0.0853","0.0907","","","","","","1.037","","","","has coordinates","258851","2020-11-06","12:18:18",""
"7705431","14.3176","0.0012","15.3238","0.0013","17.612","0.0014","89.469","0.003","89.675","0.003","79.55","0.003","3799.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H94 Br4 Cl4 Mn2 N12 O20 -","- C60 H94 Br4 Cl4 Mn2 N12 O20 -","- C120 H188 Br8 Cl8 Mn4 N24 O40 -","2","1","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.0547","0.0467","","","0.1186","0.1258","","","","","","1.048","","","","has coordinates","258851","2020-11-06","12:18:20",""
"7705432","9.7066","0.0005","17.1354","0.001","11.9397","0.0007","90","","98.935","0.002","90","","1961.79","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H57 Cl2 Mn N6 O12 -","- C34 H57 Cl2 Mn N6 O12 -","- C68 H114 Cl4 Mn2 N12 O24 -","2","0.5","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.0376","0.0292","","","0.073","0.078","","","","","","1.049","","","","has coordinates","258851","2020-11-06","12:18:20",""
"7705433","12.2066","0.0006","13.0928","0.0008","13.7344","0.0008","62.513","0.002","83.342","0.002","72.418","0.002","1855.55","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H104 Cl4 Mn2 N12 O23 -","- C60 H104 Cl4 Mn2 N12 O23 -","- C60 H104 Cl4 Mn2 N12 O23 -","1","0.5","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.055","0.0401","","","0.0997","0.1093","","","","","","1.018","","","","has coordinates","258851","2020-11-06","12:18:20",""
"7705434","11.4564","0.0008","27.544","0.002","11.5369","0.0007","90","","101.261","0.006","90","","3570.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H38 Dy3 N5 O21 -","- C65 H38 Dy3 N5 O21 -","- C130 H76 Dy6 N10 O42 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.1159","0.1016","","","0.2222","0.2296","","","","","","1.192","","","","has coordinates,has disorder","258843","2020-11-06","12:16:52",""
"7705435","11.513","0.003","27.717","0.006","11.592","0.003","90","","102.164","0.007","90","","3616","1.5","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H40.85 Gd3 N5 O22.5 -","- C65 H40.944 Gd3 N5 O22.5 -","- C130 H81.888 Gd6 N10 O45 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0532","0.0429","","","0.1031","0.1086","","","","","","1.05","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705436","11.4772","0.0005","27.6587","0.0013","11.5564","0.0005","90","","101.93","0.001","90","","3589.3","0.3","296","","296","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H43 N5 O23 Tb3 -","- C65 H43 N5 O23 Tb3 -","- C130 H86 N10 O46 Tb6 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0316","0.0266","","","0.0667","0.0692","","","","","","1.079","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705437","11.52","0.002","27.7","0.005","11.6","0.002","90","","102.121","0.006","90","","3619.1","1.1","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H44 Eu3 N5 O23.5 -","- C65 H44 Eu3 N5 O23.5 -","- C130 H88 Eu6 N10 O47 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0316","0.0292","","","0.0757","0.0769","","","","","","1.137","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705438","9.5122","0.0006","10.6129","0.0007","17.1311","0.0012","91.229","0.002","95.309","0.002","91.786","0.002","1720.6","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N O2 P3 -","- C40 H36 N O2 P3 -","- C80 H72 N2 O4 P6 -","2","1","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.1025","0.0529","","","0.0948","0.1107","","","","","","1.027","","","","has coordinates,has disorder","258866","2020-11-06","12:23:29",""
"7705439","10.983","0.0008","12.836","0.0011","25.3008","0.0017","90","","92.649","0.002","90","","3563","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39.98 H31.98 N4.98 P3 -","- C39.982 H31.982 N4.982 P3 -","- C159.928 H127.928 N19.928 P12 -","4","1","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.1099","0.0533","","","0.0989","0.1188","","","","","","1.012","","","","has coordinates,has disorder","258866","2020-11-06","12:23:30",""
"7705440","9.0732","0.0003","19.1434","0.0006","9.8622","0.0003","90","","91.602","0.001","90","","1712.31","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H32 N4 P2 S -","- C39 H32 N4 P2 S -","- C78 H64 N8 P4 S2 -","2","1","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.0558","0.0394","","","0.0779","0.0834","","","","","","1.025","","","","has coordinates","258866","2020-11-06","12:23:30",""
"7705441","16.1472","0.0005","16.1089","0.0006","15.3501","0.0005","90","","116.105","0.001","90","","3585.5","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 N7 P2 -","- C39 H33 N7 P2 -","- C156 H132 N28 P8 -","4","0.5","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.046","0.0356","","","0.0872","0.0942","","","","","","1.042","","","","has coordinates,has disorder","258866","2020-11-06","12:23:30",""
"7705442","16.2482","0.0005","16.0014","0.0005","15.3207","0.0005","90","","115.71","0.001","90","","3588.9","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 N5 O P2 -","- C40 H33 N5 O P2 -","- C160 H132 N20 O4 P8 -","4","0.5","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.0642","0.0405","","","0.0931","0.1042","","","","","","1.019","","","","has coordinates,has disorder","258866","2020-11-06","12:23:30",""
"7705443","13.0584","0.0013","14.2394","0.0014","14.9471","0.0015","95.291","0.003","103.753","0.003","103.358","0.003","2594.6","0.5","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48.5 H27 Cl5 F12 Ir N5 O2.5 S2 -","- C48.5 H27 Cl5 F12 Ir N5 O2.5 S2 -","- C97 H54 Cl10 F24 Ir2 N10 O5 S4 -","2","1","","Mei, Qunying; Sheng, Ren; Cheng, Wei; Zhang, Jie; Wang, Ping; Mei, Qunbo; Chen, Ping; Tong, Bihai","High stability and luminance efficiency thieno[2,3-<i>d</i>]pyridazine-based iridium complexes and their applications in high-performance yellow OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13797","13804","10.1039/d0dt02886j","","","1.34138","GaKα","","0.0368","0.0363","","","0.0961","0.0965","","","","","","1.094","","","","has coordinates,has disorder","258829","2020-11-06","12:11:48",""
"7705444","12.0609","0.0007","12.8451","0.0009","22.3125","0.0014","85.936","0.002","75.667","0.002","84.697","0.002","3330.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H74 B F12 N2 O Si3 -","- C68 H74 B F12 N2 O Si3 -","- C136 H148 B2 F24 N4 O2 Si6 -","2","1","","Guddorf, Benedikt J.; Hepp, Alexander; Daniliuc, Constantin; Stephan, Douglas W.; Lips, Felicitas","An intermolecular FLP System derived from an NHC-coordinated trisilacyclopropylidene.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13386","13392","10.1039/d0dt02797a","","","0.71073","MoKα","","0.1246","0.0812","","","0.1482","0.1652","","","","","","1.049","","","","has coordinates,has disorder","258868","2020-11-06","12:23:45",""
"7705445","16.515","0.012","16.827","0.013","25.6","0.03","90","","90","","90","","7114","11","296","2","296","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C36 H43 Mo12 N4 O46 P Zn4 -","- C36 H36 Mo12 N4 O44 P Zn4 -","- C144 H144 Mo48 N16 O176 P4 Zn16 -","4","0.5","","Liu, Xiao-Mei; Meng, Fan-Qiong; Cheng, Wei-Wei; Cao, Jia-Peng; Wang, Ji-Lei; Zang, Ting-Ting; Ping, Qing-Dong; Xie, Hui; Xu, Yan","Two new isolated Zn-ε-Keggin clusters modified by conjugated organic ligands with decent electrocatalytic and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14251","14257","10.1039/d0dt02897e","","","0.71073","MoKα","","0.0625","0.0545","","","0.1389","0.1458","","","","","","1.038","","","","has coordinates","258857","2020-11-06","12:19:54",""
"7705446","15.226","0.006","15.524","0.006","18.576","0.007","78.388","0.005","75.246","0.004","68.275","0.004","3916","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H49 Mo12 N10 O44 P Zn5 -","- C52 H49 Mo12 N10 O44 P Zn5 -","- C104 H98 Mo24 N20 O88 P2 Zn10 -","2","1","","Liu, Xiao-Mei; Meng, Fan-Qiong; Cheng, Wei-Wei; Cao, Jia-Peng; Wang, Ji-Lei; Zang, Ting-Ting; Ping, Qing-Dong; Xie, Hui; Xu, Yan","Two new isolated Zn-ε-Keggin clusters modified by conjugated organic ligands with decent electrocatalytic and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14251","14257","10.1039/d0dt02897e","","","0.71073","MoKα","","0.0481","0.0417","","","0.1186","0.1255","","","","","","1.022","","","","has coordinates","258857","2020-11-06","12:19:57",""
"7705447","10.8101","0.0018","15.577","0.003","17.012","0.003","84.69","0.003","76.443","0.003","74.492","0.003","2682.1","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 Cu2 N16 O13 V4 -","- C40 H50 Cu2 N16 O13 V4 -","- C80 H100 Cu4 N32 O26 V8 -","2","1","","Li, Jikun; Wei, Chuanping; Guo, Daigaojie; Wang, Congcong; Han, Yinfeng; He, Guofang; Zhang, Jianping; Huang, Xianqiang; Hu, Changwen","Inorganic-organic hybrid polyoxovanadates based on [V<sub>4</sub>O<sub>12</sub>]<sup>4-</sup> or [VO<sub>3</sub>]<sub>2</sub><sup>2-</sup> clusters: controllable synthesis, crystal structures and catalytic properties in selective oxidation of sulfides.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14148","14157","10.1039/d0dt03015e","","","0.71073","MoKα","","0.0799","0.0574","","","0.163","0.1805","","","","","","1.045","","","","has coordinates","258848","2020-11-06","12:17:45",""
"7705448","12.057","0.003","5.8528","0.0014","15.556","0.004","90","","98.297","0.004","90","","1086.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Co N2 O7 V2 -","- C5 H8 Co N2 O7 V2 -","- C20 H32 Co4 N8 O28 V8 -","4","1","","Li, Jikun; Wei, Chuanping; Guo, Daigaojie; Wang, Congcong; Han, Yinfeng; He, Guofang; Zhang, Jianping; Huang, Xianqiang; Hu, Changwen","Inorganic-organic hybrid polyoxovanadates based on [V<sub>4</sub>O<sub>12</sub>]<sup>4-</sup> or [VO<sub>3</sub>]<sub>2</sub><sup>2-</sup> clusters: controllable synthesis, crystal structures and catalytic properties in selective oxidation of sulfides.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14148","14157","10.1039/d0dt03015e","","","0.71073","MoKα","","0.0231","0.02","","","0.0568","0.0586","","","","","","1.306","","","","has coordinates","258848","2020-11-06","12:17:45",""
"7705449","12.6684","0.0017","15.0479","0.0019","15.759","0.002","68.329","0.002","66.587","0.002","73.633","0.002","2529.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H48 N14 Ni2 O15 V4 -","- C35 H48 N14 Ni2 O15 V4 -","- C70 H96 N28 Ni4 O30 V8 -","2","1","","Li, Jikun; Wei, Chuanping; Guo, Daigaojie; Wang, Congcong; Han, Yinfeng; He, Guofang; Zhang, Jianping; Huang, Xianqiang; Hu, Changwen","Inorganic-organic hybrid polyoxovanadates based on [V<sub>4</sub>O<sub>12</sub>]<sup>4-</sup> or [VO<sub>3</sub>]<sub>2</sub><sup>2-</sup> clusters: controllable synthesis, crystal structures and catalytic properties in selective oxidation of sulfides.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14148","14157","10.1039/d0dt03015e","","","0.71073","MoKα","","0.0651","0.0521","","","0.1422","0.1537","","","","","","1.043","","","","has coordinates","258848","2020-11-06","12:17:45",""
"7705450","39.314","0.007","39.314","0.007","10.636","0.002","90","","90","","120","","14237","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60.33 H96.67 Ga4 N2 O4 -","- C58 H94 Ga4 N2 O4 -","- C522 H846 Ga36 N18 O36 -","9","0.5","","Ghosh, Swarup; Glöckler, Eduard; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Active Ga-catalysts for the ring opening homo- and copolymerization of cyclic esters, and copolymerization of epoxide and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13475","13486","10.1039/d0dt02831b","","","0.71073","MoKα","","0.0633","0.0429","","","0.0933","0.0997","","","","","","1.088","","","","has coordinates,has disorder","258873","2020-11-06","12:25:13",""
"7705451","7.8895","0.0008","17.1647","0.0017","13.2719","0.0013","90","","93.448","0.004","90","","1794","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Cl4 Ga4 N2 O4 -","- C28 H42 Cl4 Ga4 N2 O4 -","- C56 H84 Cl8 Ga8 N4 O8 -","2","0.5","","Ghosh, Swarup; Glöckler, Eduard; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Active Ga-catalysts for the ring opening homo- and copolymerization of cyclic esters, and copolymerization of epoxide and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13475","13486","10.1039/d0dt02831b","","","1.54178","CuKα","","0.0293","0.0274","","","0.0718","0.0738","","","","","","1.068","","","","has coordinates","258873","2020-11-06","12:25:13",""
"7705452","17.0092","0.0006","28.156","0.001","25.5123","0.0009","90","","107.148","0.001","90","","11675","0.7","120","2","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H95 Cl4 Dy3 N8 O24 -","- C116 H95 Cl4 Dy3 N8 O24 -","- C464 H380 Cl16 Dy12 N32 O96 -","4","1","","Wu, Si-Guo; Peng, Yuan-Yuan; Chen, Yan-Cong; Liu, Jun-Liang; Tong, Ming-Liang","Magnetic dynamics of an open-ring tridysprosium complex employing mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14140","14147","10.1039/d0dt02698k","","","0.71073","MoKα","","0.0966","0.0623","","","0.1424","0.1621","","","","","","1.029","","","","has coordinates","258842","2020-11-06","12:16:38",""
"7705453","12.2038","0.0009","15.3","0.0011","12.3636","0.001","90","","105.697","0.002","90","","2222.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 Dy2 N4 O10 -","- C42 H52 Cl2 Dy2 N4 O10 -","- C84 H104 Cl4 Dy4 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.038","0.0299","","","0.057","0.0604","","","","","","1.158","","","","has coordinates","258852","2020-11-06","12:18:32",""
"7705454","12.373","0.002","16.244","0.003","12.411","0.002","90","","100.85","0.03","90","","2449.9","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 F12 Gd2 N4 O10 -","- C42 H40 Cl2 F12 Gd2 N4 O10 -","- C84 H80 Cl4 F24 Gd4 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0342","0.0249","","","0.0506","0.0534","","","","","","1.085","","","","has coordinates,has disorder","258852","2020-11-06","12:18:32",""
"7705455","12.195","0.007","15.315","0.009","12.354","0.008","90","","105.25","0.02","90","","2226","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 N4 O10 Tb2 -","- C42 H52 Cl2 N4 O10 Tb2 -","- C84 H104 Cl4 N8 O20 Tb4 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0422","0.0327","","","0.0605","0.0634","","","","","","1.203","","","","has coordinates","258852","2020-11-06","12:18:32",""
"7705456","12.3456","0.0009","16.1162","0.0012","12.3576","0.001","90","","101.395","0.003","90","","2410.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 Dy2 F12 N4 O10 -","- C42 H40 Cl2 Dy2 F12 N4 O10 -","- C84 H80 Cl4 Dy4 F24 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0445","0.0325","","","0.0689","0.0735","","","","","","1.135","","","","has coordinates,has disorder","258852","2020-11-06","12:18:32",""
"7705457","12.2419","0.0006","15.4182","0.0008","12.3911","0.0006","90","","105.119","0.002","90","","2257.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 Gd2 N4 O10 -","- C42 H52 Cl2 Gd2 N4 O10 -","- C84 H104 Cl4 Gd4 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0462","0.0295","","","0.059","0.0644","","","","","","1.081","","","","has coordinates","258852","2020-11-06","12:18:32",""
"7705458","12.3426","0.0006","16.1566","0.0008","12.366","0.0006","90","","101.148","0.002","90","","2419.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 F12 N4 O10 Tb2 -","- C42 H40 Cl2 F12 N4 O10 Tb2 -","- C84 H80 Cl4 F24 N8 O20 Tb4 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0377","0.0251","","","0.055","0.0595","","","","","","1.04","","","","has coordinates,has disorder","258852","2020-11-06","12:18:32",""
"7705459","25.796","0.0003","19.9108","0.0003","32.7481","0.0005","90","","108.707","0.002","90","","15931.5","0.4","149.99","0.1","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H150 In20 N24 S33 -","- C84 H150 In20 N24 S33 -","- C336 H600 In80 N96 S132 -","4","1","","Sun, Long; Zhang, Hong-Yan; Zhang, Jian; Jia, Ying-Jie; Yu, You-Zhu; Hou, Juan-Juan; Wang, Ying-Xia; Zhang, Xian-Ming","A quasi-<i>D</i><sub>3</sub>-symmetrical metal chalcogenide cluster constructed by the corner-sharing of two T3 supertetrahedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13958","13961","10.1039/d0dt02420a","","","1.54184","CuKα","","0.0985","0.0859","","","0.2369","0.2485","","","","","","1.047","","","","has coordinates","258856","2020-11-06","12:19:44",""
"7705460","11.7138","0.0006","11.8974","0.0006","18.4498","0.001","83.494","0.003","88.272","0.003","82.151","0.003","2530.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C51.88 H61.77 B Cl2.82 Cu N8 -","- C51.884 H61.768 B Cl2.822 Cu N8 -","- C103.768 H123.536 B2 Cl5.644 Cu2 N16 -","2","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","x-ray","0.71073","MoKα","","0.0655","0.0437","","","0.0989","0.1101","","","","","","1.059","","","","has coordinates,has disorder","258785","2020-11-06","11:56:41",""
"7705461","16.4916","0.0016","12.6597","0.0012","19.3006","0.0018","90","","90","","90","","4029.6","0.7","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H47 B Cu N7 -","- C44 H47 B Cu N7 -","- C176 H188 B4 Cu4 N28 -","4","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","x-ray","0.71073","MoKα","","0.0476","0.0378","","","0.0822","0.0889","","","","","","1.076","","","","has coordinates,has disorder","258785","2020-11-06","11:56:42",""
"7705462","12.7579","0.0005","14.4057","0.0006","21.7302","0.0009","85.173","0.001","74.863","0.001","67.326","0.001","3556.6","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H82 B2 Cl2 Cu3 N12 O4 -","- C73 H82 B2 Cl2 Cu3 N12 O4 -","- C146 H164 B4 Cl4 Cu6 N24 O8 -","2","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","","0.71073","MoKα","","0.0693","0.0469","","","0.1245","0.1359","","","","","","1.061","","","","has coordinates","258785","2020-11-06","11:56:42",""
"7705463","12.5272","0.0003","12.1231","0.0003","33.9287","0.0008","90","","96.758","0.001","90","","5116.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 B Cl4 Cu N8 -","- C50 H58 B Cl4 Cu N8 -","- C200 H232 B4 Cl16 Cu4 N32 -","4","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","","0.71073","MoKα","","0.0691","0.0548","","","0.1642","0.174","","","","","","1.054","","","","has coordinates,has disorder","258785","2020-11-06","11:56:42",""
"7705464","19.4925","0.0007","11.5549","0.0004","16.8158","0.0006","90","","90.485","0.002","90","","3787.4","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 B Cu N7 -","- C43 H45 B Cu N7 -","- C172 H180 B4 Cu4 N28 -","4","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","x-ray","0.71073","MoKα","","0.0501","0.0345","","","0.0839","0.0912","","","","","","1.052","","","","has coordinates","258785","2020-11-06","11:56:42",""
"7705465","30.491","0.006","12.963","0.002","25.072","0.005","90","","127.131","0.011","90","","7901","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H90 B2 Cu3 N12 O5 -","- C77 H90 B2 Cu3 N12 O5 -","- C308 H360 B8 Cu12 N48 O20 -","4","0.5","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","","0.71073","MoKα","","0.1","0.0761","","","0.2051","0.2344","","","","","","1.055","","","","has coordinates","258785","2020-11-06","11:56:42",""
"7705466","7.39374","0.00017","8.1713","0.0002","13.3835","0.0003","90","","96.8777","0.0017","90","","802.77","0.03","540","","540","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 N O4 Zn -","- C8 H5 N O4 Zn -","- C32 H20 N4 O16 Zn4 -","4","1","","Zhang, Jia-Rong; Lee, Jey-Jau; Su, Chun-Hao; Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","From lamellar net to bilayered-lamella and to porous pillared-bilayer: reversible crystal-to-crystal transformation, CO<sub>2</sub> adsorption, and fluorescence detection of Fe<sup>3+</sup>, Al<sup>3+</sup>, Cr<sup>3+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in water.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14201","14215","10.1039/d0dt02606a","powder diffraction","x-ray","0.6889","","","0.0267","0.0267","","0.0305","0.0305","","","","1.1","","","","","","","has coordinates","258845","2020-11-06","12:17:12",""
"7705467","19.898","0.005","7.618","0.005","16.128","0.005","90","0.005","101.547","0.005","90","0.005","2395.3","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 N6 O11 Zn2 -","- C41 H30 N6 O11 Zn2 -","- C82 H60 N12 O22 Zn4 -","2","0.5","","Zhang, Jia-Rong; Lee, Jey-Jau; Su, Chun-Hao; Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","From lamellar net to bilayered-lamella and to porous pillared-bilayer: reversible crystal-to-crystal transformation, CO<sub>2</sub> adsorption, and fluorescence detection of Fe<sup>3+</sup>, Al<sup>3+</sup>, Cr<sup>3+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in water.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14201","14215","10.1039/d0dt02606a","","","0.71073","MoKα","","0.1095","0.0911","","","0.2483","0.2654","","","","","","1.113","","","","has coordinates,has disorder","258845","2020-11-06","12:17:13",""
"7705468","5.1763","0.0004","8.0757","0.0006","12.746","0.001","92.297","0.005","98.372","0.005","96.965","0.005","522.34","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N2 O4 S2 -","- C18 H34 N2 O4 S2 -","- C18 H34 N2 O4 S2 -","1","0.5","","Shuvaev, Sergey; Suturina, Elizaveta A.; Rotile, Nicholas J.; Astashkin, Andrei; Ziegler, Christopher J.; Ross, Alana W.; Walker, Tia L.; Caravan, Peter; Taschner, Ian S.","Revisiting dithiadiaza macrocyclic chelators for copper-64 PET imaging.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14088","14098","10.1039/d0dt02787a","","","0.71073","MoKα","","0.0781","0.049","","","0.1202","0.1338","","","","","","1.083","","","","has coordinates","258854","2020-11-06","12:19:07",""
"7705469","9.4305","0.0004","16.2613","0.0008","9.6556","0.0005","90","","114.665","0.002","90","","1345.61","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl2 Cu N2 O12 S2 -","- C18 H34 Cl2 Cu N2 O12 S2 -","- C36 H68 Cl4 Cu2 N4 O24 S4 -","2","0.5","","Shuvaev, Sergey; Suturina, Elizaveta A.; Rotile, Nicholas J.; Astashkin, Andrei; Ziegler, Christopher J.; Ross, Alana W.; Walker, Tia L.; Caravan, Peter; Taschner, Ian S.","Revisiting dithiadiaza macrocyclic chelators for copper-64 PET imaging.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14088","14098","10.1039/d0dt02787a","","","0.71073","MoKα","","0.0602","0.0447","","","0.0974","0.1043","","","","","","1.021","","","","has coordinates","258854","2020-11-06","12:19:16",""
"7705470","8.2747","0.0005","8.4428","0.0005","8.5526","0.0005","64.705","0.003","89.681","0.003","71.834","0.003","507.59","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 Cl2 N2 O6 S2 -","- C14 H28 Cl2 N2 O6 S2 -","- C14 H28 Cl2 N2 O6 S2 -","1","0.5","","Shuvaev, Sergey; Suturina, Elizaveta A.; Rotile, Nicholas J.; Astashkin, Andrei; Ziegler, Christopher J.; Ross, Alana W.; Walker, Tia L.; Caravan, Peter; Taschner, Ian S.","Revisiting dithiadiaza macrocyclic chelators for copper-64 PET imaging.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14088","14098","10.1039/d0dt02787a","","","0.71073","MoKα","","0.0734","0.0667","","","0.2021","0.208","","","","","","1.126","","","","has coordinates","258854","2020-11-06","12:19:19",""
"7705471","13.6208","0.0003","17.3161","0.0003","18.5812","0.0004","90","","90.983","0.002","90","","4381.9","0.15","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H34 Eu N2 O14.5 -","- C45 H34 Eu N2 O14.5 -","- C180 H136 Eu4 N8 O58 -","4","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0739","0.0421","","","0.1095","0.1351","","","","","","1.064","","","","has coordinates,has disorder","258822","2020-11-06","12:10:06",""
"7705472","11.2098","0.0009","12.9725","0.0009","14.1866","0.0009","105.184","0.005","91.711","0.006","99.498","0.006","1957.9","0.3","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 N2 O12 Tm -","- C45 H29 N2 O12 Tm -","- C90 H58 N4 O24 Tm2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0652","0.0385","","","0.0731","0.0802","","","","","","0.865","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705473","11.6542","0.0003","13.2784","0.0004","18.3379","0.0006","78.449","0.002","76.214","0.002","68.738","0.002","2548.04","0.14","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 Dy N2 O12.7 -","- C58.4 H41.2 Dy N2 O12.7 -","- C116.8 H82.4 Dy2 N4 O25.4 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0636","0.0359","","","0.0755","0.0857","","","","","","0.922","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705474","11.0672","0.0007","13.0523","0.0008","14.2639","0.0009","104.5","0.005","92.593","0.005","98.423","0.005","1966.1","0.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 N2 O12.5 Tb -","- C45 H30 N2 O12.5 Tb -","- C90 H60 N4 O25 Tb2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.069","0.0341","","","0.0575","0.0651","","","","","","0.789","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705475","11.663","0.0004","13.2469","0.0006","18.333","0.0008","78.553","0.003","76.079","0.003","68.68","0.003","2541.72","0.19","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 N2 O12.7 Tb -","- C58.4 H41.2 N2 O12.7 Tb -","- C116.8 H82.4 N4 O25.4 Tb2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0796","0.0417","","","0.075","0.0824","","","","","","0.795","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705476","11.7006","0.0004","13.2487","0.0006","18.3375","0.0008","78.623","0.003","76.024","0.003","68.68","0.003","2550.8","0.19","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 Eu N2 O12.7 -","- C58.4 H41.2 Eu N2 O12.7 -","- C116.8 H82.4 Eu2 N4 O25.4 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0529","0.0319","","","0.0742","0.0849","","","","","","1.055","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705477","11.0739","0.0007","13.0473","0.0008","14.2413","0.0008","104.471","0.004","92.631","0.005","98.45","0.005","1963.4","0.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Dy N2 O12.5 -","- C45 H30 Dy N2 O12.5 -","- C90 H60 Dy2 N4 O25 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0588","0.0347","","","0.0679","0.0752","","","","","","0.875","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705478","11.5992","0.0005","13.3015","0.0006","18.3354","0.0008","78.343","0.004","76.447","0.003","68.722","0.003","2541.2","0.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 N2 O12.7 Tm -","- C58.4 H41.2 N2 O12.7 Tm -","- C116.8 H82.4 N4 O25.4 Tm2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0869","0.0392","","","0.0567","0.0646","","","","","","0.768","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705479","8.7457","0.0004","6.3938","0.0002","23.9293","0.0009","90","","90","","90","","1338.08","0.09","299.3","0.2","299.3","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 O2 S -","- C17 H12 O2 S -","- C68 H48 O8 S4 -","4","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","","0.71073","MoKα","","0.0357","0.0329","","","0.0876","0.0899","","","","","","1.068","","","","has coordinates","258786","2020-11-06","11:56:53",""
"7705480","9.1371","0.0003","10.1916","0.0003","10.4736","0.0003","78.929","0.003","65.508","0.003","71.717","0.003","840.58","0.05","297.6","0.6","297.6","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 O2 S -","- C23 H14 O2 S -","- C46 H28 O4 S2 -","2","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","x-ray","1.54184","CuKα","","0.0486","0.0433","","","0.1276","0.1344","","","","","","1.062","","","","has coordinates,has disorder","258786","2020-11-06","11:56:53",""
"7705481","6.32131","0.00013","12.7658","0.0003","20.1479","0.0005","90","","90","","90","","1625.87","0.06","297.3","0.5","297.3","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","x-ray","1.54184","CuKα","","0.0387","0.0358","","","0.0993","0.1022","","","","","","1.043","","","","has coordinates,has disorder","258786","2020-11-06","11:56:53",""
"7705482","10.8413","0.0006","11.1473","0.0006","15.2059","0.0006","92.185","0.001","93.798","0.001","110.543","0.001","1713.31","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H42 Cl F6 N4 O1.5 Os Sb -","- C31 H36 Cl F6 N4 Os Sb -","- C62 H72 Cl2 F12 N8 Os2 Sb2 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0358","0.0287","","","0.0599","0.0633","","","","","","1.005","","","","has coordinates,has disorder","258835","2020-11-06","12:13:30",""
"7705483","11.5507","0.0013","11.8469","0.0013","15.5684","0.0017","72.569","0.001","80.229","0.001","82.14","0.002","1994.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 F12 N5 Os Sb2 -","- C36 H41 F12 N5 Os Sb2 -","- C72 H82 F24 N10 Os2 Sb4 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.106","0.0608","","","0.1153","0.1352","","","","","","1.03","","","","has coordinates","258835","2020-11-06","12:13:31",""
"7705484","24.6016","0.0011","10.2764","0.0005","16.4397","0.0008","90","","90","","90","","4156.2","0.3","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H45 Cl2 F6 N3 Os P Sb -","- C39 H43 F6 N3 Os P Sb -","- C156 H172 F24 N12 Os4 P4 Sb4 -","4","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0257","0.0232","","","0.0557","0.0572","","","","","","1.029","","","","has coordinates","258835","2020-11-06","12:13:31",""
"7705485","11.0006","0.0006","17.8189","0.0009","26.0251","0.0013","99.165","0.001","100.607","0.001","97.564","0.001","4881.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H115 Cl8 F12 N6 Os2 P2 Sb2 -","- C89 H115 Cl8 F12 N6 Os2 P2 Sb2 -","- C178 H230 Cl16 F24 N12 Os4 P4 Sb4 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0511","0.0363","","","0.0899","0.0989","","","","","","1.024","","","","has coordinates,has disorder","258835","2020-11-06","12:13:31",""
"7705486","8.709","0.008","15.2562","0.0014","17.6428","0.0016","110.159","0.001","92.305","0.001","98.748","0.001","2164","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H42 Cl4 F12 N4 O Os Sb2 -","- C33 H42 Cl4 F12 N4 O Os Sb2 -","- C66 H84 Cl8 F24 N8 O2 Os2 Sb4 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.1011","0.0636","","","0.1225","0.1383","","","","","","1.082","","","","has coordinates,has disorder","258835","2020-11-06","12:13:31",""
"7705487","10.9424","0.0004","13.4216","0.0005","25.9506","0.001","90","","90","","90","","3811.2","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 Cl F6 N3 Os P Sb -","- C39 H44 Cl F6 N3 Os P Sb -","- C156 H176 Cl4 F24 N12 Os4 P4 Sb4 -","4","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0179","0.0175","","","0.0409","0.0411","","","","","","1.098","","","","has coordinates","258835","2020-11-06","12:13:32",""
"7705488","16.9772","0.0009","17.1277","0.0009","17.528","0.0009","84.738","0.001","66.434","0.001","67.571","0.001","4307.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33.75 H39.5 Cl3.5 F12 N4 O Os Sb2 -","- C33.75 H39.5 Cl3.5 F12 N4 O Os Sb2 -","- C135 H158 Cl14 F48 N16 O4 Os4 Sb8 -","4","2","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0957","0.069","","","0.1818","0.2048","","","","","","1.04","","","","has coordinates","258835","2020-11-06","12:13:32",""
"7705489","11.9061","0.0006","14.6917","0.0007","13.867","0.0006","90","","95.546","0.002","90","","2414.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Al N O10 -","- C6 H14 Al N O10 -","- C48 H112 Al8 N8 O80 -","8","2","","Hacaperková, Eliška; Jaroš, Adam; Kotek, Jan; Notni, Johannes; Straka, Michal; Kubíček, Vojtěch; Hermann, Petr","Al(III)-NTA-fluoride: a simple model system for Al-F binding with interesting thermodynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13726","13736","10.1039/d0dt02644a","","","1.54178","CuKα","","0.0351","0.0307","","","0.0797","0.0823","","","","","","1.072","","","","has coordinates","258817","2020-11-06","12:08:06",""
"7705490","19.5375","0.0006","9.0967","0.0002","13.0715","0.0005","90","","117.141","0.0012","90","","2067.34","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cd O8 -","- C9 H8 Cd O8 -","- C72 H64 Cd8 O64 -","8","1","","Ahamad, M. Naqi; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Metal organic frameworks decorated with free carboxylic acid groups: topology, metal capture and dye adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14690","14705","10.1039/d0dt02949a","","","0.71073","MoKα","","0.0199","0.019","","","0.0489","0.0496","","","","","","1.0616","","","","has coordinates","258792","2020-11-06","11:58:35",""
"7705491","10.6268","0.0006","11.0196","0.0006","22.5383","0.0013","90","","101.724","0.003","90","","2584.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu N2 O12 -","- C28 H18 Cu N2 O12 -","- C112 H72 Cu4 N8 O48 -","4","0.5","","Ahamad, M. Naqi; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Metal organic frameworks decorated with free carboxylic acid groups: topology, metal capture and dye adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14690","14705","10.1039/d0dt02949a","","","0.71073","MoKα","","0.0473","0.0348","","","0.0771","0.0881","","","","","","1.0865","","","","has coordinates","258792","2020-11-06","11:58:35",""
"7705492","22.4402","0.001","20.0572","0.001","19.5627","0.0009","90","","99.092","0.002","90","","8694.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 Ni2 O14 -","- C48 H36 N6 Ni2 O14 -","- C384 H288 N48 Ni16 O112 -","8","1","","Ahamad, M. Naqi; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Metal organic frameworks decorated with free carboxylic acid groups: topology, metal capture and dye adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14690","14705","10.1039/d0dt02949a","","","0.71073","MoKα","","0.0835","0.0509","","","0.1284","0.1729","","","","","","1.1805","","","","has coordinates","258792","2020-11-06","11:58:35",""
"7705493","15.1205","0.0006","10.7089","0.0007","15.3715","0.001","90","","95.057","0.004","90","","2479.3","0.2","155","40","155","40","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 Eu2 N4 O23 -","- C47 H41 Eu2 N4 O23 -","- C94 H82 Eu4 N8 O46 -","2","0.5","","Zhou, Shu-Fang; Hao, Biao-Biao; Lin, Tian; Zhang, Chen-Xi; Wang, Qing-Lun","A dual-functional MOF for high proton conduction and sensitive detection of ascorbic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14490","14496","10.1039/d0dt02834g","","","0.71073","MoKα","","0.0904","0.0648","","","0.1539","0.1848","","","","","","1.098","","","","has coordinates","258790","2020-11-06","11:57:44",""
"7705494","6.8276","0.0015","8.1623","0.0012","10.464","0.002","90.864","0.015","99.515","0.017","93.963","0.016","573.54","0.19","280","0.1","280","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","1","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","x-ray","0.71073","MoKα","","0.0866","0.064","","","0.1596","0.1707","","","","","","0.968","","","","has coordinates,has disorder","258819","2020-11-06","12:09:21",""
"7705495","23.016","0.011","6.822","0.003","7.656","0.004","90","","90.189","0.008","90","","1202.1","1","153","2","153","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-diaqua-bis(6-methyl-2-pyridone)(u/-pyrazine)copper(II) perchlorate","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C32 H44 Cl4 Cu2 N8 O24 -","2","0.25","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","0.71073","MoKα","","0.0382","0.038","","","0.1074","0.1076","","","","","","1.123","","","","has coordinates,has disorder","258819","2020-11-06","12:09:25",""
"7705496","23.0309","0.0019","6.8184","0.0005","7.7006","0.0015","90","","90.399","0.011","90","","1209.2","0.3","280","0.2","280","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C32 H44 Cl4 Cu2 N8 O24 -","2","0.25","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","1.54184","CuKα","","0.045","0.0398","","","0.1089","0.1174","","","","","","1.071","","","","has coordinates,has disorder","258819","2020-11-06","12:09:26",""
"7705497","15.0161","0.0002","6.8647","0.0001","22.3242","0.0003","90","","93.368","0.001","90","","2297.23","0.05","219.97","0.16","219.97","0.16","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-diaquabis(5-methyl-2-pyridone)pyrazinecopper(II) perchlorate","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C64 H88 Cl8 Cu4 N16 O48 -","4","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","1.54184","CuKα","","0.0293","0.0283","","","0.0741","0.0749","","","","","","1.122","","","","has coordinates","258819","2020-11-06","12:09:26",""
"7705498","6.8463","0.0003","8.0507","0.0005","11.6595","0.0006","79.958","0.005","73.894","0.004","66.235","0.005","563.63","0.06","120.01","0.16","120.01","0.16","","","","","","","","6","P -1","-P 1","2","","catena-diaquabis(5-methyl-2-pyridone)pyrazinecopper(II) perchlorate","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","1","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","1.54184","CuKα","","0.0586","0.0582","","","0.1677","0.1679","","","","","","1.254","","","","has coordinates","258819","2020-11-06","12:09:26",""
"7705499","6.8314","0.0006","8.1609","0.0009","10.4545","0.001","90.984","0.008","99.5","0.007","93.911","0.008","573.27","0.1","280","0.1","280","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","1","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","x-ray","0.71073","MoKα","","0.0973","0.0792","","","0.206","0.2306","","","","","","1.069","","","","has coordinates,has disorder","258819","2020-11-06","12:09:26",""
"7705500","7.4929","0.0002","11.727","0.0003","16.9268","0.0005","90","","90","","90","","1487.35","0.07","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H4 S3 Se -","- C5 H4 S3 Se -","- C40 H32 S24 Se8 -","8","1","","Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel","Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13737","13743","10.1039/d0dt02931a","","","0.71073","MoKα","","0.0214","0.0184","","","0.0449","0.0458","","","","","","1.054","","","","has coordinates","258821","2020-11-06","12:09:48",""
"7705501","9.4015","0.0003","17.8349","0.0005","17.9831","0.0005","90","","98.102","0.002","90","","2985.22","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Au N S4 Se2 -","- C24 H44 Au N S4 Se2 -","- C96 H176 Au4 N4 S16 Se8 -","4","1","","Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel","Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13737","13743","10.1039/d0dt02931a","","","0.71073","MoKα","","0.0585","0.0343","","","0.0586","0.0621","","","","","","1.037","","","","has coordinates,has disorder","258821","2020-11-06","12:09:48",""
"7705502","40.797","0.0014","6.46","0.0002","29.1807","0.0009","90","","125.885","0.001","90","","6230.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Au5 S20 Se10 -","- C40 H40 Au5 S20 Se10 -","- C160 H160 Au20 S80 Se40 -","4","0.5","","Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel","Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13737","13743","10.1039/d0dt02931a","","","0.71073","MoKα","","0.1136","0.0522","","","0.0804","0.0914","","","","","","0.969","","","","has coordinates,has disorder","258821","2020-11-06","12:09:48",""
"7705503","10.6678","0.0001","11.6671","0.0001","19.4498","0.0002","82.422","0.001","77.196","0.001","88.771","0.001","2339.88","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H82 F24 Lu2 N12 O5 -","- C98 H82 F24 Lu2 N12 O5 -","- C98 H82 F24 Lu2 N12 O5 -","1","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.028","0.0241","","","0.0559","0.0574","","","","","","1.057","","","","has coordinates,has disorder","258818","2020-11-06","12:08:59",""
"7705504","11.166","0.002","13.357","0.003","13.945","0.003","90","","96.1","0.03","90","","2068","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C43 H32 F8 Gd I N6 -","- C43 H32 F8 Gd I N6 -","- C86 H64 F16 Gd2 I2 N12 -","2","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0313","0.0294","","","0.0749","0.076","","","","","","1.113","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705505","12.763","0.003","15.85","0.003","19.836","0.004","90","","99.86","0.03","90","","3953.4","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 F12 Ho N6 O -","- C43 H29 F12 Ho N6 O -","- C172 H116 F48 Ho4 N24 O4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0782","0.0464","","","0.1026","0.1165","","","","","","0.996","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705506","8.816","0.0018","17.452","0.004","12.068","0.002","90","","100.2","0.03","90","","1827.4","0.7","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C38 H38 Ag2 F8 N4 O3 -","- C38 H38 Ag2 F8 N4 O3 -","- C76 H76 Ag4 F16 N8 O6 -","2","0.25","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0284","0.0282","","","0.0689","0.069","","","","","","1.055","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705507","12.25","0.003","15.84","0.003","17.389","0.004","90","","100.37","0.03","90","","3319","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 N8 O4 Yb2 -","- C70 H90 N8 O4 Yb2 -","- C140 H180 N16 O8 Yb4 -","2","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0579","0.0441","","","0.1085","0.1141","","","","","","1.057","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705508","12.807","0.003","15.953","0.003","19.959","0.004","90","","100.06","0.03","90","","4015.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 Dy F12 N6 O -","- C43 H29 Dy F12 N6 O -","- C172 H116 Dy4 F48 N24 O4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0407","0.0329","","","0.0826","0.0866","","","","","","1.043","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705509","11.232","0.002","13.487","0.003","13.952","0.003","90","","96.14","0.03","90","","2101.4","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C43 H32 F8 I N6 Tb -","- C43 H32 F8 I N6 Tb -","- C86 H64 F16 I2 N12 Tb2 -","2","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0507","0.0506","","","0.1249","0.125","","","","","","1.1","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705510","11.2093","0.0001","11.5339","0.0001","20.2881","0.0002","90.183","0.001","103.137","0.001","92.01","0.001","2552.6","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H42 F12 N7 Tb -","- C58 H42 F12 N7 Tb -","- C116 H84 F24 N14 Tb2 -","2","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0434","0.0399","","","0.0992","0.1012","","","","","","1.02","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705511","15.0846","0.0002","17.6395","0.0003","19.6763","0.0003","90","","90","","90","","5235.56","0.14","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H53 F12 N6 O4 Sm -","- C55 H53 F12 N6 O4 Sm -","- C220 H212 F48 N24 O16 Sm4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0678","0.0704","","","","","","1.035","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705512","26.332","0.005","20.789","0.004","17.983","0.004","90","","124.3","0.03","90","","8132","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H78 F16 I2 N10 O5 Tm2 -","- C82 H78 F16 I2 N10 O5 Tm2 -","- C328 H312 F64 I8 N40 O20 Tm8 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0701","0.059","","","0.1485","0.1615","","","","","","1.072","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705513","10.075","0.002","11.999","0.002","20.207","0.004","84.61","0.03","82.9","0.03","66.73","0.03","2224.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 F12 N6 O2 Yb -","- C47 H37 F12 N6 O2 Yb -","- C94 H74 F24 N12 O4 Yb2 -","2","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0439","0.0429","","","0.1138","0.1148","","","","","","1.079","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705514","14.4237","0.001","16.3753","0.0012","19.3779","0.0014","69.357","0.002","85.193","0.003","69.548","0.002","4009","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H124 Er4 F48 N24 O5 -","- C176 H124 Er4 F48 N24 O5 -","- C176 H124 Er4 F48 N24 O5 -","1","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0607","0.0439","","","0.1049","0.1208","","","","","","1.046","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705515","12.7928","0.0003","15.9417","0.0003","19.855","0.0004","90","","99.849","0.002","90","","3989.53","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 F12 N6 O Tm -","- C43 H29 F12 N6 O Tm -","- C172 H116 F48 N24 O4 Tm4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0449","0.0362","","","0.0902","0.0969","","","","","","1.033","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705516","11.51","0.002","12.02","0.002","16.94","0.003","92.65","0.03","96.67","0.03","107.52","0.03","2211.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Er F12 N7 O -","- C48 H34 Er F12 N7 O -","- C96 H68 Er2 F24 N14 O2 -","2","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0268","0.0242","","","0.0622","0.0633","","","","","","1.102","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705517","26.598","0.005","20.753","0.004","17.735","0.004","90","","123.82","0.03","90","","8133","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H78 F16 I2 Lu2 N10 O5 -","- C82 H78 F16 I2 Lu2 N10 O5 -","- C328 H312 F64 I8 Lu8 N40 O20 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0362","0.0326","","","0.0796","0.0816","","","","","","1.08","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705518","26.488","0.005","20.872","0.004","17.977","0.004","90","","124.22","0.03","90","","8218","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H78 Er2 F16 I2 N10 O5 -","- C82 H78 Er2 F16 I2 N10 O5 -","- C328 H312 Er8 F64 I8 N40 O20 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0816","0.0778","","","0.228","0.2335","","","","","","1.094","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705519","10.5982","0.0002","22.8059","0.0004","22.1814","0.0004","90","","95.019","0.002","90","","5340.72","0.17","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H86 F N4 Nd O2 -","- C58 H86 F N4 Nd O2 -","- C232 H344 F4 N16 Nd4 O8 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","x-ray","0.71073","MoKα","","0.0496","0.0345","","","0.0774","0.083","","","","","","1.032","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705520","13.58","0.003","18.1","0.004","22.51","0.005","85.52","0.03","75.4","0.03","69.6","0.03","5018","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F12 N6 Nd O3 -","- C51 H45 F12 N6 Nd O3 -","- C204 H180 F48 N24 Nd4 O12 -","4","2","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0881","0.0557","","","0.1423","0.1612","","","","","","1.025","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705521","20.47","0.004","12.133","0.002","21.508","0.004","90","","110.27","0.03","90","","5011","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Er F N4 O -","- C54 H78 Er F N4 O -","- C216 H312 Er4 F4 N16 O4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0294","0.0268","","","0.0677","0.0696","","","","","","1.054","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705522","13.51","0.003","18.03","0.004","22.57","0.005","85.87","0.03","75.52","0.03","69.45","0.03","4984","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F12 N6 O3 Tb -","- C51 H45 F12 N6 O3 Tb -","- C204 H180 F48 N24 O12 Tb4 -","4","2","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0581","0.0423","","","0.1107","0.1189","","","","","","1.054","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705523","13.55","0.003","18.07","0.004","22.5","0.005","85.81","0.03","75.52","0.03","69.65","0.03","5001","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F12 Gd N6 O3 -","- C51 H45 F12 Gd N6 O3 -","- C204 H180 F48 Gd4 N24 O12 -","4","2","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0679","0.0462","","","0.118","0.1301","","","","","","1.042","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705524","10.7555","0.0003","11.7896","0.0003","15.2935","0.0005","90","","108.304","0.002","90","","1841.14","0.09","295","2","295","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl2 Cu F N3 O S -","- C16 H13 Cl2 Cu F N3 O S -","- C64 H52 Cl8 Cu4 F4 N12 O4 S4 -","4","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.0711","0.0378","","","0.0979","0.1078","","","","","","0.921","","","","has coordinates","258783","2020-11-06","11:56:07",""
"7705525","28.4118","0.0008","9.2731","0.0003","13.7925","0.0005","90","","111.241","0.001","90","","3386.98","0.19","295","2","295","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl Cu F N3 O S -","- C16 H12 Cl Cu F N3 O S -","- C128 H96 Cl8 Cu8 F8 N24 O8 S8 -","8","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.0838","0.0542","","","0.1193","0.146","","","","","","0.99","","","","has coordinates","258783","2020-11-06","11:56:09",""
"7705526","10.559","0.0006","11.5979","0.0007","15.9749","0.0012","90","","72.947","0.006","90","","1870.3","0.2","295","2","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 Cu F N3 O S -","- C16 H13 Cl2 Cu F N3 O S -","- C64 H52 Cl8 Cu4 F4 N12 O4 S4 -","4","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.128","0.0549","","","0.1362","0.1586","","","","","","0.822","","","","has coordinates,has disorder","258783","2020-11-06","11:56:09",""
"7705527","46.817","0.001","20.7265","0.0005","7.2786","0.0001","90","","90","","90","","7062.8","0.2","295","2","295","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C16 H12 Cl2 Cu F N3 O S -","- C16 H12 Cl2 Cu F N3 O S -","- C256 H192 Cl32 Cu16 F16 N48 O16 S16 -","16","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.0711","0.0397","","","0.0794","0.0877","","","","","","0.903","","","","has coordinates","258783","2020-11-06","11:56:09",""
"7705528","7.287","0.002","22.731","0.007","11.092","0.003","90","","108.638","0.006","90","","1740.9","0.9","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 Cu F N3 O S -","- C16 H12 Cl2 Cu F N3 O S -","- C64 H48 Cl8 Cu4 F4 N12 O4 S4 -","4","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","0.71073","MoKα","","0.0834","0.06","","","0.1285","0.1443","","","","","","1.0291","","","","has coordinates,has disorder","258783","2020-11-06","11:56:09",""
"7705529","13.1191","0.0002","23.2974","0.0005","18.4253","0.0003","90","","94.8117","0.0004","90","","5611.68","0.17","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H62 N3 O P2 S3 Si3 V -","- C55 H62 N3 O P2 S3 Si3 V -","- C220 H248 N12 O4 P8 S12 Si12 V4 -","4","1","","Pan, Hung-Ruei; Wu, Zong-Han; Kuo, Chin-Ting; Ou, Han-Jang; Lee, Gene-Hsiang; Hsu, Hua-Fen","The dual roles of a V(III) centre for substrate binding and oxygen atom abstraction; nitrite reduction mediated by a V(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14393","14396","10.1039/d0dt03274c","","","0.71073","MoKα","","0.0471","0.0357","","","0.0842","0.0913","","","","","","1.033","","","","has coordinates","258799","2020-11-06","11:59:59",""
"7705530","19.3223","0.0007","4.6693","0.0001","17.6807","0.0006","90","","112.336","0.004","90","","1475.5","0.09","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H7 N2 Ni0.5 -","- C10 H7 N2 Ni0.5 -","- C80 H56 N16 Ni4 -","8","1","","Ukai, Shusaku; Koo, Yun Hee; Fukui, Norihito; Seki, Shu; Shinokubo, Hiroshi","Synthesis and electron-transport properties of a stable antiaromatic Ni<sup>II</sup> norcorrole with the smallest <i>meso</i>-substituent.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14383","14387","10.1039/d0dt03143g","","","0.71073","MoKα","","0.0486","0.045","","","0.1222","0.1253","","","","","","1.076","","","","has coordinates","258795","2020-11-06","11:59:11",""
"7705531","47.9882","0.0019","47.9882","0.0019","13.3456","0.001","90","","90","","120","","26616","2","296","2","296.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C35 H27 Eu N3 O16 Zn -","- C29 H11 Eu N O13 Zn -","- C522 H198 Eu18 N18 O234 Zn18 -","18","0.5","","Lv, Hongxiao; Chen, Hongtai; Fan, Liming; Zhang, Xiutang","Heterometallic {ZnEu}-metal-organic framework for efficient chemical fixation of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14656","14664","10.1039/d0dt02730h","","","0.71073","MoKα","","0.0544","0.0469","","","0.1116","0.1159","","","","","","1.093","","","","has coordinates,has disorder","258793","2020-11-06","11:58:47",""
"7705532","10.3019","0.0006","11.4706","0.0007","11.941","0.0007","92.148","0.002","103.691","0.002","107.901","0.002","1295.29","0.13","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 B F15 O2 -","- C24 H10 B F15 O2 -","- C48 H20 B2 F30 O4 -","2","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","K-L~3~","0.0455","0.0381","","","0.1046","0.1097","","","","","","1.032","","","","has coordinates","258781","2020-11-06","11:55:28",""
"7705533","29.422","0.004","10.4028","0.0013","15.1204","0.0019","90","","107.219","0.004","90","","4420.5","1","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H8 B F15 O2 -","- C23 H8 B F15 O2 -","- C184 H64 B8 F120 O16 -","8","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","","0.71073","MoKα","","0.038","0.0323","","","0.0777","0.081","","","","","","1.083","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705534","10.3038","0.0006","12.6157","0.0008","17.6372","0.0012","96.426","0.003","92.793","0.003","103.676","0.002","2206.9","0.2","127","","127","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H6 B F15 O3 -","- C22 H6 B F15 O3 -","- C88 H24 B4 F60 O12 -","4","2","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","K-L~3~","0.064","0.0444","","","0.0998","0.1076","","","","","","1.087","","","","has coordinates,has disorder","258781","2020-11-06","11:55:30",""
"7705535","14.9675","0.0008","13.4729","0.0007","20.689","0.001","90","","90","","90","","4172.1","0.4","124","2","124","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H8 B2 F30 O6 -","- C42 H8 B2 F30 O6 -","- C168 H32 B8 F120 O24 -","4","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","","0.71073","MoKα","","0.0502","0.0357","","","0.0724","0.0774","","","","","","1.043","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705536","11.5139","0.0008","9.2262","0.0006","19.1731","0.0013","90","","90.084","0.003","90","","2036.7","0.2","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H6 B F15 O -","- C21 H6 B F15 O -","- C84 H24 B4 F60 O4 -","4","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","","0.71073","MoKα","","0.0861","0.0541","","","0.131","0.1495","","","","","","1.021","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705537","14.448","0.0008","14.6266","0.0009","18.8637","0.0013","90","","90","","90","","3986.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H8 B2 F30 O4 -","- C42 H8 B2 F30 O4 -","- C168 H32 B8 F120 O16 -","4","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","","0.0503","0.0417","","","0.0999","0.1044","","","","","","1.021","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705538","14.8191","0.0009","13.943","0.001","20.8344","0.0015","90","","90","","90","","4304.9","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H6 B F15 O2 -","- C22 H6 B F15 O2 -","- C176 H48 B8 F120 O16 -","8","2","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","","0.0529","0.0466","","","0.1146","0.1182","","","","","","1.05","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705539","10.9695","0.0013","12.706","0.002","14.559","0.002","111.713","0.01","95.023","0.008","113.158","0.006","1667.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","1","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.0832","0.0472","","","0.1013","0.1154","","","","","","1.011","","","","has coordinates,has disorder","258841","2020-11-06","12:16:23",""
"7705540","11.0215","0.0006","13.0845","0.0008","14.7338","0.0008","111.755","0.003","94.625","0.003","113.785","0.003","1738.38","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","1","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.1395","0.075","","","0.1394","0.1552","","","","","","1.041","","","","has coordinates,has disorder","258841","2020-11-06","12:16:24",""
"7705541","11.3934","0.001","13.1548","0.0012","14.1256","0.0013","101.165","0.003","107.024","0.003","114.891","0.003","1709.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","1","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.1035","0.065","","","0.1666","0.189","","","","","","1.054","","","","has coordinates,has disorder","258841","2020-11-06","12:16:24",""
"7705542","25.906","0.003","20.793","0.002","24.835","0.004","90","","116.407","0.005","90","","11982","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H192 Mn11 N6 O34 -","- C96 H192 Mn11 N6 O34 -","- C384 H768 Mn44 N24 O136 -","4","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.3273","0.1289","","","0.3278","0.438","","","","","","1.049","","","","has coordinates","258841","2020-11-06","12:16:24",""
"7705543","12.007","0.002","12.226","0.001","23.179","0.002","90.59","0.01","92.17","0.01","91.24","0.01","3399.2","0.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 N2 O5 P Pd -","- C39 H36 N O5 P Pd -","- C156 H144 N4 O20 P4 Pd4 -","4","2","","Abedanzadeh, Sedigheh; Karami, Kazem; Rahimi, Mostafa; Edalati, Masoud; Abedanzadeh, Mozhgan; Tamaddon, Ali Mohammad; Jahromi, Maryam Dehdashti; Amirghofran, Zahra; Lipkowski, Janusz; Lyczko, Krzysztof","Potent cyclometallated Pd(II) antitumor complexes bearing α-amino acids: synthesis, structural characterization, DNA/BSA binding, cytotoxicity and molecular dynamics simulation.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14891","14907","10.1039/d0dt02304c","","","","","","0.121","","","","","","","","","","","","","","","has coordinates","258809","2020-11-06","12:03:45",""
"7705544","13.5137","0.0004","14.6165","0.0003","22.3671","0.0006","98.591","0.002","97.338","0.002","90.613","0.002","4330.7","0.2","108.3","0.1","108.3","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90.1 H95.59 Cl4.61 Cu2 N6 O9.7 P4 -","- C90.094 H95.584 Cl4.604 Cu2 N6 O9.698 P4 -","- C180.188 H191.168 Cl9.208 Cu4 N12 O19.396 P8 -","2","1","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","x-ray","0.71073","MoKα","","0.0959","0.0676","","","0.1503","0.1668","","","","","","1.058","","","","has coordinates,has disorder","258813","2020-11-06","12:06:27",""
"7705545","19.806","0.003","15.506","0.002","32.903","0.004","90","","103.673","0.012","90","","9819","2","108.3","0.1","108.3","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H102 Cl2 Cu2 N6 O11 P4 -","- C108 H102 Cl2 Cu2 N6 O11 P4 -","- C432 H408 Cl8 Cu8 N24 O44 P16 -","4","0.5","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","","0.71073","MoKα","","0.2606","0.1192","","","0.2432","0.3237","","","","","","1.009","","","","has coordinates","258813","2020-11-06","12:06:28",""
"7705546","13.6176","0.0003","13.8696","0.00018","16.3807","0.0002","71.4901","0.0012","65.5328","0.0015","64.5233","0.0015","2505.37","0.08","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H90 Cl8 Cu2 N6 O8 P4 -","- C106 H84 Cl2 Cu2 N6 O8 P4 -","- C106 H84 Cl2 Cu2 N6 O8 P4 -","1","0.5","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","","1.54184","CuKα","","0.0409","0.0386","","","0.105","0.1067","","","","","","1.0324","","","","has coordinates,has disorder","258813","2020-11-06","12:06:28",""
"7705547","13.2249","0.0004","14.9229","0.0004","21.776","0.0006","72.522","0.002","74.29","0.002","80.072","0.002","3926.6","0.2","108.3","0.1","108.3","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H71 Cl5 Cu2 N10 O8 P4 -","- C82 H68 Cl2 Cu2 N10 O8 P4 -","- C164 H136 Cl4 Cu4 N20 O16 P8 -","2","1","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","","0.71073","MoKα","","0.0564","0.0435","","","0.0971","0.1038","","","","","","1.0468","","","","has coordinates,has disorder","258813","2020-11-06","12:06:28",""
"7705548","13.9014","0.0006","19.6282","0.0009","14.2188","0.0006","90","","98.387","0.001","90","","3838.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 Cl F6 N5 P3 Ru -","- C38 H39 Cl F6 N5 P3 Ru -","- C152 H156 Cl4 F24 N20 P12 Ru4 -","4","1","","Wise, Dan E.; Gamble, Aimee J.; Arkawazi, Sham W.; Walton, Paul H.; Galan, M. Carmen; O'Hagan, Michael P; Hogg, Karen G.; Marrison, Joanne L.; O'Toole, Peter J; Sparkes, Hazel A.; Lynam, Jason M.; Pringle, Paul G.","Cytotoxic (<i>cis</i>,<i>cis</i>-1,3,5-triaminocyclohexane)ruthenium(II)-diphosphine complexes; evidence for covalent binding <i>and</i> intercalation with DNA.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15219","15230","10.1039/d0dt02612c","","","0.71073","MoKα","","0.0534","0.035","","","0.0695","0.0762","","","","","","1.015","","","","has coordinates,has disorder","260744","2021-01-07","06:15:29",""
"7705549","12.2153","0.0003","8.489","0.0003","13.6679","0.0005","90","","92.201","0.002","90","","1416.26","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Al2 N4 -","- C28 H46 Al2 N4 -","- C56 H92 Al4 N8 -","2","0.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0439","0.0364","","","0.0906","0.0962","","","","","","1.025","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705550","8.6606","0.0001","15.189","0.0002","17.337","0.0002","90","","102.02","0.001","90","","2230.61","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N4 Zn -","- C24 H36 N4 Zn -","- C96 H144 N16 Zn4 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.39222","CuKβ","","0.0272","0.0253","","","0.0697","0.0712","","","","","","1.049","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705551","8.7239","0.0001","15.064","0.0002","17.5875","0.0003","90","","104.291","0.002","90","","2239.77","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Mg N4 -","- C24 H36 Mg N4 -","- C96 H144 Mg4 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0343","0.0317","","","0.085","0.0875","","","","","","1.027","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705552","8.05464","0.00011","18.54236","0.00019","8.27176","0.0001","90","","114.327","0.0016","90","","1125.71","0.03","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N4 -","- C24 H38 N4 -","- C48 H76 N8 -","2","0.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0366","0.0339","","","0.0885","0.0918","","","","","","1.031","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705553","9.7448","0.0002","13.2241","0.0002","18.4085","0.0003","90","","103.626","0.002","90","","2305.47","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 Al N4 -","- C24 H37 Al N4 -","- C96 H148 Al4 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0445","0.0368","","","0.0903","0.0956","","","","","","1.045","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705554","9.2946","0.0003","10.3097","0.0003","15.5461","0.0006","104.387","0.003","90.487","0.003","109.209","0.003","1355.99","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H44 N4 Zn2 -","- C28 H44 N4 Zn2 -","- C56 H88 N8 Zn4 -","2","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0334","0.0277","","","0.0674","0.0706","","","","","","1.044","","","","has coordinates,has disorder","258836","2020-11-06","12:13:58",""
"7705555","9.4698","0.0003","12.9516","0.0005","12.8812","0.0004","90","","107.433","0.004","90","","1507.3","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Al2 N4 -","- C28 H48 Al2 N4 -","- C56 H96 Al4 N8 -","2","0.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0494","0.046","","","0.1119","0.1144","","","","","","1.146","","","","has coordinates,has disorder","258836","2020-11-06","12:13:58",""
"7705556","13.8445","0.0002","17.9944","0.0002","18.8137","0.0002","90","","90","","90","","4686.93","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H72 N6 O Si4 Sn2 -","- C36 H72 N6 O Si4 Sn2 -","- C144 H288 N24 O4 Si16 Sn8 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.39222","CuKβ","","0.0183","0.0178","","","0.0428","0.0431","","","","","","1.04","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705557","12.0676","0.0003","13.4021","0.0003","15.1427","0.0003","90","","95.948","0.002","90","","2435.86","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Al2 N4 O0.5 -","- C22 H40 Al2 N4 O0.5 -","- C88 H160 Al8 N16 O2 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0447","0.0403","","","0.1076","0.1107","","","","","","1.067","","","","has coordinates,has disorder","258836","2020-11-06","12:13:58",""
"7705558","31.9265","0.0007","7.4319","0.0002","13.1546","0.0003","90","","98.015","0.002","90","","3090.76","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Al2 N4 -","- C29 H50 Al2 N4 -","- C116 H200 Al8 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0564","0.0448","","","0.1197","0.1294","","","","","","1.038","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705559","17.1511","0.0001","21.9866","0.0002","12.9305","0.0001","90","","91.116","0.001","90","","4875.09","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N4 Zn -","- C26 H40 N4 Zn -","- C208 H320 N32 Zn8 -","8","2","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.39222","CuKβ","","0.0328","0.0299","","","0.076","0.0778","","","","","","1.027","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705560","18.2567","0.0003","11.3141","0.0002","11.7597","0.0002","90","","90","","90","","2429.06","0.07","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H40 Mg N4 -","- C26 H40 Mg N4 -","- C104 H160 Mg4 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0245","0.0242","","","0.0641","0.0643","","","","","","1.037","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705561","13.2404","0.0003","14.7403","0.0003","12.6651","0.0004","90","","117.329","0.004","90","","2195.92","0.12","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Al2 N4 -","- C18 H36 Al2 N4 -","- C72 H144 Al8 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0393","0.0336","","","0.0925","0.0976","","","","","","1.034","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705562","8.5472","0.0002","18.572","0.0004","14.0121","0.0003","90","","98.247","0.002","90","","2201.26","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N4 -","- C24 H36 N4 -","- C96 H144 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.049","0.0402","","","0.0998","0.105","","","","","","1.04","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705563","13.0262","0.0001","16.2087","0.0002","33.3195","0.0003","90","","96.394","0.001","90","","6991.24","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H76 N6 Si4 Sn2 -","- C38 H76 N6 Si4 Sn2 -","- C228 H456 N36 Si24 Sn12 -","6","1.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0249","0.0224","","","0.0544","0.0559","","","","","","1.025","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705564","19.364","0.004","11.864","0.003","14.588","0.003","90","","104.857","0.003","90","","3239.3","1.3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 Pt Se -","- C18 H15 N O2 Pt Se -","- C144 H120 N8 O16 Pt8 Se8 -","8","2","","Wang, Dezhi; Chen, Xi; Yang, Hua; Zhong, Daokun; Liu, Boao; Yang, Xiaolong; Yue, Ling; Zhou, Guijiang; Ma, Miaofeng; Wu, Zhaoxin","The synthesis of cyclometalated platinum(II) complexes with benzoaryl-pyridines as C^N ligands for investigating their photophysical, electrochemical and electroluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15633","15645","10.1039/d0dt02224a","","","0.71073","MoKα","","0.0343","0.0247","","","0.0559","0.0604","","","","","","1.036","","","","has coordinates","260729","2021-01-07","06:10:45",""
"7705565","19.507","0.005","12.005","0.003","14.592","0.004","90","","103.877","0.003","90","","3317.4","1.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 Pt Te -","- C18 H15 N O2 Pt Te -","- C144 H120 N8 O16 Pt8 Te8 -","8","2","","Wang, Dezhi; Chen, Xi; Yang, Hua; Zhong, Daokun; Liu, Boao; Yang, Xiaolong; Yue, Ling; Zhou, Guijiang; Ma, Miaofeng; Wu, Zhaoxin","The synthesis of cyclometalated platinum(II) complexes with benzoaryl-pyridines as C^N ligands for investigating their photophysical, electrochemical and electroluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15633","15645","10.1039/d0dt02224a","","","0.71073","MoKα","","0.0428","0.0314","","","0.075","0.0809","","","","","","1.033","","","","has coordinates","260729","2021-01-07","06:10:46",""
"7705566","18.9408","0.001","9.9747","0.0004","33.4503","0.0017","90","","98.379","0.005","90","","6252.3","0.5","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C62 H53 Cl2 Co N11 O8 -","- C62 H53 Cl2 Co N11 O8 -","- C248 H212 Cl8 Co4 N44 O32 -","4","0.5","","Banasz, Radosław; Kubicki, Maciej; Wałęsa-Chorab, Monika","Yellow-to-brown and yellow-to-green electrochromic devices based on complexes of transition metal ions with a triphenylamine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15041","15053","10.1039/d0dt03232h","","x-ray","1.54184","CuKα","","0.1097","0.0885","","","0.231","0.2452","","","","","","1.155","","","","has coordinates","258815","2020-11-06","12:06:55",""
"7705567","9.6484","0.001","5.2515","0.0005","22.483","0.002","90","","96.382","0.01","90","","1132.12","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9.5 H10.5 N1.5 O3.5 P Zn -","- C8 H7 N O3 P Zn -","- C32 H28 N4 O12 P4 Zn4 -","4","1","","Liu, Ai-Ju; Han, Yue; Xu, Fei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Coordinate bond- and hydrogen bond-assisted electron transfer strategy towards the generation of photochromic metal phosphites.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14598","14604","10.1039/d0dt03010d","","","0.71073","MoKα","","0.0528","0.0357","","","0.0741","0.0789","","","","","","0.964","","","","has coordinates","258789","2020-11-06","11:57:36",""
"7705568","16.793","0.0007","16.793","0.0007","27.809","0.003","90","","90","","90","","7842.3","1","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C66 H62 Cl8 N6 O14 P4 Zn5 -","- C66 H62 Cl8 N6 O14 P4 Zn5 -","- C264 H248 Cl32 N24 O56 P16 Zn20 -","4","0.25","","Liu, Ai-Ju; Han, Yue; Xu, Fei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Coordinate bond- and hydrogen bond-assisted electron transfer strategy towards the generation of photochromic metal phosphites.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14598","14604","10.1039/d0dt03010d","","","0.71073","MoKα","","0.0839","0.0485","","","0.1319","0.145","","","","","","1.043","","","","has coordinates,has disorder","258789","2020-11-06","11:57:37",""
"7705569","10.869","0.002","18.441","0.004","21.954","0.004","90","","90","","90","","4400.4","1.5","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H18 F36 K2 O9 Sn -","- C27 H18 F36 K2 O9 Sn -","- C108 H72 F144 K8 O36 Sn4 -","4","0.5","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","x-ray","0.71073","MoKα","","0.0715","0.053","","","0.0921","0.0969","","","","","","1.268","","","","has coordinates","258825","2020-11-06","12:10:42",""
"7705570","27.5254","0.0011","10.747","0.0004","28.7368","0.0015","90","","114.007","0.002","90","","7765.4","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 F24 K2 O26 Sn -","- C60 H96 F24 K2 O26 Sn -","- C240 H384 F96 K8 O104 Sn4 -","4","0.5","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","x-ray","0.71073","MoKα","","0.0617","0.0389","","","0.0708","0.0783","","","","","","1.009","","","","has coordinates","258825","2020-11-06","12:10:43",""
"7705571","15.1378","0.0016","16.2438","0.0016","16.2454","0.0016","99.54","0.003","114.932","0.003","112.822","0.003","3068.9","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H42 F36 K2 O16 Sn -","- C39 H42 F36 K2 O16 Sn -","- C78 H84 F72 K4 O32 Sn2 -","2","1","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","","0.71073","MoKα","","0.0488","0.0402","","","0.1045","0.1102","","","","","","1.127","","","","has coordinates,has disorder","258825","2020-11-06","12:10:43",""
"7705572","16.6806","0.0014","12.1477","0.001","14.6638","0.0013","90","","95.237","0.005","90","","2958.9","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F24 K2 O6 Sn -","- C20 H16 F24 K2 O6 Sn -","- C80 H64 F96 K8 O24 Sn4 -","4","0.5","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","","0.71073","MoKα","","0.0514","0.0399","","","0.094","0.1022","","","","","","1.031","","","","has coordinates,has disorder","258825","2020-11-06","12:10:43",""
"7705573","12.3859","0.0009","14.3035","0.0011","15.7748","0.0013","82.239","0.002","80.467","0.002","70.003","0.002","2580.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 F36 N2 O8 Sn -","- C36 H44 F36 N2 O8 Sn -","- C72 H88 F72 N4 O16 Sn2 -","2","1","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","x-ray","0.71073","MoKα","","0.0582","0.0378","","","0.0664","0.0734","","","","","","1.009","","","","has coordinates","258825","2020-11-06","12:10:43",""
"7705574","10.025","0.002","11.767","0.002","26.548","0.003","90","","99.56","0.02","90","","3088.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Br In N4 -","- C30 H46 Br In N4 -","- C120 H184 Br4 In4 N16 -","4","1","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.56086","AgKα","","0.0385","0.0257","","","0.0485","0.0517","","","","","","1.03","","","","has coordinates","258853","2020-11-06","12:18:49",""
"7705575","20.114","0.003","9.71","0.002","16.382","0.002","90","","94.76","0.02","90","","3188.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 I In N4 -","- C30 H46 I In N4 -","- C120 H184 I4 In4 N16 -","4","0.5","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.71073","MoKα","","0.0153","0.0146","","","0.0364","0.0369","","","","","","1.039","","","","has coordinates,has disorder","258853","2020-11-06","12:18:51",""
"7705576","9.763","0.002","21.991","0.003","15.761","0.002","90","","94.32","0.02","90","","3374.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H50 Br In N4 -","- C33.5 H50 Br In N4 -","- C134 H200 Br4 In4 N16 -","4","1","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.71073","MoKα","","0.0209","0.0172","","","0.0402","0.0415","","","","","","1.034","","","","has coordinates,has disorder","258853","2020-11-06","12:18:55",""
"7705577","12.09","0.002","10.862","0.002","17.663","0.003","90","","104.5","0.02","90","","2245.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Br2 In2 N4 -","- C46 H58 Br2 In2 N4 -","- C92 H116 Br4 In4 N8 -","2","0.5","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.71073","MoKα","","0.0192","0.0173","","","0.0446","0.0454","","","","","","1.067","","","","has coordinates","258853","2020-11-06","12:18:58",""
"7705578","10.9641","0.0008","13.1791","0.0008","14.2135","0.001","80.151","0.003","84.789","0.003","82.795","0.003","2002.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","PJ-145","","- C47 H40 Cl O6 P W -","- C47 H40 Cl O6 P W -","- C94 H80 Cl2 O12 P2 W2 -","2","1","","Junker, Philip; Villalba Franco, José M; Schnakenburg, Gregor; Nesterov, Vitaly; Boere, René T; Qu, Zheng-Wang; Streubel, Rainer","Formation and properties of phosphaquinomethane tungsten(0) complexes - isolation and conversion of primary radical coupling products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13544","13548","10.1039/d0dt03089a","","","0.71073","MoKα","","0.0217","0.0186","","","0.0429","0.0445","","","","","","1.075","","","","has coordinates","258838","2020-11-06","12:14:39",""
"7705579","30.3039","0.0003","30.3039","0.0003","8.2725","0.0001","90","","90","","90","","7596.85","0.14","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H7 Eu N O5 -","- C13 H7 Eu N O5 -","- C208 H112 Eu16 N16 O80 -","16","1","","Li, Bo; Jiang, Yu-Ying; Sun, Ya-Ya; Wang, Yan-Jiang; Han, Min-Le; Wu, Ya-Pan; Ma, Lu-Fang; Li, Dong-Sheng","The highly selective detecting of antibiotics and support of noble metal catalysts by a multifunctional Eu-MOF.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14854","14862","10.1039/d0dt03176c","","x-ray","1.54184","CuKα","","0.0352","0.0335","","","0.0863","0.0872","","","","","","1.061","","","","has coordinates","258806","2020-11-06","12:02:39",""
"7705580","12.3017","0.0003","21.3897","0.0004","27.2421","0.0007","90","","117.125","0.003","90","","6379.8","0.3","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 Au Cl4 F6 N O4 P2 S2 -","- C64 H94 Au Cl4 F6 N O4 P2 S2 -","- C256 H376 Au4 Cl16 F24 N4 O16 P8 S8 -","4","1","","Voloshkin, Vladislav A.; Saab, Marina; Van Hecke, Kristof; Lau, Sii Hong; Carrow, Bradley P.; Nolan, Steven P.","Synthesis, reactivity and catalytic activity of Au-PAd<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13872","13879","10.1039/d0dt03330h","","x-ray","1.54184","CuKα","","0.0981","0.0856","","","0.185","0.1924","","","","","","1.022","","","","has coordinates,has disorder","258833","2020-11-06","12:12:55",""
"7705581","12.1478","0.0003","13.53","0.0004","18.3502","0.0007","90.375","0.003","101.684","0.003","101.124","0.003","2894.78","0.16","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H45 Au F3 O3 P S -","- C31 H45 Au F3 O3 P S -","- C124 H180 Au4 F12 O12 P4 S4 -","4","2","","Voloshkin, Vladislav A.; Saab, Marina; Van Hecke, Kristof; Lau, Sii Hong; Carrow, Bradley P.; Nolan, Steven P.","Synthesis, reactivity and catalytic activity of Au-PAd<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13872","13879","10.1039/d0dt03330h","","x-ray","0.71073","MoKα","","0.0519","0.0346","","","0.0668","0.0743","","","","","","1.032","","","","has coordinates","258833","2020-11-06","12:12:58",""
"7705582","10.5518","0.0011","21.069","0.002","24.247","0.002","90","","90","","90","","5390.5","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 Dy F9 N4 O6.5 S5 -","- C51 H35 Dy F9 N4 O6.5 S5 -","- C204 H140 Dy4 F36 N16 O26 S20 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.0504","0.0416","","","0.1039","0.1079","","","","","","1.012","","","","has coordinates","258808","2020-11-06","12:03:25",""
"7705583","10.6671","0.0002","25.8281","0.0006","20.6774","0.0004","90","","102.381","0.001","90","","5564.4","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H42 Dy F9 N4 O9 S3 -","- C59 H42 Dy F9 N4 O9 S3 -","- C236 H168 Dy4 F36 N16 O36 S12 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.1113","0.0656","","","0.1698","0.185","","","","","","1.056","","","","has coordinates","258808","2020-11-06","12:03:29",""
"7705584","10.1831","0.0012","22.233","0.003","21.689","0.003","90","","101.119","0.005","90","","4818.2","1.1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H28 Dy F9 N4 O6 S3 -","- C50 H28 Dy F9 N4 O6 S3 -","- C200 H112 Dy4 F36 N16 O24 S12 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.0659","0.0581","","","0.1601","0.1641","","","","","","1.097","","","","has coordinates","258808","2020-11-06","12:03:35",""
"7705585","13.6667","0.0012","19.2642","0.0018","41.493","0.004","90","","91.986","0.005","90","","10917.6","1.8","193","2","192.95","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Dy F9 N4 O7 S3 -","- C52 H32 Dy F9 N4 O7 S3 -","- C416 H256 Dy8 F72 N32 O56 S24 -","8","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.158","0.1038","","","0.2204","0.2428","","","","","","1.139","","","","has coordinates,has disorder","258808","2020-11-06","12:03:35",""
"7705586","13.6952","0.0011","19.2367","0.0014","41.347","0.003","90","","92.205","0.002","90","","10884.8","1.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H60 Dy2 F18 N8 O15 S6 -","- C102 H60 Dy2 F18 N8 O15 S6 -","- C408 H240 Dy8 F72 N32 O60 S24 -","4","0.5","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.1437","0.0921","","","0.2027","0.2255","","","","","","1.099","","","","has coordinates,has disorder","258808","2020-11-06","12:03:35",""
"7705587","7.29023","0.00008","15.38948","0.00019","22.8617","0.0003","90","","90","","90","","2564.92","0.05","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl3 N5 O3 V -","- C25 H27 Cl3 N5 O3 V -","- C100 H108 Cl12 N20 O12 V4 -","4","1","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0819","0.084","","","","","","1.002","","","","has coordinates","260745","2021-01-07","06:15:39",""
"7705588","19.5934","0.0003","7.4977","0.00008","20.3843","0.0003","90","","112.382","0.0018","90","","2768.97","0.07","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Cl N5 O5 V -","- C26 H31 Cl N5 O5 V -","- C104 H124 Cl4 N20 O20 V4 -","4","1","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.037","0.0307","","","0.0789","0.0835","","","","","","1.001","","","","has coordinates","260745","2021-01-07","06:15:50",""
"7705589","13.9738","0.0002","14.3549","0.0002","27.3124","0.0004","90","","90","","90","","5478.66","0.14","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H23.5 N7.5 O2.5 S2 V -","- C26.5 H23.5 N7.5 O2.5 S2 V -","- C212 H188 N60 O20 S16 V8 -","8","2","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.0472","0.037","","","0.0811","0.0868","","","","","","1","","","","has coordinates,has disorder","260745","2021-01-07","06:15:54",""
"7705590","7.8431","0.0006","23.827","0.002","8.7706","0.0007","90","","114.206","0.009","90","","1494.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Cl N3 -","- C18 H15 Cl N3 -","- C72 H60 Cl4 N12 -","4","1","","Longevial, Jean-François; Miyagawa, Kazuya; Shinokubo, Hiroshi","Site-selective halogenation on <i>meso</i>-mesityl substituents of 10,20-dimesityl-5,15-diazaporphyrins with an AuX<sub>3</sub>/AgOTf combination.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14786","14789","10.1039/d0dt02727h","","","0.71073","MoKα","","0.1246","0.1135","","","0.2103","0.2151","","","","","","1.173","","","","has coordinates,has disorder","258804","2020-11-06","12:02:11",""
"7705591","28.136","0.002","17.1992","0.0013","7.4871","0.0006","90","","90","","90","","3623.1","0.5","100","","100","","","","","","","","see text","9","P n m a","-P 2ac 2n","62","","","","- C34 H30 Ag Cl3 F0 N8 Ni O S -","- C34 H30 Ag Cl3 N8 Ni O S -","- C136 H120 Ag4 Cl12 N32 Ni4 O4 S4 -","4","0.5","","Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E","Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14106","14114","10.1039/d0dt02598d","","x-ray","0.71073","MoKα","","0.0449","0.0382","","","0.0804","0.0831","","","","","","1.086","","","","has coordinates","258850","2020-11-06","12:18:07",""
"7705592","17.3811","0.0014","14.485","0.0012","16.7476","0.0013","90","","116.674","0.003","90","","3767.7","0.5","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F6 N8 O7 Pd S3 -","- C36 H30 F6 N8 O7 Pd S3 -","- C144 H120 F24 N32 O28 Pd4 S12 -","4","1","","Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E","Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14106","14114","10.1039/d0dt02598d","","x-ray","0.71073","MoKα","","0.0446","0.0378","","","0.083","0.0857","","","","","","1.138","","","","has coordinates,has disorder","258850","2020-11-06","12:18:08",""
"7705593","11.3026","0.0009","11.4231","0.0008","16.8559","0.0011","107.288","0.003","109.258","0.003","93.842","0.003","1928.5","0.2","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C34 H24 F6 N8 O6 Pt S2 -","- C34 H24 F6 N8 O6 Pt S2 -","- C68 H48 F12 N16 O12 Pt2 S4 -","2","1","","Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E","Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14106","14114","10.1039/d0dt02598d","","x-ray","0.71073","MoKα","","0.0451","0.0424","","","0.0977","0.0987","","","","","","1.161","","","","has coordinates,has disorder","258850","2020-11-06","12:18:08",""
"7705594","23.2563","0.0007","8.9664","0.0003","22.4002","0.0007","90","","105.104","0.003","90","","4509.6","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Au Cl4 N2 -","- C24 H17 Au Cl4 N2 -","- C192 H136 Au8 Cl32 N16 -","8","1","","Tashiro, Shohei; Shimizu, Shun; Kuritani, Masumi; Shionoya, Mitsuhiko","Protonation-induced self-assembly of bis-phenanthroline macrocycles into nanofibers arrayed with tetrachloroaurate, hexachloroplatinate or phosphomolybdate ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13948","13953","10.1039/d0dt03287e","","","0.71075","MoKα","","0.0195","0.0173","","","0.0403","0.0409","","","","","","1.036","","","","has coordinates","258858","2020-11-06","12:20:06",""
"7705595","12.2456","0.00012","12.336","0.00015","13.6994","0.00018","115.98","0.0012","95.1937","0.0009","102.833","0.0009","1771.73","0.04","93","","93","","","","","","","","","6","P 1","P 1","1","","","","- C54 H49 Mo12 N6 O42 P -","- C54 H49 Mo12 N6 O42 P -","- C54 H49 Mo12 N6 O42 P -","1","1","","Tashiro, Shohei; Shimizu, Shun; Kuritani, Masumi; Shionoya, Mitsuhiko","Protonation-induced self-assembly of bis-phenanthroline macrocycles into nanofibers arrayed with tetrachloroaurate, hexachloroplatinate or phosphomolybdate ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13948","13953","10.1039/d0dt03287e","","","0.71073","MoKα","","0.0332","0.0329","","","0.0835","0.0843","","","","","","1.033","","","","has coordinates","258858","2020-11-06","12:20:06",""
"7705596","12.2029","0.0002","13.3559","0.0002","13.8683","0.0002","80.7745","0.0014","67.0066","0.0017","80.4839","0.0016","2040.61","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cl6 N4 Pt -","- C48 H34 Cl6 N4 Pt -","- C96 H68 Cl12 N8 Pt2 -","2","1","","Tashiro, Shohei; Shimizu, Shun; Kuritani, Masumi; Shionoya, Mitsuhiko","Protonation-induced self-assembly of bis-phenanthroline macrocycles into nanofibers arrayed with tetrachloroaurate, hexachloroplatinate or phosphomolybdate ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13948","13953","10.1039/d0dt03287e","","","0.71073","MoKα","","0.0326","0.026","","","0.0527","0.0544","","","","","","1.035","","","","has coordinates","258858","2020-11-06","12:20:06",""
"7705597","5.407","0.0013","8.507","0.003","11.507","0.005","109.32","0.03","93.16","0.03","96.25","0.03","494.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazole hydrate","","- C8 H9 N7 O -","- C8 H9 N7 O -","- C16 H18 N14 O2 -","2","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0755","0.049","","","0.1198","0.138","","","","","","1.053","","","","has coordinates","258791","2020-11-06","11:58:06",""
"7705598","6.852","0.0009","9.194","0.0017","10.155","0.0016","72.687","0.018","81.788","0.018","86.177","0.014","604.29","0.18","293","2","293","2","","","","","","","Slow cooling to room temperature of a hot saturated NaOH water solution.","5","P -1","-P 1","2","","Sodium 4-Methyl-7-(2-pyrazinyl)-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolate","","- C8 H12 N7 Na O3 -","- C8 H12 N7 Na O3 -","- C16 H24 N14 Na2 O6 -","2","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0571","0.0384","","","0.0908","0.0997","","","","","","1.06","","","","has coordinates","258791","2020-11-06","11:58:10",""
"7705599","9.282","0.003","10.5","0.009","13.206","0.012","107.35","0.07","90.6","0.06","101.75","0.04","1199.3","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis([4-Methyl-7-(2-pyrazinyl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazole k^2^-N1,N6-k^1^-N2'-triaquo-k^1^-N7-pentabromodizincate]Zinc(II)) dihydrate","","- C16 H30 Br12 N14 O8 Zn6 -","- C16 H30 Br12 N14 O8 Zn6 -","- C16 H30 Br12 N14 O8 Zn6 -","1","0.5","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.1301","0.0602","","","0.1082","0.1316","","","","","","1.018","","","","has coordinates","258791","2020-11-06","11:58:19",""
"7705600","8.787","0.0017","16.25","0.004","41.341","0.007","90","","90","","90","","5903","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>-7<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium tetrachlorozincate","","- C16 H18 Cl8 N14 Zn2 -","- C16 H18 Cl8 N14 Zn2 -","- C128 H144 Cl64 N112 Zn16 -","8","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0928","0.0686","","","0.1662","0.1768","","","","","","1.161","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705601","12.137","0.0019","15.25","0.0011","10.851","0.003","90","","90","","90","","2008.4","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>-7<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium hexachlorostannate dihydrate","","- C8 H13 Cl6 N7 O2 Sn -","- C8 H13 Cl6 N7 O2 Sn -","- C32 H52 Cl24 N28 O8 Sn4 -","4","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0295","0.0231","","","0.0514","0.055","","","","","","1.075","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705602","5.29","0.002","16.438","0.004","12.291","0.004","90","","107.96","0.02","90","","1016.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium chloride","","- C8 H8 Cl N7 -","- C8 H8 Cl N7 -","- C32 H32 Cl4 N28 -","4","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0997","0.0485","","","0.0862","0.1022","","","","","","1.022","","","","has coordinates","258791","2020-11-06","11:58:21",""
"7705603","10.745","0.002","11.371","0.003","12.811","0.002","71.003","0.012","76.242","0.015","73.412","0.016","1400.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis([4-Methyl-7-(2-pyrazinyl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazole k^2^-N1,N6-k^1^-N2']dichlorideZinc(II)) pentahydrate","","- C32 H48 Cl8 Cu4 N28 O10 -","- C32 H48 Cl8 Cu4 N28 O10 -","- C32 H48 Cl8 Cu4 N28 O10 -","1","0.5","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0708","0.0405","","","0.0861","0.0978","","","","","","1.004","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705604","17.0016","0.0014","17.0493","0.0014","16.9889","0.0014","90","","102.567","0.001","90","","4806.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H43 I2 N3 P2 Pd -","- C53 H43 I2 N3 P2 Pd -","- C212 H172 I8 N12 P8 Pd4 -","4","1","","Tyagi, Akshi; Reshi, Noor U Din; Daw, Prosenjit; Bera, Jitendra K.","Palladium complexes with an annellated mesoionic carbene (MIC) ligand: catalytic sequential Sonogashira coupling/cyclization reaction for one-pot synthesis of benzofuran, indole, isocoumarin and isoquinolone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15238","15248","10.1039/d0dt02918a","","","0.71073","MoKα","","0.1455","0.0625","","","0.1193","0.147","","","","","","1.017","","","","has coordinates","260741","2021-01-07","06:13:51",""
"7705605","13.1613","0.0012","14.5225","0.0012","31.355","0.003","90","","97.944","0.002","90","","5935.5","0.9","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49 Cl6 F12 N3 O P4 Pd -","- C55 H47 Cl4 F12 N3 P4 Pd -","- C220 H188 Cl16 F48 N12 P16 Pd4 -","4","1","","Tyagi, Akshi; Reshi, Noor U Din; Daw, Prosenjit; Bera, Jitendra K.","Palladium complexes with an annellated mesoionic carbene (MIC) ligand: catalytic sequential Sonogashira coupling/cyclization reaction for one-pot synthesis of benzofuran, indole, isocoumarin and isoquinolone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15238","15248","10.1039/d0dt02918a","","","0.71073","MoKα","","0.0831","0.0495","","","0.1","0.1111","","","","","","1.018","","","","has coordinates","260741","2021-01-07","06:14:00",""
"7705606","14.2828","0.0003","15.1493","0.0003","15.1514","0.0003","96.633","0.002","95.263","0.002","109.145","0.002","3046.84","0.12","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H62 B2 Ca F15 N2 P -","- C66 H62 B2 Ca F15 N2 P -","- C132 H124 B4 Ca2 F30 N4 P2 -","2","1","","Morris, Louis J.; Rajabi, Nasir A.; Hill, Michael S.; Manners, Ian; McMullin, Claire L.; Mahon, Mary F.","Phosphinoborane interception at magnesium by borane-assisted phosphine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14584","14591","10.1039/d0dt03415k","","x-ray","1.54184","CuKα","","0.0482","0.0371","","","0.0879","0.0928","","","","","","1.036","","","","has coordinates","258784","2020-11-06","11:56:21",""
"7705607","13.4493","0.0001","22.3275","0.0001","22.2182","0.0001","90","","95.912","0.001","90","","6636.4","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H66 B3 F15 Mg N2 P2 -","- C71 H66 B3 F15 Mg N2 P2 -","- C284 H264 B12 F60 Mg4 N8 P8 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Hill, Michael S.; Manners, Ian; McMullin, Claire L.; Mahon, Mary F.","Phosphinoborane interception at magnesium by borane-assisted phosphine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14584","14591","10.1039/d0dt03415k","","x-ray","1.54184","CuKα","","0.0423","0.0377","","","0.0972","0.1006","","","","","","1.029","","","","has coordinates","258784","2020-11-06","11:56:21",""
"7705608","30.306","0.002","26.652","0.002","32.356","0.003","90","","90","","90","","26134","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C92.5 H176.5 Cd Fe8 O44.5 -","- C92.5 H176.5 Cd0.9999 Fe8 O44.5 -","- C740 H1412 Cd7.9992 Fe64 O356 -","8","1","","Lutsenko, Irina A.; Kiskin, Mikhail A.; Lysenko, Konstantin A.; Zueva, Ekaterina M.; Efimov, Nikolay N.; Ugolkova, Elena A.; Maksimov, Yurii V.; Imshennik, Vladimir K.; Petrova, Maria M.; Sidorov, Aleksey A.; Eremenko, Igor L.","A new heterometallic pivalate {Fe<sub>8</sub>Cd} complex as an example of unusual ""ferric wheel"" molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15175","15179","10.1039/d0dt03142a","","","0.71073","MoKα","","0.1788","0.0815","","","0.1874","0.2316","","","","","","1.091","","","","has coordinates,has disorder","260737","2021-01-07","06:13:19",""
"7705609","13.9885","0.0006","16.7416","0.0007","20.1362","0.0007","90","","90","","90","","4715.7","0.3","93","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 Cl2 O2 P2 -","- C50 H64 Au2 Cl2 O2 P2 -","- C200 H256 Au8 Cl8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.034","0.0291","","","0.0602","0.0614","","","","","","1.043","","","","has coordinates","260743","2021-01-07","06:14:58",""
"7705610","14.0829","0.0007","16.7889","0.0007","20.2432","0.0008","90","","90","","90","","4786.2","0.4","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 Br2 O2 P2 -","- C50 H64 Au2 Br2 O2 P2 -","- C200 H256 Au8 Br8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0393","0.0311","","","0.059","0.0606","","","","","","1.042","","","","has coordinates","260743","2021-01-07","06:15:02",""
"7705611","29.5244","0.0005","28.5111","0.0005","11.30808","0.00018","90","","90","","90","","9518.8","0.3","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H60 Au2 I2 O2 P2 -","- C48 H60 Au2 I2 O2 P2 -","- C384 H480 Au16 I16 O16 P16 -","8","0.5","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0142","0.0134","","","0.0287","0.0288","","","","","","1.034","","","","has coordinates","260743","2021-01-07","06:15:13",""
"7705612","14.06858","0.00018","17.0216","0.0002","20.3878","0.0002","90","","90","","90","","4882.26","0.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 I2 O2 P2 -","- C50 H64 Au2 I2 O2 P2 -","- C200 H256 Au8 I8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0211","0.0179","","","0.0302","0.0306","","","","","","1.041","","","","has coordinates","260743","2021-01-07","06:15:22",""
"7705613","27.514","0.003","6.047","0.0006","26.88","0.004","90","","101.63","0.012","90","","4380.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H45 Fe3 N3 -","- C57 H45 Fe3 N3 -","- C228 H180 Fe12 N12 -","4","1","","Kasprzak, Artur; Guńka, Piotr A; Kowalczyk, Agata; Nowicka, Anna M.","Synthesis and structural, electrochemical and photophysical studies of triferrocenyl-substituted 1,3,5-triphenylbenzene: a cyan-light emitting molecule showing aggregation-induced enhanced emission.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14807","14814","10.1039/d0dt02948c","","x-ray","0.71073","MoKα","","0.1931","0.0949","","","0.1686","0.198","","","","","","0.933","","","","has coordinates","258812","2020-11-06","12:05:45",""
"7705614","16.927","0.003","20.121","0.004","55.331","0.011","90","","90","","90","","18845","6","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C128 H192 B8 F32 N16 Pd4 Si16 -","- C128 H192 B8 F32 N16 Pd4 Si16 -","- C512 H768 B32 F128 N64 Pd16 Si64 -","4","0.125","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.8","synchrotron","","0.1583","0.1026","","","0.255","0.2861","","","","","","1.157","","","","has coordinates,has disorder","258803","2020-11-06","12:02:02",""
"7705615","20.087","0.004","16.899","0.003","29.527","0.006","90","","109.4","0.03","90","","9454","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H100 N8 O13 Pd2 Re3 Si8 -","- C65 H100 N8 O13 Pd2 Re3 Si8 -","- C260 H400 N32 O52 Pd8 Re12 Si32 -","4","0.5","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.7","synchrotron","","0.1476","0.1213","","","0.3244","0.3429","","","","","","2.121","","","","has coordinates,has disorder","258803","2020-11-06","12:02:03",""
"7705616","16.586","0.003","19.95","0.004","57.908","0.012","90","","90","","90","","19161","7","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C64 H96 F24 N8 P4 Pd2 Si8 -","- C64 H96 F24 N8 P4 Pd2 Si8 -","- C512 H768 F192 N64 P32 Pd16 Si64 -","8","0.25","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.65","synchrotron","","0.0996","0.0949","","","0.2909","0.2974","","","","","","1.131","","","","has coordinates,has disorder","258803","2020-11-06","12:02:03",""
"7705617","17.554","0.003","17.554","0.003","18.597","0.004","90","","90","","90","","5730.5","1.9","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C80 H144 F12 N8 O8 Pd2 S8 Si10 -","- C80 H144 F12 N8 O8 Pd2 S8 Si10 -","- C160 H288 F24 N16 O16 Pd4 S16 Si20 -","2","0.25","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.71073","MoKα","","0.0821","0.0536","","","0.1341","0.1646","","","","","","1.076","","","","has coordinates","258803","2020-11-06","12:02:03",""
"7705618","16.8262","0.0016","20.1636","0.0016","55.633","0.006","90","","90","","90","","18875","3","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C64 H94 Cl4 N8 O16 Pd2 Si8 -","- C64 H94 Cl4 N8 O16 Pd2 Si8 -","- C512 H752 Cl32 N64 O128 Pd16 Si64 -","8","0.5","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.71073","MoKα","","0.0774","0.0602","","","0.178","0.1996","","","","","","1.037","","","","has coordinates,has disorder","258803","2020-11-06","12:02:03",""
"7705619","21.715","0.003","9.1945","0.0012","22.326","0.003","90","","101.356","0.004","90","","4370.3","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H4 N2 O17 Y2 -","- C16 H8 N2 O14 Y2 -","- C128 H64 N16 O112 Y16 -","8","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0947","0.0663","","","0.1833","0.1998","","","","","","1.13","","","","has coordinates","258816","2020-11-06","12:07:26",""
"7705620","18.3663","0.0007","6.8962","0.0003","18.4474","0.0007","90","","112.176","0.0014","90","","2163.67","0.15","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.79 N2 O18 Y1.21 -","- C16 H16 Eu0.7854 N2 O18 Y1.2146 -","- C64 H64 Eu3.1416 N8 O72 Y4.8584 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0164","0.0149","","","0.0326","0.033","","","","","","1.151","","","","has coordinates","258816","2020-11-06","12:07:31",""
"7705621","18.3118","0.0005","6.8759","0.0001","18.3669","0.0004","90","","112.222","0.0009","90","","2140.82","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.03 N2 O18 Y1.97 -","- C16 H16 Eu0.026 N2 O18 Y1.974 -","- C64 H64 Eu0.104 N8 O72 Y7.896 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.039","0.0284","","","0.0583","0.0613","","","","","","1.073","","","","has coordinates","258816","2020-11-06","12:07:43",""
"7705622","18.3456","0.0016","6.8867","0.0006","18.3909","0.0016","90","","112.165","0.003","90","","2151.8","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.39 N2 O18 Y1.61 -","- C16 H16 Eu0.39 N2 O18 Y1.61 -","- C64 H64 Eu1.56 N8 O72 Y6.44 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0297","0.0231","","","0.0494","0.051","","","","","","1.083","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705623","18.329","0.004","6.8971","0.0018","18.442","0.004","90","","112.2","0.009","90","","2158.6","0.9","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.57 N2 O18 Y1.43 -","- C16 H16 Eu0.567 N2 O18 Y1.433 -","- C64 H64 Eu2.268 N8 O72 Y5.732 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0294","0.023","","","0.0423","0.0439","","","","","","1.088","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705624","18.426","0.004","6.892","0.0016","18.538","0.004","90","","111.999","0.009","90","","2182.8","0.8","303","2","303","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu2 N2 O18 -","- C16 H16 Eu2 N2 O18 -","- C64 H64 Eu8 N8 O72 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.017","0.0159","","","0.037","0.0373","","","","","","1.161","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705625","18.3352","0.0009","6.8838","0.0004","18.3844","0.0009","90","","112.22","","90","","2148.09","0.19","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.18 N2 O18 Y1.82 -","- C16 H16 Eu0.1779 N2 O18 Y1.8221 -","- C64 H64 Eu0.7116 N8 O72 Y7.2884 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.024","0.0197","","","0.0433","0.0446","","","","","","1.074","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705626","18.3578","0.0007","6.9013","0.0003","18.4646","0.0008","90","","112.157","0.0011","90","","2166.58","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.98 N2 O18 Y1.02 -","- C16 H16 Eu0.98 N2 O18 Y1.02 -","- C64 H64 Eu3.92 N8 O72 Y4.08 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0246","0.0208","","","0.0431","0.0442","","","","","","1.047","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705627","18.356","0.003","6.8895","0.0013","18.502","0.003","90","","112.176","0.007","90","","2166.8","0.7","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.1 N2 O18 Y0.9 -","- C16 H16 Eu1.097 N2 O18 Y0.903 -","- C64 H64 Eu4.388 N8 O72 Y3.612 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0254","0.0216","","","0.041","0.0418","","","","","","1.13","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705628","18.3854","0.0004","6.907","0.0002","18.5103","0.0005","90","","112.091","0.0008","90","","2178.03","0.1","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.32 N2 O18 Y0.68 -","- C16 H16 Eu1.321 N2 O18 Y0.679 -","- C64 H64 Eu5.284 N8 O72 Y2.716 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0162","0.015","","","0.0316","0.0319","","","","","","1.158","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705629","18.3931","0.0012","6.9087","0.0005","18.5133","0.0012","90","","112.056","0.002","90","","2180.4","0.3","306","2","306","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.49 N2 O18 Y0.51 -","- C16 H16 Eu1.49 N2 O18 Y0.51 -","- C64 H64 Eu5.96 N8 O72 Y2.04 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0189","0.016","","","0.0361","0.0369","","","","","","1.104","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705630","18.3079","0.0004","6.8784","0.0002","18.3684","0.0004","90","","112.196","0.0008","90","","2141.7","0.09","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.12 N2 O18 Y1.88 -","- C16 H16 Eu0.12 N2 O18 Y1.88 -","- C64 H64 Eu0.48 N8 O72 Y7.52 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0358","0.0251","","","0.0561","0.0598","","","","","","1.066","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705631","18.4125","0.001","6.908","0.0003","18.5353","0.001","90","","112.039","0.0018","90","","2185.31","0.19","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.64 N2 O18 Y0.36 -","- C16 H16 Eu1.641 N2 O18 Y0.359 -","- C64 H64 Eu6.564 N8 O72 Y1.436 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0168","0.0157","","","0.0336","0.0339","","","","","","1.178","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705632","10.568","0.005","11.825","0.005","21.385","0.005","81.66","0.005","85.142","0.005","67.475","0.005","2441.2","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 N2 O2 Ru S2 -","- C54 H62 N2 O2 Ru S2 -","- C108 H124 N4 O4 Ru2 S4 -","2","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","","0.71073","MoKα","","0.1289","0.0731","","","0.1579","0.1825","","","","","","1.026","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705633","15.4686","0.0003","21.8136","0.0003","17.1423","0.0003","90","","109.838","0.002","90","","5440.99","0.17","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 Cl2 F6 N2 O3 P Ru S2 -","- C55 H63 Cl2 F6 N2 O3 P Ru S2 -","- C220 H252 Cl8 F24 N8 O12 P4 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.0686","0.0658","","","0.189","0.1934","","","","","","1.047","","","","has coordinates,has disorder","260736","2021-01-07","06:12:55",""
"7705634","15.1356","0.0003","21.871","0.0003","16.8585","0.0003","90","","109.946","0.002","90","","5245.92","0.17","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 B2 F8 N2 O3.7 Ru S2 -","- C54 H62 B2 F8 N2 O3.7 Ru S2 -","- C216 H248 B8 F32 N8 O14.8 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.0865","0.0835","","","0.2288","0.2324","","","","","","1.032","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705635","15.3134","0.0005","22.0442","0.0006","17.069","0.0005","90","","110.04","0.003","90","","5413.1","0.3","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 B2 F8 N2 O3 Ru S2 -","- C54 H62 B2 F8 N2 O3 Ru S2 -","- C216 H248 B8 F32 N8 O12 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.077","0.0732","","","0.2107","0.216","","","","","","1.05","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705636","15.6743","0.0002","21.9974","0.0002","17.5755","0.0002","90","","110.007","0.002","90","","5694.21","0.13","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H66 Cl2 F5.99 N2 O3 P Ru S2 -","- C55 H62 Cl2 F6.049 N2 O3 P Ru S2 -","- C220 H248 Cl8 F24.196 N8 O12 P4 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.0672","0.0632","","","0.1976","0.2036","","","","","","1.018","","","","has coordinates,has disorder","260736","2021-01-07","06:12:55",""
"7705637","10.489","0.002","11.622","0.002","21.239","0.004","82.011","0.003","84.971","0.004","67.666","0.004","2369.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 N2 O2 Ru S2 -","- C54 H62 N2 O2 Ru S2 -","- C108 H124 N4 O4 Ru2 S4 -","2","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","","0.71073","MoKα","","0.0789","0.0567","","","0.1276","0.1448","","","","","","1.027","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705638","19.8684","0.0008","9.9816","0.0004","17.736","0.0007","90","","113.184","0.0015","90","","3233.3","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl4 N2 O P Pt S2 -","- C30 H27 Cl4 N2 O P Pt S2 -","- C120 H108 Cl16 N8 O4 P4 Pt4 S8 -","4","1","","Imran, Muhammad; Rehman, Zia Ur; Hogarth, Graeme; Tocher, Derek A.; Chaudhry, Gul-E-Saba; Butler, Ian S.; Bélanger-Gariepy, Francine; Kondratyuk, Tamara","Two new monofunctional platinum(II) dithiocarbamate complexes: <i>phenanthriplatin</i>-type axial protection, equatorial-axial conformational isomerism, and anticancer and DNA binding studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15385","15396","10.1039/d0dt03018j","","x-ray","1.34139","GaKα","","0.0344","0.0321","","","0.0842","0.0861","","","","","","1.098","","","","has coordinates","260740","2021-01-07","06:13:42",""
"7705639","11.74447","0.00017","18.5199","0.0002","14.4446","0.0002","90","","109.796","0.0016","90","","2956.13","0.07","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl4 N4 P Pt S2 -","- C27 H23 Cl4 N4 P Pt S2 -","- C108 H92 Cl16 N16 P4 Pt4 S8 -","4","1","","Imran, Muhammad; Rehman, Zia Ur; Hogarth, Graeme; Tocher, Derek A.; Chaudhry, Gul-E-Saba; Butler, Ian S.; Bélanger-Gariepy, Francine; Kondratyuk, Tamara","Two new monofunctional platinum(II) dithiocarbamate complexes: <i>phenanthriplatin</i>-type axial protection, equatorial-axial conformational isomerism, and anticancer and DNA binding studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15385","15396","10.1039/d0dt03018j","","x-ray","0.71073","MoKα","","0.0198","0.0178","","","0.0401","0.041","","","","","","1.09","","","","has coordinates","260740","2021-01-07","06:13:43",""
"7705640","12.2208","0.0004","13.7998","0.0004","19.7289","0.0007","94.577","0.002","99.474","0.002","105.841","0.002","3129.76","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 Dy N O7 -","- C66 H76 Dy N O7 -","- C132 H152 Dy2 N2 O14 -","2","1","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.0543","0.0365","","","0.0789","0.0866","","","","","","1.013","","","","has coordinates","260746","2021-01-07","06:16:08",""
"7705641","12.5954","0.0004","23.3723","0.0007","20.4784","0.0006","90","","99.867","0.003","90","","5939.3","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Dy0.09 N O7 Y0.91 -","- C66 H76 Dy0.091 N O7 Y0.909 -","- C264 H304 Dy0.364 N4 O28 Y3.636 -","4","1","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.1049","0.0624","","","0.1112","0.1178","","","","","","1.072","","","","has coordinates","260746","2021-01-07","06:16:08",""
"7705642","12.5323","0.0002","19.8358","0.0003","25.8063","0.0004","106.578","0.001","94.751","0.001","91.386","0.001","6119.67","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 Er N O7 -","- C66 H76 Er N O7 -","- C264 H304 Er4 N4 O28 -","4","2","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.0611","0.036","","","0.075","0.0845","","","","","","1.009","","","","has coordinates,has disorder","260746","2021-01-07","06:16:08",""
"7705643","12.2338","0.0003","13.8401","0.0003","19.6751","0.0005","94.666","0.001","99.17","0.001","106","0.001","3133.69","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 N O7 Tb -","- C66 H76 N O7 Tb -","- C132 H152 N2 O14 Tb2 -","2","1","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.0418","0.0306","","","0.0704","0.0757","","","","","","1.029","","","","has coordinates","260746","2021-01-07","06:16:08",""
"7705644","14.2627","0.0005","21.6172","0.0008","14.4837","0.0005","90","","116.711","0.002","90","","3989.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl2 Mn N4 O2 -","- C46 H46 B Cl2 Mn N4 O2 -","- C184 H184 B4 Cl8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Das, Mayurika; Kamilya, Sujit; Mondal, Abhishake","Stepwise spin-state switching in a manganese(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14776","14780","10.1039/d0dt02746d","","","0.71073","MoKα","","0.0505","0.0438","","","0.0937","0.0976","","","","","","1.0535","","","","has coordinates,has disorder","258810","2020-11-06","12:04:49",""
"7705645","14.2615","0.001","21.635","0.0014","14.4098","0.001","90","","116.523","0.002","90","","3978.2","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl2 Mn N4 O2 -","- C46 H46 B Cl2 Mn N4 O2 -","- C184 H184 B4 Cl8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Das, Mayurika; Kamilya, Sujit; Mondal, Abhishake","Stepwise spin-state switching in a manganese(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14776","14780","10.1039/d0dt02746d","","","0.71073","MoKα","","0.1117","0.0768","","","0.156","0.1648","","","","","","1.128","","","","has coordinates,has disorder","258810","2020-11-06","12:04:50",""
"7705646","14.3566","0.001","21.8039","0.0015","14.4656","0.0011","90","","116.203","0.003","90","","4062.8","0.5","240","2","240","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl2 Mn N4 O2 -","- C46 H46 B Cl2 Mn N4 O2 -","- C184 H184 B4 Cl8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Das, Mayurika; Kamilya, Sujit; Mondal, Abhishake","Stepwise spin-state switching in a manganese(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14776","14780","10.1039/d0dt02746d","","","0.71073","MoKα","","0.084","0.0456","","","0.094","0.1148","","","","","","1.014","","","","has coordinates,has disorder","258810","2020-11-06","12:04:50",""
"7705647","8.4757","0.0002","15.2789","0.0003","15.8657","0.0003","116.813","0.001","105.461","0.001","91.097","0.001","1743.98","0.07","100","","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 I2 Ir N8 O2 -","- C33 H39 I2 Ir N8 O2 -","- C66 H78 I4 Ir2 N16 O4 -","2","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0265","0.0231","","","0.0513","0.0525","","","","","","1.027","","","","has coordinates","258794","2020-11-06","11:59:02",""
"7705648","11.3321","0.0003","25.8698","0.0006","16.9685","0.0004","90","","99.176","0.001","90","","4910.8","0.2","99.91","","99.91","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Cl3 F6 N4 P2 Pt -","- C46 H41 Cl3 F6 N4 P2 Pt -","- C184 H164 Cl12 F24 N16 P8 Pt4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0546","0.043","","","0.0908","0.0953","","","","","","1.08","","","","has coordinates,has disorder","258794","2020-11-06","11:59:03",""
"7705649","9.8319","0.0003","12.6068","0.0003","25.4524","0.0007","90","","97.735","0.002","90","","3126.09","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br Cl0 I N7 O3 Pd -","- C27 H29 Br I N7 O3 Pd -","- C108 H116 Br4 I4 N28 O12 Pd4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0685","0.0606","","","0.158","0.1642","","","","","","1.093","","","","has coordinates","258794","2020-11-06","11:59:03",""
"7705650","14.3613","0.0008","20.3225","0.0008","18.2235","0.0008","90","","101.367","0.005","90","","5214.3","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 Cl2 F6 I N6 O2 P3 Pd -","- C51 H50 Cl2 F6 I N6 O2 P3 Pd -","- C204 H200 Cl8 F24 I4 N24 O8 P12 Pd4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0416","0.0317","","","0.0746","0.0797","","","","","","1.034","","","","has coordinates","258794","2020-11-06","11:59:03",""
"7705651","24.6695","0.0006","13.7796","0.0003","24.9858","0.0006","90","","110.622","0.001","90","","7949.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H63 I2 Ir N6 O2 P2 Pd -","- C65 H63 I2 Ir N6 O2 P2 Pd -","- C260 H252 I8 Ir4 N24 O8 P8 Pd4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","1.54178","CuKα","","0.0828","0.0514","","","0.1184","0.1334","","","","","","0.979","","","","has coordinates","258794","2020-11-06","11:59:03",""
"7705652","22.969","0.003","14.6534","0.0017","16.1143","0.0019","90","","91.558","0.002","90","","5421.6","1.1","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Mn2 N4 O2 -","- C58 H84 Mn2 N4 O2 -","- C232 H336 Mn8 N16 O8 -","4","0.5","","Oh, Changjin; Siewe, Joëlle; Nguyen, Thao T.; Kawamura, Airi; Flores, Marco; Groy, Thomas L.; Anderson, John S.; Trovitch, Ryan J.; Baik, Mu-Hyun","The electronic structure of a β-diketiminate manganese hydride dimer.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14463","14474","10.1039/d0dt02842h","","","0.71073","MoKα","","0.076","0.056","","","0.1343","0.1464","","","","","","1.028","","","","has coordinates","258788","2020-11-06","11:57:23",""
"7705653","17.9235","0.0002","30.6798","0.0004","16.1692","0.0002","90","","90.326","0.001","90","","8891.13","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","BM15-3","","- C29 H44 Cl2 N2 Pt S -","- C29 H44 Cl2 N2 Pt S -","- C348 H528 Cl24 N24 Pt12 S12 -","12","3","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0833","0.0687","","","0.1544","0.1629","","","","","","1.096","","","","has coordinates","258787","2020-11-06","11:57:13",""
"7705654","9.0077","0.0004","12.2861","0.0005","14.3802","0.0005","79.673","0.003","89.901","0.003","81.924","0.004","1549.69","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","BM49","","- C29 H43 Cl3 N2 Pt S -","- C29 H43 Cl3 N2 Pt S -","- C58 H86 Cl6 N4 Pt2 S2 -","2","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0684","0.0461","","","0.0796","0.0912","","","","","","1.027","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705655","12.7694","0.0001","19.3085","0.0002","20.1949","0.0002","90","","90","","90","","4979.21","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl5 N2 Pt S -","- C18 H31 Cl5 N2 Pt S -","- C144 H248 Cl40 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0302","0.0241","","","0.0551","0.0575","","","","","","1.052","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705656","10.0629","0.0002","15.8461","0.0002","17.489","0.0002","90","","90","","90","","2788.76","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","BM18","","- C24 H31 Cl5 N2 Pt S -","- C24 H31 Cl5 N2 Pt S -","- C96 H124 Cl20 N8 Pt4 S4 -","4","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0342","0.0296","","","0.0604","0.0627","","","","","","1.03","","","","has coordinates,has disorder","258787","2020-11-06","11:57:14",""
"7705657","18.2534","0.0002","19.4975","0.0002","37.0427","0.0003","90","","90","","90","","13183.3","0.2","100.8","0.1","100.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H64 Cl8 N2 Pt S -","- C73 H64 Cl8 N2 Pt S -","- C584 H512 Cl64 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0535","0.041","","","0.0968","0.1043","","","","","","1.039","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705658","16.2539","0.0001","17.7182","0.0002","10.1694","0.0001","90","","90","","90","","2928.68","0.05","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Cl2 N2 Pt S -","- C29 H42 Cl2 N2 Pt S -","- C116 H168 Cl8 N8 Pt4 S4 -","4","0.5","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0602","0.0495","","","0.0981","0.1043","","","","","","1.034","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705659","8.8511","0.0003","11.8616","0.0004","14.2639","0.0004","97.805","0.003","104.276","0.003","107.123","0.003","1351.4","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H48 Bi2 N12 -","- C63 H48 Bi2 N12 -","- C63 H48 Bi2 N12 -","1","0.5","","Zhao, Ming-Gang; Li, Li; He, Ru-Ru; Zhang, Xiang; Ma, Jian-Ping; Su, Ji-Hu; Zheng, Wenjun","1,2,4-Triazolato paddlewheel dibismuth complexes with very short Bi(II)-Bi(II) bonds: bismuth(III) oxidation of 1,2,4-triazolato anions into neutral <i>N</i>-1,2,4-triazolyl radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15190","15194","10.1039/d0dt03225e","","x-ray","0.71073","MoKα","","0.035","0.0262","","","0.0491","0.051","","","","","","1.023","","","","has coordinates","260739","2021-01-07","06:13:33",""
"7705660","10.1097","0.0003","10.1538","0.0003","10.1748","0.0004","97.933","0.003","99.017","0.003","96.358","0.003","1012.28","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 Bi2 N12 -","- C32 H56 Bi2 N12 -","- C32 H56 Bi2 N12 -","1","0.5","","Zhao, Ming-Gang; Li, Li; He, Ru-Ru; Zhang, Xiang; Ma, Jian-Ping; Su, Ji-Hu; Zheng, Wenjun","1,2,4-Triazolato paddlewheel dibismuth complexes with very short Bi(II)-Bi(II) bonds: bismuth(III) oxidation of 1,2,4-triazolato anions into neutral <i>N</i>-1,2,4-triazolyl radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15190","15194","10.1039/d0dt03225e","","x-ray","0.71073","MoKα","","0.0452","0.0334","","","0.0697","0.0772","","","","","","1.067","","","","has coordinates,has disorder","260739","2021-01-07","06:13:33",""
"7705661","30.197","0.01","30.197","0.01","30.197","0.01","90","","90","","90","","27535","16","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H84 N12 O52 Zn16 -","- C108 O52 Zn16 -","- C216 O104 Zn32 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.7","synchrotron","","0.1065","0.0988","","","0.3146","0.3318","","","","","","1.344","","","","has coordinates","258811","2020-11-06","12:05:35",""
"7705662","29.97","0.01","29.97","0.01","29.97","0.01","90","","90","","90","","26919","16","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C264 H192 O104 S24 Zn32 -","- C168 O104 Zn32 -","- C336 O208 Zn64 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.69998","synchrotron","","0.1529","0.1334","","","0.3691","0.401","","","","","","1.429","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705663","30.206","0.01","30.206","0.01","30.206","0.01","90","","90","","90","","27560","16","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C156 H144 O64 Zn16 -","- C132 O52 Zn16 -","- C264 O104 Zn32 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.7","synchrotron","","0.1011","0.0927","","","0.2909","0.3096","","","","","","1.229","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705664","30.089","0.003","30.089","0.003","30.089","0.003","90","","90","","90","","27241","5","293","2","293","2","","","","","","","Solvothermal synthesis","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C264 H192 O104 Zn32 -","- C264 O104 Zn32 -","- C528 O208 Zn64 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.69999","synchrotron","","0.1663","0.1156","","","0.3886","0.4267","","","","","","1.174","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705665","30.222","0.01","30.222","0.01","30.222","0.01","90","","90","","90","","27604","16","293","2","293","2","","","","","","","Solvothermal synthesis","4","F d -3 :2","-F 2uv 2vw 3","203","","","","- C288 H240 O104 Zn32 -","- C252 O104 Zn32 -","- C504 O208 Zn64 -","2","0.0208333","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.7","synchrotron","","0.1224","0.1054","","","0.3617","0.3864","","","","","","1.435","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705666","20.999","0.004","10.347","0.002","30.92","0.006","90","","92.724","0.003","90","","6711","2","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B Cl Co N4 -","- C36 H48 B Cl Co N4 -","- C288 H384 B8 Cl8 Co8 N32 -","8","2","","Cui, Hui-Hui; Ding, Man-Man; Zhang, Xiu-Du; Lv, Wei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Xue, Zi-Ling","Magnetic anisotropy in square pyramidal cobalt(II) complexes supported by a tetraazo macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14837","14846","10.1039/d0dt01954b","","","0.71073","MoKα","","0.0732","0.0475","","","0.1072","0.1186","","","","","","1.05","","","","has coordinates","258801","2020-11-06","12:01:08",""
"7705667","20.9569","0.0016","10.4803","0.0008","31.079","0.002","90","","92.093","0.002","90","","6821.5","0.9","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B Br Co N4 -","- C36 H48 B Br Co N4 -","- C288 H384 B8 Br8 Co8 N32 -","8","2","","Cui, Hui-Hui; Ding, Man-Man; Zhang, Xiu-Du; Lv, Wei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Xue, Zi-Ling","Magnetic anisotropy in square pyramidal cobalt(II) complexes supported by a tetraazo macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14837","14846","10.1039/d0dt01954b","","","0.71073","MoKα","","0.098","0.066","","","0.1617","0.1759","","","","","","1.047","","","","has coordinates","258801","2020-11-06","12:01:09",""
"7705668","12.3275","0.0002","18.5853","0.0003","22.9955","0.0004","67.207","0.001","81.046","0.001","79.961","0.001","4760.14","0.14","150","2","150.01","","","","","","","","","8","P -1","-P 1","2","","","","- C2 H121 As4 K17 Na2 O200 Pr2 W38 -","- C2 As4 K17 Na2 O200 Pr2 W38 -","- C2 As4 K17 Na2 O200 Pr2 W38 -","1","0.5","","Chen, Hanhan; Xiao, Zikang; Yan, Bing; Wu, Hechen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","H-shaped oxalate-bridging lanthanoid-incorporated arsenotungstates.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15731","15738","10.1039/d0dt02792h","","","0.71073","MoKα","","0.0434","0.0345","","","0.078","0.0827","","","","","","1.041","","","","has coordinates,has disorder","260734","2021-01-07","06:11:49",""
"7705669","12.2892","0.0005","18.5454","0.0009","22.9794","0.0011","67.218","0.002","81.116","0.002","79.915","0.002","4732.3","0.4","150","2","149.98","","","","","","","","","8","P -1","-P 1","2","","","","- C2 H129 As4 K17 Na2 O204 Sm2 W38 -","- C2 As4 K17 Na2 O204 Sm2 W38 -","- C2 As4 K17 Na2 O204 Sm2 W38 -","1","0.5","","Chen, Hanhan; Xiao, Zikang; Yan, Bing; Wu, Hechen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","H-shaped oxalate-bridging lanthanoid-incorporated arsenotungstates.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15731","15738","10.1039/d0dt02792h","","","0.71073","MoKα","","0.0645","0.0533","","","0.1247","0.131","","","","","","1.049","","","","has coordinates,has disorder","260734","2021-01-07","06:11:50",""
"7705670","12.3104","0.0003","18.5826","0.0004","22.8935","0.0004","67.143","0.001","81.201","0.001","79.84","0.001","4729.56","0.18","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C2 H107 As4 Ce2 K17 Na2 O193 W38 -","- C2 As4 Ce2 K17 Na2 O193 W38 -","- C2 As4 Ce2 K17 Na2 O193 W38 -","1","0.5","","Chen, Hanhan; Xiao, Zikang; Yan, Bing; Wu, Hechen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","H-shaped oxalate-bridging lanthanoid-incorporated arsenotungstates.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15731","15738","10.1039/d0dt02792h","","","0.71073","MoKα","","0.0399","0.0332","","","0.0807","0.0848","","","","","","1.017","","","","has coordinates,has disorder","260734","2021-01-07","06:11:50",""
"7705671","6.159","0.0012","11.379","0.002","14.193","0.003","90","","99.69","0.03","90","","980.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl Cu N2 O -","- C9 H11 Cl Cu N2 O -","- C36 H44 Cl4 Cu4 N8 O4 -","4","1","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.018","0.0179","","","0.05","0.0501","","","","","","1.097","","","","has coordinates","258782","2020-11-06","11:55:46",""
"7705672","21.258","0.004","8.189","0.0016","21.253","0.004","90","","111.37","0.03","90","","3445.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Cu N2 O5.5 -","- C18 H21 Cu N2 O5.5 -","- C144 H168 Cu8 N16 O44 -","8","1","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.0296","0.027","","","0.0761","0.0779","","","","","","1.047","","","","has coordinates","258782","2020-11-06","11:55:47",""
"7705673","14.252","0.003","7.973","0.0016","10.332","0.002","90","","107.38","0.03","90","","1120.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl Cu N2 O2 -","- C10 H13 Cl Cu N2 O2 -","- C40 H52 Cl4 Cu4 N8 O8 -","4","1","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.0405","0.0389","","","0.1135","0.1152","","","","","","1.053","","","","has coordinates","258782","2020-11-06","11:55:47",""
"7705674","27.861","0.005","30.137","0.006","10.465","0.001","90","","90","","90","","8787","3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl Cu N3 O3 -","- C9 H10 Cl Cu N3 O3 -","- C288 H320 Cl32 Cu32 N96 O96 -","32","8","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.1083","0.0689","","","0.169","0.1922","","","","","","1.006","","","","has coordinates","258782","2020-11-06","11:55:47",""
"7705675","30.5012","0.0005","30.5012","0.0005","25.1712","0.0007","90","","90","","120","","20280","0.7","398","2","398","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","GaI(Me2IPr)[(NDipp)2C12H5]*0.5tol","","- C49.33 H59.67 Ga I N4 -","- C49.3331 H59.6664 Ga I N4 -","- C887.996 H1074 Ga18 I18 N72 -","18","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0397","0.0328","","","0.0752","0.0816","","","","","","1.035","","","","has coordinates,has disorder","260742","2021-01-07","06:14:42",""
"7705676","12.4092","0.0002","19.3221","0.0003","17.8085","0.0003","90","","90.204","0.002","90","","4269.95","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ga(PCO)[(NDipp)2C12H5]*tol","","- C49 H53 Ga N3 O P -","- C49 H53 Ga N3 O P -","- C196 H212 Ga4 N12 O4 P4 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0362","0.0332","","","0.0926","0.0952","","","","","","1.234","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705677","13.6214","0.001","18.3845","0.0012","24.7906","0.0011","90","","90","","90","","6208.1","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ga(PCO)(IMes)[(NDipp)2C12H5]*2tol","","- C72 H80 Ga N4 O P -","- C72 H80 Ga N4 O P -","- C288 H320 Ga4 N16 O4 P4 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","0.71073","MoKα","","0.1113","0.0651","","","0.1117","0.1279","","","","","","1.009","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705678","39.4865","0.0013","36.1344","0.0015","12.8743","0.0006","90","","90","","90","","18369.3","1.3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Ga(PCO)(Me2IPr)[(NDipp)2C12H5]*0.5tol","","- C51.5 H64 Ga N4 O P -","- C51.5 H64 Ga N4 O P -","- C824 H1024 Ga16 N64 O16 P16 -","16","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0671","0.0491","","","0.1208","0.1394","","","","","","1.013","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705679","9.3557","0.0001","19.1486","0.0002","22.4817","0.0002","90","","96.966","0.001","90","","3997.83","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","GaP(PMe3)(py)[(NDipp)2C12H5]","","- C44 H54 Ga N3 P2 -","- C44 H54 Ga N3 P2 -","- C176 H216 Ga4 N12 P8 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.043","0.0326","","","0.0792","0.0828","","","","","","1.081","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705680","13.654","0.0001","18.2902","0.0001","24.7157","0.0001","90","","90","","90","","6172.36","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","GaI(IMes)[(NDipp)2C12H5]*2tol","","- C71 H80 Ga I N4 -","- C71 H80 Ga I N4 -","- C284 H320 Ga4 I4 N16 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0279","0.0259","","","0.0662","0.0683","","","","","","1.082","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705681","12.23","0.0003","22.2691","0.0004","15.9009","0.0004","90","","111.732","0.003","90","","4022.83","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[GaP(py){(NDipp)2C12H5}]2*2OEt2","","- C90 H110 Ga2 N6 O2 P2 -","- C90 H110 Ga2 N6 O2 P2 -","- C180 H220 Ga4 N12 O4 P4 -","2","0.5","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","0.71073","MoKα","","0.0676","0.0413","","","0.0873","0.099","","","","","","1.026","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705682","27.3275","0.0002","17.6404","0.0002","31.0011","0.0003","90","","90","","90","","14944.6","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{[(NDipp)C(CH3)]2CH}GaPGa[(NDipp)2C12H5]*2tol","","- C84 H102 Ga2 N5 P -","- C84 H102 Ga2 N5 P -","- C672 H816 Ga16 N40 P8 -","8","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0613","0.0412","","","0.1001","0.1108","","","","","","1.036","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705683","46.3247","0.0005","46.3247","0.0005","12.9618","0.0002","90","","90","","120","","24089.1","0.5","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","Ga(PPMe3)(Me2IPr)[(NDipp)2C12H5]*0.66OEt2","","- C52.67 H75.67 Ga N4 O0.67 P2 -","- C52.6667 H75.6667 Ga N4 O0.666667 P2 -","- C948 H1362 Ga18 N72 O12 P36 -","18","3","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0833","0.0754","","","0.1845","0.1891","","","","","","1.175","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705684","13.0258","0.0007","18.9888","0.0011","13.8042","0.0008","90","","113.24","0.0017","90","","3137.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C85 H68 N2 Sm -","- C85 H68 N2 Sm -","- C170 H136 N4 Sm2 -","2","1","","Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.","Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (Ar<sup>BIG</sup>-bian).","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14445","14451","10.1039/d0dt02963g","","","0.71073","MoKα","","0.0752","0.0527","","","0.0885","0.0984","","","","","","1.022","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7705685","12.9233","0.0004","14.4027","0.0005","22.7605","0.0007","87.887","0.001","74.114","0.001","67.067","0.001","3740.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.5 H90 N2 O2 Yb -","- C99.5 H90 N2 O2 Yb -","- C199 H180 N4 O4 Yb2 -","2","1","","Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.","Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (Ar<sup>BIG</sup>-bian).","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14445","14451","10.1039/d0dt02963g","","","0.71073","MoKα","","0.0301","0.0255","","","0.0595","0.0608","","","","","","1.047","","","","has coordinates,has disorder","258798","2020-11-06","11:59:51",""
"7705686","13.7407","0.0011","18.7955","0.0017","24.607","0.002","90","","104.497","0.003","90","","6152.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H70 N2 O2 Sm -","- C82 H70 N2 O2 Sm -","- C328 H280 N8 O8 Sm4 -","4","1","","Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.","Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (Ar<sup>BIG</sup>-bian).","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14445","14451","10.1039/d0dt02963g","","","0.71073","MoKα","","0.0938","0.0544","","","0.0858","0.0952","","","","","","1.03","","","","has coordinates","287906","2023-11-30","18:39:50",""
"7705687","23.2275","0.0008","23.2275","0.0008","44.2459","0.0018","90","","90","","90","","23871.4","1.5","100","2","100.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C116 H151 Gd Mn2 N7 O16 -","- C116 H149 Gd Mn2 N7 O16 -","- C928 H1192 Gd8 Mn16 N56 O128 -","8","1","","Coletta, Marco; Sanz, Sergio; Cutler, Daniel J.; Teat, Simon J.; Gagnon, Kevin J.; Singh, Mukesh K.; Brechin, Euan K.; Dalgarno, Scott J.","Magneto-structural studies of an unusual [Mn<sup>III</sup>Mn<sup>II</sup>Gd<sup>III</sup>(OR)<sub>4</sub>]<sup>4-</sup> partial cubane from 2,2'-bis-<i>p</i>-<sup> <i>t</i> </sup>Bu-calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14790","14797","10.1039/d0dt02731f","","","0.7749","Synchrotron","","0.0844","0.0653","","","0.151","0.1718","","","","","","1.033","","","","has coordinates,has disorder","258814","2020-11-06","12:06:44",""
"7705688","16.8786","0.0016","20.72","0.002","22.088","0.002","90","","92.938","0.004","90","","7714.6","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H136 K2 N12 O4 P2 -","- C72 H136 K2 N12 O4 P2 -","- C288 H544 K8 N48 O16 P8 -","4","0.5","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Homoleptic cerium tris(dialkylamido)imidophosphorane guanidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14908","14913","10.1039/d0dt03472j","","","0.71073","MoKα","","0.1964","0.1627","","","0.4009","0.4197","","","","","","2.808","","","","has coordinates,has disorder","258807","2020-11-06","12:02:57",""
"7705689","13.438","0.002","19.34","0.003","22.773","0.004","95.893","0.007","99.06","0.007","91.156","0.007","5809.8","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H214 B Ce N18 P3 -","- C108 H178 B Ce N18 P3 -","- C216 H356 B2 Ce2 N36 P6 -","2","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Homoleptic cerium tris(dialkylamido)imidophosphorane guanidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14908","14913","10.1039/d0dt03472j","","","0.71073","MoKα","","0.0574","0.0437","","","0.1005","0.1066","","","","","","1.032","","","","has coordinates,has disorder","258807","2020-11-06","12:02:58",""
"7705690","16.104","0.002","16.452","0.002","20.98","0.003","81.638","0.005","88.524","0.006","61.054","0.004","4806","1.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C89 H168 Ce N18 P3 -","- C84 H155 Ce N18 P3 -","- C168 H310 Ce2 N36 P6 -","2","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Homoleptic cerium tris(dialkylamido)imidophosphorane guanidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14908","14913","10.1039/d0dt03472j","","","0.71073","MoKα","","0.0523","0.0409","","","0.0958","0.1015","","","","","","1.024","","","","has coordinates,has disorder","258807","2020-11-06","12:02:58",""
"7705691","10.0023","0.0003","14.5554","0.0005","14.7865","0.0006","74.004","0.003","78.426","0.003","75.086","0.003","1980.08","0.13","95","0.1","95","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37.541 Co0.14 N6 Na0 Ni1.86 O17 -","- C38 H37.54 Co0.14 N6 Ni1.86 O17 -","- C76 H75.08 Co0.28 N12 Ni3.72 O34 -","2","1","","Saheli, Sania; Rezvani, Ali Reza; Yavari, Zahra; Dusek, Michal; Kucerakova, Monika","New Pd/Co-Ni electrocatalysts for formic acid electrooxidation and their fabrication from inorganic precursor [Co<sub>0.14</sub>Ni<sub>1.86</sub>(dipic)<sub>2</sub>(phen)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·4H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15864","15873","10.1039/d0dt03113e","","x-ray","1.54184","CuKα","","0.0467","0.0363","","","0.0448","0.0473","","","","1.51","1.51","1.42","","","","has coordinates","260731","2021-01-07","06:11:02",""
"7705692","17.7189","0.001","3.5053","0.0002","13.3457","0.0008","90","","100.282","0.002","90","","815.59","0.08","100","","99.97","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium nitrotetrazolate tetrahydrate","","- C H8 N5 Na O6 -","- C H8 N5 Na O6 -","- C4 H32 N20 Na4 O24 -","4","0.5","","Westwater, Bradley; Lloyd, Hayleigh J.; Vitorica-Yrezabal, Inigo J; Fong, Angela; McMaster, Patrick; Sloan, Martin; Coaker, Brian M.; Pulham, Colin R.; Portius, Peter","Synthesis and characterization of the mixed-ligand coordination polymer Cu<sub>3</sub>Cl(N<sub>4</sub>C-NO<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14975","14984","10.1039/d0dt03077e","","","1.54178","CuKα","","0.0408","0.039","","","0.0993","0.1004","","","","","","1.181","","","","has coordinates,has disorder","258805","2020-11-06","12:02:24",""
"7705693","10.898","0.001","9.2377","0.0009","10.368","0.001","90","","100.493","0.01","90","","1026.32","0.17","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 Cl Cu3 N10 O4 -","- C2 Cl Cu3 N10 O4 -","- C8 Cl4 Cu12 N40 O16 -","4","1","","Westwater, Bradley; Lloyd, Hayleigh J.; Vitorica-Yrezabal, Inigo J; Fong, Angela; McMaster, Patrick; Sloan, Martin; Coaker, Brian M.; Pulham, Colin R.; Portius, Peter","Synthesis and characterization of the mixed-ligand coordination polymer Cu<sub>3</sub>Cl(N<sub>4</sub>C-NO<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14975","14984","10.1039/d0dt03077e","","x-ray","1.54184","CuKα","","0.1046","0.0569","","","0.12","0.1429","","","","","","1.066","","","","has coordinates","258805","2020-11-06","12:02:24",""
"7705694","11.1922","0.0003","11.5319","0.0003","22.9826","0.0006","90","","90","","90","","2966.3","0.14","100","2","100.01","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H46 N2 O2 S4 Zn -","- C22 H46 N2 O2 S4 Zn -","- C88 H184 N8 O8 S16 Zn4 -","4","0.5","","Vakalopoulou, Efthymia; Buchmaier, Christine; Pein, Andreas; Saf, Robert; Fischer, Roland C.; Torvisco, Ana; Warchomicka, Fernando; Rath, Thomas; Trimmel, Gregor","Synthesis and characterization of zinc di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or tetramethylethylenediamine coligands and investigation of their thermal conversion mechanisms towards nanocrystalline zinc sulfide.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14564","14575","10.1039/d0dt03065a","","x-ray","0.71073","MoKα","","0.0367","0.0349","","","0.0728","0.0735","","","","","","1.27","","","","has coordinates,has disorder","258797","2020-11-06","11:59:35",""
"7705695","23.559","0.008","8.682","0.003","13.815","0.005","90","","101.55","0.02","90","","2768.5","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H35 N O2 S4 Zn -","- C21 H35 N O2 S4 Zn -","- C84 H140 N4 O8 S16 Zn4 -","4","0.5","","Vakalopoulou, Efthymia; Buchmaier, Christine; Pein, Andreas; Saf, Robert; Fischer, Roland C.; Torvisco, Ana; Warchomicka, Fernando; Rath, Thomas; Trimmel, Gregor","Synthesis and characterization of zinc di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or tetramethylethylenediamine coligands and investigation of their thermal conversion mechanisms towards nanocrystalline zinc sulfide.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14564","14575","10.1039/d0dt03065a","","x-ray","0.71073","MoKα","","0.0858","0.0544","","","0.1396","0.1571","","","","","","1.027","","","","has coordinates","258797","2020-11-06","11:59:38",""
"7705696","25.8018","0.001","10.0911","0.0003","20.3821","0.0007","90","","92.472","0.002","90","","5301.9","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H21 Cu N3 O6 -","- C30 H21 Cu N3 O6 -","- C240 H168 Cu8 N24 O48 -","8","2","","Islam, Sakhiul; Das, Pubali; Maiti, Saswati; Khan, Samim; Maity, Suvendu; Ghosh, Prasanta; Jana, Atish Dipankar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Electrically conductive Cu(II)-based 1D coordination polymer with theoretical insight.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15323","15331","10.1039/d0dt03098h","","","0.71073","MoKα","","0.0838","0.0467","","","0.0981","0.1133","","","","","","1.061","","","","has coordinates","260738","2021-01-07","06:13:27",""
"7705697","7.1575","0.0003","12.0799","0.0005","12.5607","0.0005","78.544","0.003","87.869","0.003","84.639","0.003","1059.54","0.08","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl8 N6 O4 Os2 -","- C39 H34 Cl8 N6 O4 Os2 -","- C39 H34 Cl8 N6 O4 Os2 -","1","0.5","","Huang, Wan-Qiong; Wang, Chuan-Xian; Liu, Tao; Li, Zi-Xin; Pan, Chen; Chen, Yun-Zhou; Lian, Xin; Man, Wai-Lun; Ni, Wen-Xiu","A cytotoxic nitrido-osmium(VI) complex induces caspase-mediated apoptosis in HepG2 cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17173","17182","10.1039/d0dt02715d","","","1.54178","CuKα","","0.0431","0.0427","","","0.1097","0.1103","","","","","","1.066","","","","has coordinates,has disorder","260751","2021-01-07","06:18:33",""
"7705698","15.5781","0.0003","9.86896","0.00016","57.967","0.003","90","","96.152","0.003","90","","8860.5","0.5","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Si11 -","- C24 H72 Si11 -","- C192 H576 Si88 -","8","1","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","1.54178","CuKα","","0.0841","0.0826","","","0.1957","0.1966","","","","","","1.174","","","","has coordinates","258802","2020-11-06","12:01:29",""
"7705699","10.1167","0.0003","12.429","0.0003","17.0543","0.0004","71.232","0.002","80.544","0.002","69.194","0.003","1894.96","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H60 Si10 -","- C20 H60 Si10 -","- C40 H120 Si20 -","2","1","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","0.71073","MoKα","","0.0382","0.0294","","","0.0721","0.0769","","","","","","1.055","","","","has coordinates","258802","2020-11-06","12:01:30",""
"7705700","13.3319","0.0003","21.5603","0.0005","23.7767","0.0006","90","","99.786","0.002","90","","6734.9","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H204 K4 O24 Si16 -","- C97 H204 K4 O24 Si16 -","- C194 H408 K8 O48 Si32 -","2","0.5","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","0.71073","MoKα","","0.0643","0.0502","","","0.1033","0.1101","","","","","","1.067","","","","has coordinates,has disorder","258802","2020-11-06","12:01:30",""
"7705701","12.2789","0.0003","16.4703","0.0003","19.5884","0.0004","74.5249","0.0019","73.536","0.002","87.0261","0.0018","3660.14","0.14","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H110 K2 O12 Si9 -","- C49 H110 K2 O12 Si9 -","- C98 H220 K4 O24 Si18 -","2","1","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","0.71073","MoKα","","0.0614","0.0464","","","0.1067","0.1149","","","","","","1.058","","","","has coordinates,has disorder","258802","2020-11-06","12:01:30",""
"7705702","22.0273","0.0005","11.7156","0.0002","30.592","0.0007","90","","108.615","0.002","90","","7481.7","0.3","117.6","0.9","118","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H72 Cu F16 N12 Na2 O12 -","- C68 H72 Cu F16 N12 Na2 O12 -","- C272 H288 Cu4 F64 N48 Na8 O48 -","4","0.5","","Konarev, Dmitri V.; Faraonov, Maxim A.; Batov, Mikhail S.; Andronov, Mikhail G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Effect of reduction on the molecular structure and optical and magnetic properties of fluorinated copper(II) phthalocyanines.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16821","16829","10.1039/d0dt02635b","","","0.71073","MoKα","","0.069","0.0435","","","0.0964","0.1065","","","","","","1.022","","","","has coordinates,has disorder","260748","2021-01-07","06:17:41",""
"7705703","8.5816","0.0002","18.3478","0.0005","19.5899","0.0005","117.093","0.003","91.791","0.002","103.115","0.002","2641.99","0.14","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cu F8 N10 Na O6 -","- C50 H44 Cu F8 N10 Na O6 -","- C100 H88 Cu2 F16 N20 Na2 O12 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Batov, Mikhail S.; Andronov, Mikhail G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Effect of reduction on the molecular structure and optical and magnetic properties of fluorinated copper(II) phthalocyanines.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16821","16829","10.1039/d0dt02635b","","x-ray","0.71073","MoKα","","0.0541","0.0436","","","0.105","0.1109","","","","","","1.02","","","","has coordinates,has disorder","260748","2021-01-07","06:17:42",""
"7705704","23.928","0.0012","14.4942","0.0005","26.2838","0.0015","90","","110.163","0.006","90","","8557","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C107 H105 Au2 N2 O2 -","- C107 H105 Au2 N2 O2 -","- C428 H420 Au8 N8 O8 -","4","1","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","0.71073","MoKα","","0.2625","0.0877","","","0.1453","0.2213","","","","","","1.025","","","","has coordinates,has disorder","260733","2021-01-07","06:11:31",""
"7705705","11.8776","0.0003","39.0337","0.0007","9.4164","0.0002","90","","103.027","0.002","90","","4253.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H42 Au Cl3 N O -","- C51 H42 Au Cl3 N O -","- C204 H168 Au4 Cl12 N4 O4 -","4","1","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","0.71073","MoKα","","0.0724","0.0525","","","0.1329","0.146","","","","","","1.08","","","","has coordinates,has disorder","260733","2021-01-07","06:11:35",""
"7705706","11.8805","0.0005","33.876","0.003","9.5447","0.0004","90","","105.559","0.005","90","","3700.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H84 Au2 N2 O2 -","- C98 H84 Au2 N2 O2 -","- C196 H168 Au4 N4 O4 -","2","0.5","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","1.54178","CuKα","","0.1789","0.1048","","","0.2536","0.2985","","","","","","1.178","","","","has coordinates","260733","2021-01-07","06:11:36",""
"7705707","15.3831","0.0004","23.2901","0.0004","24.8211","0.0005","90","","100.617","0.002","90","","8740.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H92 Au2 Cl8 N2 O2 -","- C102 H92 Au2 Cl8 N2 O2 -","- C408 H368 Au8 Cl32 N8 O8 -","4","1","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","0.71073","MoKα","","0.122","0.0877","","","0.2523","0.2672","","","","","","1.566","","","","has coordinates","260733","2021-01-07","06:11:36",""
"7705708","12.3927","0.0005","10.6107","0.0004","15.1024","0.0005","90","","101.267","0.003","90","","1947.62","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br O3 P -","- C21 H24 Br O3 P -","- C84 H96 Br4 O12 P4 -","4","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.039","0.0368","","","0.0812","0.0827","","","","","","1.072","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705709","7.6543","0.0006","11.3119","0.0008","11.4882","0.0009","115.082","0.006","97.147","0.006","106.395","0.006","829.47","0.13","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Br F4 O3 P -","- C13 H16 Br F4 O3 P -","- C26 H32 Br2 F8 O6 P2 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0406","0.0392","","","0.106","0.1087","","","","","","1.052","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705710","15.3724","0.0007","20.4341","0.0006","16.3173","0.0006","90","","97.312","0.003","90","","5083.9","0.3","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H63 N3 Nd O18 P3 -","- C39 H63 N3 Nd O18 P3 -","- C156 H252 N12 Nd4 O72 P12 -","4","2","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0572","0.0432","","","0.1052","0.1162","","","","","","1.035","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705711","14.0648","0.0005","29.1214","0.0012","14.285","0.0005","90","","116.184","0.002","90","","5250.5","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H120 Br6 Cl6 Nd2 O18 P6 -","- C78 H120 Br6 Cl6 Nd2 O18 P6 -","- C156 H240 Br12 Cl12 Nd4 O36 P12 -","2","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.1151","0.0965","","","0.2608","0.2872","","","","","","1.053","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705712","15.047","0.0005","21.2523","0.0007","16.365","0.0006","90","","97.899","0.003","90","","5183.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Dy N3 O18 P3 -","- C39 H63 Dy N3 O18 P3 -","- C156 H252 Dy4 N12 O72 P12 -","4","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","x-ray","0.71073","MoKα","","0.0358","0.0286","","","0.0705","0.0751","","","","","","1.037","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705713","13.3443","0.0019","14.464","0.002","16.184","0.002","111.069","0.01","110.094","0.011","91.11","0.012","2700.8","0.7","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H50 Br3 Cl3 Er F12 O10 P3 -","- C39 H50 Br3 Cl3 Er F12 O10 P3 -","- C78 H100 Br6 Cl6 Er2 F24 O20 P6 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","x-ray","0.71073","MoKα","","0.0985","0.0594","","","0.1408","0.1681","","","","","","1.121","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705714","16.438","0.0003","20.2226","0.0003","20.3926","0.0003","61.933","0.001","70.494","0.001","67.9","0.001","5439.19","0.16","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H60 Br3 N3 Nd O18 P3 -","- C39 H60 Br3 N3 Nd O18 P3 -","- C156 H240 Br12 N12 Nd4 O72 P12 -","4","2","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0355","0.0341","","","0.0892","0.0902","","","","","","1.039","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705715","13.4866","0.0011","14.6216","0.0017","16.3342","0.0012","110.663","0.007","110.117","0.006","91.21","0.008","2792.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H50 Br3 Cl3 Dy F12 O10 P3 -","- C39 H50 Br3 Cl3 Dy F12 O10 P3 -","- C78 H100 Br6 Cl6 Dy2 F24 O20 P6 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.1052","0.0597","","","0.1162","0.1435","","","","","","1.097","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705716","11.2192","0.0004","13.3757","0.0004","20.6992","0.0007","101.357","0.003","98.671","0.003","111.903","0.002","2738.39","0.18","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H66 Br2 Cl3 Dy O9 P2 -","- C48 H66 Br2 Cl3 Dy O9 P2 -","- C96 H132 Br4 Cl6 Dy2 O18 P4 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0475","0.047","","","0.1309","0.1317","","","","","","1.038","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705717","14.0316","0.0006","28.3123","0.0014","14.2123","0.0006","90","","116.555","0.003","90","","5050.4","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H120 Br6 Cl6 La2 O18 P6 -","- C78 H120 Br6 Cl6 La2 O18 P6 -","- C156 H240 Br12 Cl12 La4 O36 P12 -","2","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0749","0.0531","","","0.1195","0.1346","","","","","","1.11","","","","has coordinates,has disorder","260749","2021-01-07","06:18:09",""
"7705718","13.6169","0.0007","15.8635","0.0009","17.6449","0.0008","103.591","0.004","100.785","0.004","111.726","0.004","3279.2","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 Br3 Cl3 Nd O10 P3 -","- C63 H74 Br3 Cl3 Nd O10 P3 -","- C126 H148 Br6 Cl6 Nd2 O20 P6 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0898","0.0477","","","0.0943","0.1118","","","","","","1.057","","","","has coordinates","260749","2021-01-07","06:18:09",""
"7705719","13.9287","0.0004","13.9984","0.0004","14.8205","0.0004","91.1","0.002","104.058","0.002","119.094","0.002","2417.11","0.13","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H126 Cl6 La2 O18 P6 -","- C78 H126 Cl6 La2 O18 P6 -","- C78 H126 Cl6 La2 O18 P6 -","1","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0279","0.0272","","","0.075","0.0755","","","","","","1.078","","","","has coordinates","260749","2021-01-07","06:18:09",""
"7705720","21.3578","0.0006","16.3493","0.0006","22.3921","0.0006","90","","115.243","0.002","90","","7072.3","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H80 Br3 Cl3 Er O10 P3 -","- C67 H80 Br3 Cl3 Er O10 P3 -","- C268 H320 Br12 Cl12 Er4 O40 P12 -","4","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.076","0.0661","","","0.1761","0.1915","","","","","","1.038","","","","has coordinates","260749","2021-01-07","06:18:09",""
"7705721","13.4455","0.0005","13.7347","0.0006","15.6918","0.0007","97.274","0.003","98.726","0.003","93.626","0.003","2831.1","0.2","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H128 Br6 Cl6 La2 O16 P4 -","- C106 H128 Br6 Cl6 La2 O16 P4 -","- C106 H128 Br6 Cl6 La2 O16 P4 -","1","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0728","0.0437","","","0.0885","0.1035","","","","","","1.079","","","","has coordinates,has disorder","260749","2021-01-07","06:18:09",""
"7705722","9.4383","0.0005","10.7965","0.0006","11.0469","0.0004","109.736","0.004","100.143","0.004","90.382","0.005","1040.34","0.09","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Dy2 N8 O12 -","- C36 H42 Dy2 N8 O12 -","- C36 H42 Dy2 N8 O12 -","1","0.5","","Su, Sen-Da; Li, Jia-Xin; Xu, Fan; Wang, Chen-Xiao; Wang, Kai; Li, Yan; Zhang, Shu-Hua; Zhang, Xiu-Qing; Zhang, Yi-Quan; Liang, Fu-Pei","Dy<sup>III</sup> single-molecule magnets from ligands incorporating both amine and acylhydrazine Schiff base groups: the centrosymmetric {Dy<sub>2</sub>} displaying dual magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15739","15749","10.1039/c9dt04434e","","x-ray","0.71073","MoKα","","0.0324","0.0273","","","0.0522","0.0543","","","","","","1.04","","","","has coordinates","260732","2021-01-07","06:11:15",""
"7705723","9.4259","0.0004","10.7569","0.0003","11.1938","0.0003","109.174","0.003","100.065","0.003","90.167","0.003","1053.3","0.06","302.13","0.1","302.13","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Dy2 N8 O12 -","- C38 H46 Dy2 N8 O12 -","- C38 H46 Dy2 N8 O12 -","1","0.5","","Su, Sen-Da; Li, Jia-Xin; Xu, Fan; Wang, Chen-Xiao; Wang, Kai; Li, Yan; Zhang, Shu-Hua; Zhang, Xiu-Qing; Zhang, Yi-Quan; Liang, Fu-Pei","Dy<sup>III</sup> single-molecule magnets from ligands incorporating both amine and acylhydrazine Schiff base groups: the centrosymmetric {Dy<sub>2</sub>} displaying dual magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15739","15749","10.1039/c9dt04434e","","x-ray","0.71073","MoKα","","0.0388","0.034","","","0.085","0.087","","","","","","1.044","","","","has coordinates","260732","2021-01-07","06:11:15",""
"7705724","24.8663","0.0014","25.6934","0.0013","33.2952","0.0017","90","","94.804","0.002","90","","21197.6","1.9","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C193.5 H226 Dy12 N24 O61.5 -","- C193.5 H226 Dy12 N24 O61.5 -","- C774 H904 Dy48 N96 O246 -","4","1","","Su, Sen-Da; Li, Jia-Xin; Xu, Fan; Wang, Chen-Xiao; Wang, Kai; Li, Yan; Zhang, Shu-Hua; Zhang, Xiu-Qing; Zhang, Yi-Quan; Liang, Fu-Pei","Dy<sup>III</sup> single-molecule magnets from ligands incorporating both amine and acylhydrazine Schiff base groups: the centrosymmetric {Dy<sub>2</sub>} displaying dual magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15739","15749","10.1039/c9dt04434e","","","0.71073","MoKα","","0.0981","0.0539","","","0.1204","0.1476","","","","","","1.09","","","","has coordinates,has disorder","260732","2021-01-07","06:11:15",""
"7705725","4.854","0.001","21.542","0.004","15.408","0.003","90","","92.6","0.03","90","","1609.5","0.5","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C84 H84 N12 -","4","1","","Zhang, Shanshan; Wang, Zheng; Cao, Qianrong; Yue, Erlin; Liu, Qingbin; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Aza-crown compounds synthesised by the self-condensation of 2-amino-benzyl alcohol over a pincer ruthenium catalyst and applied in the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15821","15827","10.1039/d0dt03257c","","","0.71073","MoKα","","0.0717","0.0687","","","0.1642","0.1665","","","","","","1.152","","","","has coordinates","260735","2021-01-07","06:11:57",""
"7705726","18","0.004","7.9196","0.0016","19.361","0.004","90","","93.93","0.03","90","","2753.5","1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N5 -","- C35 H33 N5 -","- C140 H132 N20 -","4","1","","Zhang, Shanshan; Wang, Zheng; Cao, Qianrong; Yue, Erlin; Liu, Qingbin; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Aza-crown compounds synthesised by the self-condensation of 2-amino-benzyl alcohol over a pincer ruthenium catalyst and applied in the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15821","15827","10.1039/d0dt03257c","","","0.71073","MoKα","","0.0923","0.0791","","","0.1652","0.1746","","","","","","1.0387","","","","has coordinates","260735","2021-01-07","06:11:57",""
"7705727","18.3316","0.001","32.7986","0.0014","8.1963","0.0003","90","","90","","90","","4928","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H24 Bi2 I14 N4 -","- C20 H24 Bi2 I14 N4 -","- C80 H96 Bi8 I56 N16 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.1027","0.0714","","","0.224","0.2374","","","","","","1.072","","","","has coordinates,has disorder","258731","2020-11-04","20:00:40",""
"7705728","8.5623","0.0006","18.844","0.001","28.796","0.002","90","","90","","90","","4646.2","0.5","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H38 Bi2 I9 N3 O4 -","- C23 H38 Bi2 I9 N3 O4 -","- C92 H152 Bi8 I36 N12 O16 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.0478","0.0346","","","0.0806","0.0827","","","","","","0.954","","","","has coordinates,has disorder","258731","2020-11-04","20:00:41",""
"7705729","8.5313","0.0005","18.8548","0.001","28.583","0.002","90","","90","","90","","4597.7","0.5","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H38 I9 N3 O4 Sb2 -","- C23 H38 I9 N3 O4 Sb2 -","- C92 H152 I36 N12 O16 Sb8 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.103","0.0622","","","0.1449","0.1647","","","","","","1.027","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705730","14.6088","0.0006","23.6348","0.0009","9.9053","0.0004","90","","90","","90","","3420.1","0.2","100","","100.01","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 Bi2 I9 N3 -","- C15 H18 Bi2 I9 N3 -","- C60 H72 Bi8 I36 N12 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0535","0.032","","","0.043","0.0468","","","","","","1.073","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705731","19.4579","0.0008","19.9643","0.0006","12.4327","0.0005","90","","107.255","0.003","90","","4612.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Bi6 I22 N4 O8 -","- C36 H64 Bi6 I22 N4 O8 -","- C72 H128 Bi12 I44 N8 O16 -","2","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.0471","0.0328","","","0.0792","0.0819","","","","","","1.008","","","","has coordinates","258731","2020-11-04","20:00:42",""
"7705732","9.9152","0.0005","10.0648","0.0005","11.4957","0.0006","64.871","0.001","78.306","0.002","85.68","0.002","1017","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16.8 Bi3 Cu1.2 I12 N3 -","- C15 H16.8 Bi3 Cu1.2 I12 N3 -","- C15 H16.8 Bi3 Cu1.2 I12 N3 -","1","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0539","0.0364","","","0.0534","0.0568","","","","","","1.074","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705733","10.7505","0.0007","11.6799","0.0008","13.02","0.0013","102.317","0.007","111.546","0.007","109.35","0.005","1326.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Bi2 I7 N O2 -","- C9 H16 Bi2 I7 N O2 -","- C18 H32 Bi4 I14 N2 O4 -","2","1","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0425","0.0246","","","0.0459","0.0482","","","","","","0.935","","","","has coordinates","258731","2020-11-04","20:00:43",""
"7705734","9.9874","0.0006","10.1149","0.0006","11.6385","0.0007","65.08","0.002","78.747","0.002","86.282","0.002","1045.58","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Bi3 Cu I12 N3 -","- C15 H17 Bi3 Cu I12 N3 -","- C15 H17 Bi3 Cu I12 N3 -","1","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0642","0.0484","","","0.1134","0.1195","","","","","","1.168","","","","has coordinates,has disorder","258731","2020-11-04","20:00:43",""
"7705735","15.2422","0.0006","16.9179","0.0006","27.128","0.0016","90","","99.245","0.004","90","","6904.5","0.6","130.01","0.1","130.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H38 Bi Cl3 N10 O14 -","- C18 H38 Bi Cl3 N10 O14 -","- C144 H304 Bi8 Cl24 N80 O112 -","8","1","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","0.71073","MoKα","","0.0455","0.0424","","","0.1098","0.1116","","","","","","1.03","","","","has coordinates,has disorder","258732","2020-11-04","20:05:50",""
"7705736","13.395","0.0007","20.6036","0.0012","26.808","0.0014","95.435","0.004","101.326","0.004","102.064","0.005","7022.8","0.7","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B2 N10 O2 -","- C66 H80 B2 N10 O2 -","- C264 H320 B8 N40 O8 -","4","2","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","1.54184","CuKα","","0.1392","0.0758","","","0.1861","0.2275","","","","","","0.93","","","","has coordinates","258732","2020-11-04","20:05:51",""
"7705737","12.2202","0.0003","15.0117","0.0003","18.5855","0.0006","95.581","0.002","108.614","0.002","99.64","0.002","3143.75","0.15","130.01","0.1","130.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C18 H37 Cl2 N10 O12.5 Pb -","- C18 H38 Cl2 N10 O12.5 Pb -","- C72 H152 Cl8 N40 O50 Pb4 -","4","4","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","0.71073","MoKα","","0.0329","0.0314","","","0.0707","0.0717","","","","","","1.024","","","","has coordinates,has disorder","258732","2020-11-04","20:05:51",""
"7705738","3.6911","0.0005","3.6911","0.0005","19.146","0.004","90","","90","","90","","260.85","0.07","100","2","100","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ga Ni5.8 Te2 -","- Ga Ni5.794 Te2 -","- Ga2 Ni11.588 Te4 -","2","0.0625","","Stroganova, Ekaterina A.; Kazakov, Sergey M.; Efimov, Nikolay N.; Khrustalev, Victor N.; Keilholz, Simon; Götze, Andre; Kohlmann, Holger; Kuznetsov, Alexey N.","Nickel - p-block metal mixed chalcogenides based on AuCu<sub>3</sub>-type fragments: iodine-assisted synthesis as a way of obtaining new structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15081","15094","10.1039/d0dt03082a","","","0.80246","synchrotron","","0.038","0.0363","","","0.0957","0.097","","","","","","1.074","","","","has coordinates","258733","2020-11-04","20:08:09",""
"7705739","12.7558","0.0015","15.2686","0.0017","19.312","0.002","87.366","0.004","79.437","0.004","84.981","0.004","3681.6","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H61 B F22 N2 P2 -","- C78 H56 B F21 N2 P2 -","- C156 H112 B2 F42 N4 P4 -","2","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0855","0.0561","","","0.1269","0.1385","","","","","","1.035","","","","has coordinates,has disorder","258734","2020-11-04","20:16:02",""
"7705740","16.4774","0.001","15.4422","0.001","16.5828","0.0009","90","","91.484","0.002","90","","4218","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 N5 P2 -","- C48 H51 N5 P2 -","- C192 H204 N20 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0615","0.0463","","","0.1292","0.1433","","","","","","1.082","","","","has coordinates","258734","2020-11-04","20:16:02",""
"7705741","12.6722","0.0011","20.9488","0.0019","16.0188","0.0015","90","","105.781","0.003","90","","4092.2","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N2 O P3 -","- C49.001 H51.001 N2 O1.001 P3.001 -","- C196.004 H204.004 N8 O4.004 P12.004 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.096","0.0529","","","0.1134","0.1347","","","","","","1.008","","","","has coordinates,has disorder","258734","2020-11-04","20:16:03",""
"7705742","12.7266","0.0006","20.713","0.001","16.2878","0.0008","90","","105.289","0.002","90","","4141.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N3 P2 -","- C49 H51 N3 P2 -","- C196 H204 N12 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0979","0.0667","","","0.1356","0.1483","","","","","","1.129","","","","has coordinates,has disorder","258734","2020-11-04","20:16:03",""
"7705743","12.4228","0.0014","20.972","0.002","16.3967","0.0018","90","","108.795","0.002","90","","4044.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Cl N2 P2 -","- C48 H51 Cl N2 P2 -","- C192 H204 Cl4 N8 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0887","0.058","","","0.1288","0.142","","","","","","1.062","","","","has coordinates,has disorder","258734","2020-11-04","20:16:03",""
"7705744","16.5127","0.001","15.4285","0.0008","16.5927","0.0009","90","","91.549","0.002","90","","4225.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N3 O P2 -","- C49 H51 N3 O P2 -","- C196 H204 N12 O4 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.076","0.0465","","","0.1141","0.1349","","","","","","1.075","","","","has coordinates","258734","2020-11-04","20:16:03",""
"7705745","10.8878","0.0005","19.191","0.0009","31.0546","0.0013","90","","98.354","0.002","90","","6419.9","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","bi[s(acetonitrile)bis[diphenylphosphanyl)2-benzyl]trichlorodiruthenium tetrafluo","bis(acetonitrile)bis[N,N-bis(diphenylphosphanyl)2-benzyl-k2 P,P] trichlorodiruthenium tetrafluoroborate","","- C66 H60 B Cl3 F4 N4 P4 Ru2 -","- C66 H60 B Cl3 F4 N4 P4 Ru2 -","- C264 H240 B4 Cl12 F16 N16 P16 Ru8 -","4","1","","da Silva, Juliana P.; Fuganti, Otávio; Kramer, M. Gabriela; Facchin, Gianella; Aquino, Lucas E. N.; Ellena, Javier; Back, Davi F.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Lopes, Luiz G. F.; Machado, Silvane; Guimarães, Ivelise D L; Wohnrath, Karen; de Araujo, Márcio P","Electrochemical, mechanistic, and DFT studies of amine derived diphosphines containing Ru(II)-cymene complexes with potent <i>in vitro</i> cytotoxic activity against HeLa and triple-negative breast cancer cells MDA-MB-231.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16498","16514","10.1039/d0dt02500c","","","0.71073","MoKα","","0.1663","0.0665","","","0.1038","0.1165","","","","","","1","","","","has coordinates","259387","2020-12-01","03:12:17",""
"7705746","10.796","0.0006","12.236","0.0007","15.309","0.0005","96.965","0.003","91.221","0.003","97.427","0.002","1989.15","0.17","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H41.5 B Cl F4 N O0.25 P2 Ru -","- C41 H41.5 B Cl F4 N O0.25 P2 Ru -","- C82 H83 B2 Cl2 F8 N2 O0.5 P4 Ru2 -","2","1","","da Silva, Juliana P.; Fuganti, Otávio; Kramer, M. Gabriela; Facchin, Gianella; Aquino, Lucas E. N.; Ellena, Javier; Back, Davi F.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Lopes, Luiz G. F.; Machado, Silvane; Guimarães, Ivelise D L; Wohnrath, Karen; de Araujo, Márcio P","Electrochemical, mechanistic, and DFT studies of amine derived diphosphines containing Ru(II)-cymene complexes with potent <i>in vitro</i> cytotoxic activity against HeLa and triple-negative breast cancer cells MDA-MB-231.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16498","16514","10.1039/d0dt02500c","","x-ray","0.7107","MoKα","","0.0735","0.0515","","","0.1359","0.1483","","","","","","1.07","","","","has coordinates,has disorder","259387","2020-12-01","03:12:19",""
"7705749","12.0235","0.0006","14.4027","0.0007","17.5331","0.0008","105.429","0.0007","103.493","0.0006","94.0182","0.0006","2817.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cl Ir N2 O2 Si2 -","- C24 H40 Cl Ir N2 O2 Si2 -","- C96 H160 Cl4 Ir4 N8 O8 Si8 -","4","2","","Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J","2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17665","17673","10.1039/d0dt03326j","","","0.71073","MoKα","","0.0301","0.0247","","","0.0627","0.0655","","","","","","1.034","","","","has coordinates","260770","2021-01-07","06:24:43",""
"7705750","9.2857","0.0005","11.6094","0.0006","14.774","0.0008","91.061","0.001","96.468","0.001","104.489","0.001","1530.38","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 F3 Ir N2 O4 Si2 -","- C26 H40 F3 Ir N2 O4 Si2 -","- C52 H80 F6 Ir2 N4 O8 Si4 -","2","1","","Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J","2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17665","17673","10.1039/d0dt03326j","","","0.71073","MoKα","","0.0355","0.0313","","","0.0709","0.0734","","","","","","1.044","","","","has coordinates,has disorder","260770","2021-01-07","06:24:43",""
"7705751","10.4264","0.0006","16.6127","0.0009","18.0892","0.001","90","","90.609","0.001","90","","3133.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 F3 Ir N2 O5 S Si2 -","- C25 H40 F3 Ir N2 O5 S Si2 -","- C100 H160 F12 Ir4 N8 O20 S4 Si8 -","4","1","","Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J","2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17665","17673","10.1039/d0dt03326j","","","0.71073","MoKα","","0.0378","0.0268","","","0.055","0.0581","","","","","","1.034","","","","has coordinates,has disorder","260770","2021-01-07","06:24:43",""
"7705756","24.5656","0.0012","20.2178","0.0006","27.3542","0.0013","90","","119.282","0.006","90","","11849.8","1.1","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H129 Co11 N16 O56 S8 -","- C78 H129 Co11 N16 O56 S8 -","- C312 H516 Co44 N64 O224 S32 -","4","0.5","","Jiang, Li-Ping; Kurmoo, Mohamedally; Zeng, Ming-Hua","The dominance of sulfate over two organic ligands in the solvothermal assembly of an undecanuclear cobaltous cluster: crystallography and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17683","17688","10.1039/d0dt02880k","","x-ray","1.54184","CuKα","","0.0967","0.0787","","","0.2256","0.2429","","","","","","1.066","","","","has coordinates,has disorder","260765","2021-01-07","06:23:44",""
"7705757","10.2725","0.0018","12.332","0.002","12.943","0.004","106.574","0.004","107.651","0.004","105.595","0.002","1379.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cd3 Cs3 O58 Ru6 -","- C12 H44 Cd3 Cs3 O58 Ru6 -","- C12 H44 Cd3 Cs3 O58 Ru6 -","1","0.5","","Feng, Li-Na; Tian, Yu-Chen; Li, Jing-Yu; Yang, Jian-Hui; Liu, Bin","Grinding enhances the magnetic hardness of heterometallic diruthenium(ii,iii) carbonates with a kagome lattice structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17152","17156","10.1039/d0dt03807e","","","0.71073","MoKα","","0.071","0.0488","","","0.1312","0.1511","","","","","","1.009","","","","has coordinates","260750","2021-01-07","06:18:27",""
"7705758","9.1845","0.0002","10.3327","0.0002","11.9654","0.0002","98.419","0.001","108.109","0.001","91.791","0.001","1064.08","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Eu N6 O12 -","- C17 H17 Eu N6 O12 -","- C34 H34 Eu2 N12 O24 -","2","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0235","0.0208","","","0.0502","0.0525","","","","","","1.069","","","","has coordinates","260760","2021-01-07","06:20:35",""
"7705759","16.3794","0.0004","7.2856","0.0002","11.7073","0.0003","90","","97.229","0.001","90","","1385.97","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0727","0.0539","","","0.14","0.1547","","","","","","1.026","","","","has coordinates","260760","2021-01-07","06:20:35",""
"7705760","7.8052","0.0001","11.891","0.0001","14.2668","0.0002","72.557","0.001","86.355","0.001","77.223","0.001","1231.95","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N6 O14 Tb -","- C17 H15 N6 O14 Tb -","- C34 H30 N12 O28 Tb2 -","2","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0459","0.0372","","","0.0952","0.099","","","","","","1.098","","","","has coordinates,has disorder","260760","2021-01-07","06:20:35",""
"7705761","5.9472","0.0002","16.0747","0.0006","14.3716","0.0005","90","","93.503","0.001","90","","1371.35","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O2 S -","- C15.08 H13.08 N3 O2 S -","- C60.32 H52.32 N12 O8 S4 -","4","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0679","0.0531","","","0.1374","0.149","","","","","","1.034","","","","has coordinates,has disorder","260760","2021-01-07","06:20:35",""
"7705762","6.477","0.0015","13.825","0.002","19.041","0.003","90","","93.196","0.008","90","","1702.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B Cr N O5 Si -","- C12 H18 B Cr N O5 Si -","- C48 H72 B4 Cr4 N4 O20 Si4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0414","0.0326","","","0.0814","0.0861","","","","","","1.074","","","","has coordinates,has disorder","260767","2021-01-07","06:24:01",""
"7705763","16.269","0.012","9.827","0.007","16.702","0.012","90","","123.96","0.02","90","","2215","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 B Co2 N O2 Si -","- C21 H32 B Co2 N O2 Si -","- C84 H128 B4 Co8 N4 O8 Si4 -","4","0.5","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0597","0.0464","","","0.1231","0.1322","","","","","","1.068","","","","has coordinates,has disorder","260767","2021-01-07","06:24:02",""
"7705764","8.443","0.004","35.377","0.019","10.387","0.005","90","","97.236","0.014","90","","3078","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 B2 Ir N2 Si2 -","- C24 H51 B2 Ir N2 Si2 -","- C96 H204 B8 Ir4 N8 Si8 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0332","0.028","","","0.0551","0.0565","","","","","","1.114","","","","has coordinates,has disorder","260767","2021-01-07","06:24:02",""
"7705765","15.031","0.004","6.621","0.0014","18.182","0.004","90","","105.893","0.012","90","","1740.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B Mo N O5 Si -","- C12 H18 B Mo N O5 Si -","- C48 H72 B4 Mo4 N4 O20 Si4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0348","0.0268","","","0.0588","0.061","","","","","","1.106","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705766","12.436","0.003","9.8525","0.0018","16.497","0.003","90","","96.081","0.014","90","","2009.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B N Ni2 O Si -","- C18 H28 B N Ni2 O Si -","- C72 H112 B4 N4 Ni8 O4 Si4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0533","0.0371","","","0.0913","0.097","","","","","","1.085","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705767","26.48","0.01","9.257","0.003","16.494","0.008","90","","100.343","0.008","90","","3977","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 B N Ni2 O Si -","- C18 H28 B N Ni2 O Si -","- C144 H224 B8 N8 Ni16 O8 Si8 -","8","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0824","0.0416","","","0.0778","0.0888","","","","","","1.007","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705768","14.971","0.004","6.588","0.0018","18.181","0.004","90","","106.059","0.009","90","","1723.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B N O5 Si W -","- C12 H18 B N O5 Si W -","- C48 H72 B4 N4 O20 Si4 W4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.021","0.0184","","","0.0393","0.0399","","","","","","1.086","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705769","13.38","0.005","13.438","0.005","19.996","0.007","90","","90","","90","","3595","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H23 B N O3 Si V -","- C15 H23 B N O3 Si V -","- C120 H184 B8 N8 O24 Si8 V8 -","8","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.028","0.0232","","","0.06","0.064","","","","","","1.053","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705783","9.3283","0.0009","30.151","0.003","9.6156","0.0009","90","","90","","90","","2704.5","0.5","296","2","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H16 N25 Na5 O5 S2 -","- C4 H16 N25 Na5 O5 S2 -","- C16 H64 N100 Na20 O20 S8 -","4","0.5","","Cao, Yuteng; Huang, Shiliang; Zhang, Qinghua; Zhang, Wenquan","A pentazolate-based bowl-shaped molecular container.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17542","17546","10.1039/d0dt03669b","","","0.71073","MoKα","","0.0502","0.0407","","","0.0874","0.094","","","","","","1.05","","","","has coordinates","260754","2021-01-07","06:19:36",""
"7705784","9.0531","0.0004","12.0362","0.0005","13.5471","0.0006","75.96","0.004","80.757","0.004","78.901","0.003","1395.18","0.11","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 F3 Fe N5 O3 S2 -","- C26 H28 F3 Fe N5 O3 S2 -","- C52 H56 F6 Fe2 N10 O6 S4 -","2","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","1.54184","CuKα","","0.0507","0.0443","","","0.1158","0.122","","","","","","1.045","","","","has coordinates","260758","2021-01-07","06:20:18",""
"7705785","18.4246","0.0003","10.08864","0.00008","16.8017","0.0003","90","","109.973","0.0018","90","","2935.24","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 F6 Fe N7 O6 S2 -","- C22 H23 F6 Fe N7 O6 S2 -","- C88 H92 F24 Fe4 N28 O24 S8 -","4","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","1.54184","CuKα","","0.0691","0.0654","","","0.1401","0.1423","","","","","","1.084","","","","has coordinates","260758","2021-01-07","06:20:19",""
"7705786","10.5475","0.0002","14.188","0.0003","14.5112","0.0004","78.014","0.002","89.101","0.002","86.0173","0.0019","2119.1","0.09","100.05","0.1","100.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H53 B Cl Fe N6 S -","- C47 H53 B Cl Fe N6 S -","- C94 H106 B2 Cl2 Fe2 N12 S2 -","2","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","1.54184","CuKα","","0.0512","0.0472","","","0.1301","0.134","","","","","","1.067","","","","has coordinates,has disorder","260758","2021-01-07","06:20:19",""
"7705787","9.5013","0.0003","11.2872","0.0003","13.9411","0.0004","108.709","0.002","90.333","0.002","104.252","0.002","1366.64","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F6 Fe N7 O6 S2 -","- C20 H23 F6 Fe N7 O6 S2 -","- C40 H46 F12 Fe2 N14 O12 S4 -","2","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","0.71073","MoKα","","0.0564","0.0419","","","0.0922","0.1012","","","","","","1.05","","","","has coordinates,has disorder","260758","2021-01-07","06:20:19",""
"7705788","8.3324","0.0007","14.1207","0.0013","16.7259","0.0015","90","","90.053","0.005","90","","1968","0.3","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B F3 N O3 S -","- C16 H25 B F3 N O3 S -","- C64 H100 B4 F12 N4 O12 S4 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.1448","0.0593","","","0.1045","0.1308","","","","","","1.001","","","","has coordinates,has disorder","260762","2021-01-07","06:22:27",""
"7705789","16.669","0.002","17.845","0.0018","17.41","0.002","90","","117.46","0.006","90","","4595.3","0.9","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B Cl3 F20 N -","- C50 H24 B Cl3 F20 N -","- C200 H96 B4 Cl12 F80 N4 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.1557","0.0621","","","0.1278","0.1732","","","","","","1.036","","","","has coordinates,has disorder","260762","2021-01-07","06:22:38",""
"7705790","7.8721","0.0006","13.7189","0.0008","15.4418","0.0011","90","","103.396","0.003","90","","1622.29","0.19","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B Cl N -","- C15 H25 B Cl N -","- C60 H100 B4 Cl4 N4 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0461","0.0372","","","0.0959","0.1029","","","","","","1.0558","","","","has coordinates","260762","2021-01-07","06:22:42",""
"7705791","10.5709","0.0004","11.4698","0.0005","28.3489","0.001","90","","90","","90","","3437.2","0.2","149.44","","149.44","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 B Cl7 Ga2 N3 -","- C22 H39 B Cl7 Ga2 N3 -","- C88 H156 B4 Cl28 Ga8 N12 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0942","0.0462","","","0.0767","0.0868","","","","","","1.0099","","","","has coordinates","260762","2021-01-07","06:22:54",""
"7705792","9.4798","0.001","17.8564","0.0018","22.909","0.003","90","","90","","90","","3877.9","0.8","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 B Cl7 Ga2 N3 -","- C28 H47 B Cl7 Ga2 N3 -","- C112 H188 B4 Cl28 Ga8 N12 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0877","0.0486","","","0.0813","0.0934","","","","","","1.0271","","","","has coordinates","260762","2021-01-07","06:23:07",""
"7705793","10.9","0.0004","10.3872","0.0003","15.0631","0.0005","90","","102.886","0.002","90","","1662.5","0.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Mörtel, Max; Seller, Michael; Heinemann, Frank W.; Khusniyarov, Marat M.","A valence tautomeric cobalt-dioxolene complex with an anchoring group for prospective chemical grafting to metal oxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17532","17536","10.1039/d0dt03771k","","","0.71073","MoKα","","0.0794","0.0475","","","0.1095","0.136","","","","","","1.075","","","","has coordinates","260757","2021-01-07","06:20:03",""
"7705794","10.6539","0.0006","11.6692","0.0006","17.952","0.001","98.739","0.002","94.709","0.002","105.38","0.002","2109.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 Co N2 O6 -","- C49 H56 Co N2 O6 -","- C98 H112 Co2 N4 O12 -","2","1","","Mörtel, Max; Seller, Michael; Heinemann, Frank W.; Khusniyarov, Marat M.","A valence tautomeric cobalt-dioxolene complex with an anchoring group for prospective chemical grafting to metal oxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17532","17536","10.1039/d0dt03771k","","","0.71073","MoKα","","0.0763","0.0526","","","0.1095","0.1188","","","","","","1.059","","","","has coordinates","260757","2021-01-07","06:20:03",""
"7705795","10.8175","0.0004","11.909","0.0004","17.9599","0.0006","99.162","0.001","93.243","0.001","105.816","0.001","2185.5","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 Co N2 O6 -","- C49 H56 Co N2 O6 -","- C98 H112 Co2 N4 O12 -","2","1","","Mörtel, Max; Seller, Michael; Heinemann, Frank W.; Khusniyarov, Marat M.","A valence tautomeric cobalt-dioxolene complex with an anchoring group for prospective chemical grafting to metal oxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17532","17536","10.1039/d0dt03771k","","","0.71073","MoKα","","0.0882","0.0594","","","0.1299","0.1424","","","","","","1.054","","","","has coordinates,has disorder","260757","2021-01-07","06:20:03",""
"7705796","11.2025","0.0002","10.8541","0.0002","8.8565","0.0002","90","","115.758","0.001","90","","969.89","0.03","296","2","296","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C6 H16 F7 N9 O5 Ti Zn3 -","- C6 H16 F7 N9 O5 Ti Zn3 -","- C12 H32 F14 N18 O10 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","","","0.71073","MoKα","","0.0297","0.0295","","","0.0843","0.0849","","","","","","1.122","","","","has coordinates","260763","2021-01-07","06:23:22",""
"7705797","11.2482","0.0007","10.725","0.0007","8.801","0.0005","90","","114.673","0.003","90","","964.8","0.11","355","","355","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C6 F7 N9 O2 Ti Zn3 -","- C6 F7 N9 O2 Ti Zn3 -","- C12 F14 N18 O4 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","10.7546","4.3267","","","","","","","has coordinates","260763","2021-01-07","06:23:24",""
"7705798","11.199","0.0003","10.6391","0.0003","7.3676","0.0002","90","","102.466","0.001","90","","857.13","0.04","296","","296","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C6 H6 F7 N9 Ti Zn3 -","- C6 H6 F7 N9 Ti Zn3 -","- C12 H12 F14 N18 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","2.5793","1.9078","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705799","17.3542","0.0006","9.9387","0.0004","11.2606","0.0004","90","","90","","90","","1942.21","0.12","296","","296","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H10 F7 N9 O2 Ti Zn3 -","- C6 H10 F7 N9 O2 Ti Zn3 -","- C24 H40 F28 N36 O8 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","5.8382","4.4589","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705800","17.02","0.011","10.292","0.007","11.213","0.007","90","","90","","90","","1964","2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H16 F7 N9 O3 Ti Zn3 -","- C8 H10 F7 N9 O3 Ti Zn3 -","- C32 H40 F28 N36 O12 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","","","0.71073","MoKα","","0.0643","0.0394","","","0.1016","0.1131","","","","","","1.114","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705801","17.5556","0.0014","10.091","0.0007","9.9786","0.0007","90","","90","","90","","1767.7","0.2","405","","405","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H6 F7 N9 Ti Zn3 -","- C6 H6 F7 N9 Ti Zn3 -","- C24 H24 F28 N36 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","7.9544","1.5958","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705802","41.4111","0.0011","41.4111","0.0011","41.4111","0.0011","90","","90","","90","","71015","3","123","2","123","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H180 Ag13 Cu10 S12 -","- C120 H180 Ag13 Cu10 S12 -","- C1920 H2880 Ag208 Cu160 S192 -","16","0.0833333","","Bao, Yizheng; Wu, Xiaohang; Gao, Hongjie; Zhou, Manman; Chen, Shuang; Jin, Shan; Yu, Haizhu; Zhu, Manzhou","The geometric and electronic structures of a Ag<sub>13</sub>Cu<sub>10</sub>(SAdm)<sub>12</sub>X<sub>3</sub> nanocluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17164","17168","10.1039/d0dt03638b","","","0.71073","MoKα","","0.0475","0.0307","","","0.105","0.1078","","","","","","1.023","","","","has coordinates","260752","2021-01-07","06:18:53",""
"7705803","11.969","0.0009","15.4198","0.001","17.42","0.0014","74.789","0.006","70.647","0.007","76.008","0.006","2884.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H60 Ca3 N8 O20 -","- C96 H60 Ca3 N8 O20 -","- C96 H60 Ca3 N8 O20 -","1","0.5","","Qin, Jian-Hua; Zhang, Hua; Sun, Pengfei; Huang, Ya-Dan; Shen, Qingming; Yang, Xiao-Gang; Ma, Lu-Fang","Ionic liquid induced highly dense assembly of porphyrin in MOF nanosheets for photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17772","17778","10.1039/d0dt03031g","","x-ray","0.71073","MoKα","","0.1423","0.0893","","","0.2197","0.2478","","","","","","1.031","","","","has coordinates","260766","2021-01-07","06:23:49",""
"7705804","7.9518","0.001","12.8353","0.0015","12.866","0.0015","100.522","0.001","98.214","0.001","104.071","0.001","1228","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Dy N9 S3 -","- C21 H18 Dy N9 S3 -","- C42 H36 Dy2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0214","0.0197","","","0.0465","0.0473","","","","","","1.029","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705805","8.4534","0.0006","12.5863","0.0009","13.169","0.0009","97.086","0.001","105.583","0.001","97.529","0.001","1319.43","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Er N9 S3 -","- C23 H22 Er N9 S3 -","- C46 H44 Er2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0218","0.0193","","","0.0416","0.0428","","","","","","1.029","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705806","8.4497","0.0015","12.612","0.002","13.166","0.002","97.249","0.002","105.438","0.002","97.531","0.002","1321.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Dy N9 S3 -","- C23 H22 Dy N9 S3 -","- C46 H44 Dy2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.056","0.0406","","","0.077","0.0837","","","","","","0.992","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705807","22.428","0.004","8.3139","0.0014","18.411","0.003","90","","108.319","0.002","90","","3259","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H39 Dy2 N19 S6 -","- C60 H39 Dy2 N19 S6 -","- C120 H78 Dy4 N38 S12 -","2","0.5","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0617","0.0456","","","0.1074","0.1148","","","","","","1.116","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705808","8.0032","0.0011","12.8417","0.0017","12.8568","0.0017","99.871","0.001","104.272","0.001","98.376","0.001","1236.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Er N9 S3 -","- C21 H18 Er N9 S3 -","- C42 H36 Er2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.026","0.0232","","","0.0553","0.0568","","","","","","1.047","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705809","22.426","0.008","8.327","0.003","18.47","0.007","90","","108.591","0.005","90","","3269","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Er N11 S3 -","- C31 H20 Er N10 S3 -","- C124 H80 Er4 N40 S12 -","4","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0964","0.0565","","","0.1155","0.1382","","","","","","1.044","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705820","12.5724","0.0005","17.8509","0.0008","20.6212","0.001","90","","90","","90","","4628","0.4","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Al2 N4 -","- C20 H42 Al2 N4 -","- C160 H336 Al16 N32 -","8","1","","Sandig-Predzymirska, Lesia; Ortmeyer, Jochen; Wagler, Jörg; Brendler, Erica; Habermann, Franziska; Anders, Martin; Felderhoff, Michael; Mertens, Florian","The direct and reversible hydrogenation of activated aluminium supported by piperidine.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17689","17698","10.1039/d0dt03175e","","","0.71073","MoKα","","0.0681","0.0473","","","0.1129","0.1216","","","","","","1.102","","","","has coordinates,has disorder","260756","2021-01-07","06:19:55",""
"7705821","8.6112","0.0009","8.8513","0.0009","10.9777","0.001","95.138","0.008","90.659","0.008","108.065","0.008","791.6","0.14","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H60 Al2 N6 -","- C30 H60 Al2 N6 -","- C30 H60 Al2 N6 -","1","0.5","","Sandig-Predzymirska, Lesia; Ortmeyer, Jochen; Wagler, Jörg; Brendler, Erica; Habermann, Franziska; Anders, Martin; Felderhoff, Michael; Mertens, Florian","The direct and reversible hydrogenation of activated aluminium supported by piperidine.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17689","17698","10.1039/d0dt03175e","","","0.71073","MoKα","","0.0638","0.0417","","","0.1006","0.1124","","","","","","1.05","","","","has coordinates","260756","2021-01-07","06:19:55",""
"7705822","8.244","0.004","15.11","0.006","9.885","0.004","90","","107.249","0.005","90","","1176","0.9","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl Cu Fe N3 -","- C25 H29 Cl Cu Fe N3 -","- C50 H58 Cl2 Cu2 Fe2 N6 -","2","1","","Haraguchi, Ryosuke; Yamazaki, Tatsuro; Torita, Koki; Ito, Tatsuki; Fukuzawa, Shin-Ichi","Planar-chiral ferrocene-based triazolylidene copper complexes: synthesis, characterization, and catalysis in asymmetric borylation of α,β-unsaturated ester.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17578","17583","10.1039/d0dt03213a","","","0.71075","MoKα","","0.0472","0.042","","","0.0982","0.0991","","","","","","1","","","","has coordinates","260764","2021-01-07","06:23:33",""
"7705823","15.573","0.006","10.617","0.004","31.122","0.013","90","","98.741","0.005","90","","5086","3","93","","93","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H29 Cl Cu Fe N3 -","- C25 H29 Cl Cu Fe N3 -","- C200 H232 Cl8 Cu8 Fe8 N24 -","8","2","","Haraguchi, Ryosuke; Yamazaki, Tatsuro; Torita, Koki; Ito, Tatsuki; Fukuzawa, Shin-Ichi","Planar-chiral ferrocene-based triazolylidene copper complexes: synthesis, characterization, and catalysis in asymmetric borylation of α,β-unsaturated ester.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17578","17583","10.1039/d0dt03213a","","","0.71075","MoKα","","0.0845","0.0571","","","0.0894","0.1018","","","","","","1","","","","has coordinates","260764","2021-01-07","06:23:34",""
"7705824","17.4723","0.0006","18.4311","0.0007","20.001","0.0007","113.376","0.003","102.769","0.003","106.168","0.003","5261.8","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H122 B2 Fe N10 -","- C130 H122 B2 Fe N10 -","- C260 H244 B4 Fe2 N20 -","2","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.2146","0.0733","","","0.1825","0.2365","","","","","","0.916","","","","has coordinates,has disorder","260753","2021-01-07","06:19:26",""
"7705825","14.4248","0.0004","19.6746","0.0004","28.0978","0.0007","90","","104.386","0.002","90","","7724.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H82 F6 Fe N10 O6 S2 -","- C84 H82 F6 Fe N10 O6 S2 -","- C336 H328 F24 Fe4 N40 O24 S8 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.2914","0.2418","","","0.6194","0.6262","","","","","","2.224","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705826","14.2071","0.0002","15.9757","0.0002","25.0471","0.0003","85.317","0.001","89.534","0.001","64.224","0.001","5099.79","0.12","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H132 F6 Fe N10 O9 S2 -","- C106 H132 F6 Fe N10 O9 S2 -","- C212 H264 F12 Fe2 N20 O18 S4 -","2","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.143","0.1378","","","0.4312","0.4349","","","","","","2.038","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705827","19.4211","0.0004","28.6434","0.0004","18.6619","0.0004","90","","113.495","0.001","90","","9520.7","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H122 Cl2 Fe N10 O10 -","- C100 H122 Cl2 Fe N10 O10 -","- C400 H488 Cl8 Fe4 N40 O40 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.0969","0.0747","","","0.2226","0.237","","","","","","1.085","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705828","19.82","0.0004","15.3369","0.0002","24.2864","0.0004","90","","104.072","0.001","90","","7161","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H69 Cl2 Fe N9 O8 -","- C69 H69 Cl2 Fe N9 O8 -","- C276 H276 Cl8 Fe4 N36 O32 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.1215","0.0793","","","0.2217","0.2539","","","","","","1.047","","","","has coordinates,has disorder","260753","2021-01-07","06:19:26",""
"7705829","21.5941","0.0002","16.9152","0.0002","22.182","0.0002","90","","107.76","0.001","90","","7716.25","0.14","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85 H88 Cl2 Fe N10 O9 -","- C85 H88 Cl2 Fe N10 O9 -","- C340 H352 Cl8 Fe4 N40 O36 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.0924","0.0709","","","0.2127","0.227","","","","","","1.084","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705830","14.8365","0.0002","18.3","0.0002","19.4293","0.0003","67.566","0.001","83.778","0.001","72.036","0.001","4638.02","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H114 B2 F8 Fe N10 -","- C98 H114 B2 F8 Fe N10 -","- C196 H228 B4 F16 Fe2 N20 -","2","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.1439","0.1318","","","0.3832","0.3986","","","","","","1.789","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705831","24.133","0.0006","15.2696","0.0003","39.7635","0.0011","90","","104.172","0.002","90","","14206.9","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 B2 F8 Fe N9 -","- C69 H69 B2 F8 Fe N9 -","- C552 H552 B16 F64 Fe8 N72 -","8","2","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.2209","0.1224","","","0.3698","0.4296","","","","","","1.146","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705833","11.135","0.006","16.187","0.009","14.755","0.008","90","","107.165","0.008","90","","2541","2","100","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Br F Ir N2 O -","- C27 H29 Br F Ir N2 O -","- C108 H116 Br4 F4 Ir4 N8 O4 -","4","1","","Borah, Dhrubajit; Saha, Biswajit; Sarma, Bipul; Das, Pankaj","A cyclometalated Ir(III)-NHC complex as a recyclable catalyst for acceptorless dehydrogenation of alcohols to carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16866","16876","10.1039/d0dt02341h","","","0.71073","MoKα","","0.1497","0.0676","","","0.1571","0.2017","","","","","","0.999","","","","has coordinates","259680","2020-12-09","02:59:09",""
"7705834","6.9778","0.0003","9.7904","0.0004","13.729","0.0005","91.559","0.002","93.484","0.002","110.598","0.002","875.14","0.06","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Al4 F4 N2 O22 P4 -","- C28 H34 Al4 F4 N2 O22 P4 -","- C28 H34 Al4 F4 N2 O22 P4 -","1","0.5","","Liang, Weichi; Wen, Jiali; Zhao, Yukai; Zhang, Meng; Jiang, Jiuxing","The embedding of fluorescent <i>N</i>-methyl-9-acridone into a topological new layered aluminophosphate SYSU-2 by one-pot synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17033","17038","10.1039/d0dt03006f","","","0.71073","MoKα","","0.0666","0.0456","","","0.1204","0.1303","","","","","","1.058","","","","has coordinates","259681","2020-12-09","02:59:42",""
"7705835","5.05224","0.00005","13.52734","0.00014","14.42744","0.00014","90","","90","","90","","986.02","0.017","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl-9-acridone","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Liang, Weichi; Wen, Jiali; Zhao, Yukai; Zhang, Meng; Jiang, Jiuxing","The embedding of fluorescent <i>N</i>-methyl-9-acridone into a topological new layered aluminophosphate SYSU-2 by one-pot synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17033","17038","10.1039/d0dt03006f","","x-ray","1.54184","CuKα","","0.0294","0.0292","","","0.0828","0.083","","","","","","1.074","","","","has coordinates","259681","2020-12-09","02:59:43",""
"7705836","23.7595","0.0011","14.4168","0.0011","31.0806","0.0018","90","","93.687","0.001","90","","10624.2","1.1","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H68 Cl4 O2 P6 Ru2 -","- C39 H68 Cl4 O2 P6 Ru2 -","- C312 H544 Cl32 O16 P48 Ru16 -","8","1","","Ou, Ya-Ping; Zhang, Jing; Hu, Yuxuan; Yin, Jun; Chi, Chunyan; Liu, Sheng Hua","Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16877","16886","10.1039/d0dt02883e","","","0.71073","MoKα","","0.0455","0.0366","","","0.1007","0.1051","","","","","","1.051","","","","has coordinates,has disorder","259682","2020-12-09","03:00:56",""
"7705837","12.6187","0.0011","13.0122","0.0012","25.898","0.002","90","","96.021","0.001","90","","4228.9","0.6","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H56 Cl3 O P3 Ru -","- C39 H56 Cl3 O P3 Ru -","- C156 H224 Cl12 O4 P12 Ru4 -","4","1","","Ou, Ya-Ping; Zhang, Jing; Hu, Yuxuan; Yin, Jun; Chi, Chunyan; Liu, Sheng Hua","Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16877","16886","10.1039/d0dt02883e","","","0.71073","MoKα","","0.0528","0.0468","","","0.1367","0.1468","","","","","","1.045","","","","has coordinates","259682","2020-12-09","03:00:57",""
"7705838","12.081","0.004","13.35","0.004","17.656","0.006","90","","94.255","0.005","90","","2839.7","1.6","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Cl6 O2 P6 Ru2 -","- C44 H71 Cl6 O2 P6 Ru2 -","- C88 H142 Cl12 O4 P12 Ru4 -","2","0.5","","Ou, Ya-Ping; Zhang, Jing; Hu, Yuxuan; Yin, Jun; Chi, Chunyan; Liu, Sheng Hua","Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16877","16886","10.1039/d0dt02883e","","","0.71073","MoKα","","0.158","0.1141","","","0.316","0.2402","","","","","","1.388","","","","has coordinates,has disorder","259682","2020-12-09","03:00:57",""
"7705839","24.49","0.004","9.7512","0.0016","19.335","0.003","90","","101.155","0.003","90","","4530.1","1.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 F9 La N4 O7 -","- C49 H35 F9 La N4 O7 -","- C196 H140 F36 La4 N16 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","0.71073","MoKα","","0.1046","0.0503","","","0.1205","0.1338","","","","","","0.841","","","","has coordinates","259683","2020-12-09","03:02:31",""
"7705840","8.3614","0.0001","26.3721","0.0004","18.8632","0.0002","90","","95.477","0.001","90","","4140.49","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 F6 N4 O5 Yb -","- C47 H35 F6 N4 O5 Yb -","- C188 H140 F24 N16 O20 Yb4 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","1.54184","CuKα","","0.0394","0.0325","","","0.0843","0.0902","","","","","","1.087","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705841","24.5151","0.0006","9.779","0.0003","19.4887","0.0004","90","","101.209","0.002","90","","4583","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 F9 Gd N4 O7 -","- C49 H36 F9 Gd N4 O7 -","- C196 H144 F36 Gd4 N16 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","1.54184","CuKα","","0.1339","0.1011","","","0.2623","0.3024","","","","","","0.984","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705842","24.6107","0.0004","9.7759","0.0002","19.0276","0.0003","90","","100.458","0.002","90","","4501.84","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 F9 N4 Nd O7 -","- C49 H36 F9 N4 Nd O7 -","- C196 H144 F36 N16 Nd4 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","1.54184","CuKα","","0.0958","0.0789","","","0.2314","0.2544","","","","","","1.093","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705843","24.426","0.004","9.7184","0.0017","19.499","0.003","90","","101.484","0.003","90","","4536","1.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 Eu F9 N4 O7 -","- C49 H36 Eu F9 N4 O7 -","- C196 H144 Eu4 F36 N16 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","0.71073","MoKα","","0.1513","0.063","","","0.1341","0.1528","","","","","","0.864","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705844","29.676","0.004","30.709","0.004","29.725","0.004","90","","91.83","0.002","90","","27075","6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C195.5 H331 Cl7 N24 O78 P2 W22 Y2 -","- C176 H286 N23 O78 P2 W22 Y2 -","- C704 H1144 N92 O312 P8 W88 Y8 -","4","1","","Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Nichol, Gary S.; Brechin, Euan K.; Kögerler, Paul","Phthalocyanine-polyoxotungstate lanthanide double deckers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16638","16642","10.1039/d0dt03716h","","x-ray","0.6889","Synchrotron","","0.1264","0.0869","","","0.2095","0.2344","","","","","","1.028","","","","has coordinates,has disorder","259684","2020-12-09","03:03:50",""
"7705845","22.5917","0.0014","21.7413","0.0012","26.2648","0.0015","90","","95.355","0.001","90","","12844.3","1.3","100.15","","100.15","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C82 H134 Cl12 N12 O39 P Tb W11 -","- C76 H119.5 N12 O39 P Tb W11 -","- C304 H478 N48 O156 P4 Tb4 W44 -","4","0.5","","Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Nichol, Gary S.; Brechin, Euan K.; Kögerler, Paul","Phthalocyanine-polyoxotungstate lanthanide double deckers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16638","16642","10.1039/d0dt03716h","","x-ray","0.6889","Synchrotron","","0.0595","0.0509","","","0.147","0.1507","","","","","","1.11","","","","has coordinates,has disorder","259684","2020-12-09","03:03:50",""
"7705846","9.7754","0.0001","37.378","0.0003","10.9994","0.0001","90","","115.013","0.001","90","","3642.08","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cu I N2 P2 -","- C41 H36 Cu I N2 P2 -","- C164 H144 Cu4 I4 N8 P8 -","4","1","","Kondo, Sae; Yoshimura, Nobutaka; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Vapochromic luminescence of a spin-coated copper(I) complex thin film by the direct coordination of vapour molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16946","16953","10.1039/d0dt03167d","","x-ray","1.54184","CuKα","","0.0264","0.0256","","","0.0678","0.0683","","","","","","1.046","","","","has coordinates","259685","2020-12-09","03:04:37",""
"7705847","9.8484","0.0002","10.46","0.0002","19.4312","0.0004","82.078","0.001","85.532","0.002","63.583","0.002","1775.26","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 Cu I N P2 -","- C41 H35 Cu I N P2 -","- C82 H70 Cu2 I2 N2 P4 -","2","1","","Kondo, Sae; Yoshimura, Nobutaka; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Vapochromic luminescence of a spin-coated copper(I) complex thin film by the direct coordination of vapour molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16946","16953","10.1039/d0dt03167d","","x-ray","1.54184","CuKα","","0.0312","0.0308","","","0.1286","0.1292","","","","","","1.151","","","","has coordinates","259685","2020-12-09","03:04:43",""
"7705848","37.553","0.002","13.528","0.0002","28.951","0.0017","90","","137.663","0.011","90","","9905","2","118","0.14","118","0.14","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C108 H108 Cl2 Ga2 K2 N22 O12 -","- C108 H108 Cl2 Ga2 K2 N22 O12 -","- C432 H432 Cl8 Ga8 K8 N88 O48 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.","Reaction of Ga<sup>III</sup>ClPc, Sn<sup>IV</sup>Cl<sub>2</sub>TPP and B<sup>III</sup>ClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16801","16812","10.1039/d0dt03404e","","x-ray","0.71073","MoKα","","0.0552","0.0477","","","0.1259","0.1317","","","","","","1.083","","","","has coordinates,has disorder","259686","2020-12-09","03:05:55",""
"7705849","13.0694","0.0003","23.4397","0.0006","18.9431","0.0004","90","","94.49","0.002","90","","5785.3","0.2","124","7","124","7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 K N9 O6 Sn -","- C65 H64 K N9 O6 Sn -","- C260 H256 K4 N36 O24 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.","Reaction of Ga<sup>III</sup>ClPc, Sn<sup>IV</sup>Cl<sub>2</sub>TPP and B<sup>III</sup>ClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16801","16812","10.1039/d0dt03404e","","x-ray","0.71073","MoKα","","0.0522","0.0357","","","0.0687","0.0742","","","","","","1.027","","","","has coordinates,has disorder","259686","2020-12-09","03:05:58",""
"7705850","14.439","0.0002","15.2417","0.0003","25.1736","0.0006","97.018","0.002","91.803","0.002","104.868","0.002","5303.07","0.19","124","7","124","7","","","","","","","","7","P -1","-P 1","2","","","","- C108 H114 B2 Cl6 K2 N22 O12 -","- C102 H110 B2 Cl4 K2 N22 O12 -","- C204 H220 B4 Cl8 K4 N44 O24 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.","Reaction of Ga<sup>III</sup>ClPc, Sn<sup>IV</sup>Cl<sub>2</sub>TPP and B<sup>III</sup>ClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16801","16812","10.1039/d0dt03404e","","x-ray","0.71073","MoKα","","0.1097","0.0795","","","0.2243","0.2494","","","","","","1.015","","","","has coordinates,has disorder","259686","2020-12-09","03:06:07",""
"7705851","15.3009","0.0004","15.9126","0.0003","16.7557","0.0004","114.303","0.002","91.265","0.0019","97.977","0.0018","3667.92","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C137 H150 B2 F48 N2 P4 Rh2 -","- C137 H150 B2 F48 N2 P4 Rh2 -","- C137 H150 B2 F48 N2 P4 Rh2 -","1","0.5","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0798","0.0613","","","0.1628","0.1781","","","","","","1.037","","","","has coordinates,has disorder","259687","2020-12-09","03:07:54",""
"7705852","18.53479","0.00012","20.42808","0.00012","40.2348","0.0003","90","","90","","90","","15234.1","0.18","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H85 B F24 N P2 Rh -","- C73 H85 B F24 N P2 Rh -","- C584 H680 B8 F192 N8 P16 Rh8 -","8","2","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0743","0.0679","","","0.1778","0.1871","","","","","","1.025","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705853","22.1438","0.0006","13.3315","0.0003","26.4445","0.0008","90","","114.03","0.003","90","","7130.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H75 B F24 N P2 Rh -","- C67 H75 B F24 N P2 Rh -","- C268 H300 B4 F96 N4 P8 Rh4 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0983","0.0795","","","0.222","0.2494","","","","","","1.068","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705854","17.9713","0.0004","15.8991","0.0003","25.1382","0.0005","90","","92.814","0.002","90","","7174","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H79 B F24 N P2 Rh -","- C68 H79 B F24 N P2 Rh -","- C272 H316 B4 F96 N4 P8 Rh4 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0844","0.0689","","","0.1888","0.1968","","","","","","1.059","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705855","26.2257","0.0001","18.1905","0.0001","15.8286","0.0001","90","","90","","90","","7551.17","0.07","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C71 H81 B F24 N O2 P2 Rh -","- C71 H81 B F24 N O2 P2 Rh -","- C284 H324 B4 F96 N4 O8 P8 Rh4 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0864","0.0881","","","","","","1.023","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705856","23.8941","0.0005","16.1966","0.0004","37.3543","0.0008","90","","112.179","0.003","90","","13386.6","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C130 H142 B2 F48 N2 P4 Rh2 -","- C130 H142 B2 F48 N2 P4 Rh2 -","- C520 H568 B8 F192 N8 P16 Rh8 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.1978","0.1755","","","0.3729","0.3884","","","","","","1.079","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705857","11.4596","0.0009","17.1621","0.0013","13.4942","0.001","90","","112.624","0.002","90","","2449.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dichlorobicyclo[1.1.0]tetrasilane","","- C32 H80 Cl2 Si12 -","- C32 H80 Cl2 Si12 -","- C64 H160 Cl4 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","Interconversion between a planar 1,3-dichlorobicyclo[1.1.0]tetrasilane and a (chloro)(chlorosilyl)cyclotrisilene.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16728","16735","10.1039/d0dt03408h","","","0.71073","MoKα","","0.0896","0.0661","","","0.1531","0.1657","","","","","","1.079","","","","has coordinates","259688","2020-12-09","03:08:59",""
"7705858","13.5086","0.0003","15.0599","0.0004","16.6833","0.0004","89.364","0.001","85.209","0.001","76.743","0.001","3291.92","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(chloro)(chlorosilyl)cyclotrisilene-DMAP","","- C51 H102 Cl2 N2 Si12 -","- C51 H102 Cl2 N2 Si12 -","- C102 H204 Cl4 N4 Si24 -","2","1","","Nukazawa, Takumi; Iwamoto, Takeaki","Interconversion between a planar 1,3-dichlorobicyclo[1.1.0]tetrasilane and a (chloro)(chlorosilyl)cyclotrisilene.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16728","16735","10.1039/d0dt03408h","","","0.71073","MoKα","","0.0521","0.0356","","","0.0802","0.0887","","","","","","1.015","","","","has coordinates,has disorder","259688","2020-12-09","03:08:59",""
"7705859","15.2371","0.0001","15.2371","0.0001","155.7837","0.0009","90","","90","","120","","31322.6","0.3","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0588","0.0502","","","0.1399","0.1471","","","","","","1.02","","","","has coordinates,has disorder","259689","2020-12-09","03:10:15",""
"7705860","15.1802","0.0002","15.1802","0.0002","155.6425","0.0013","90","","90","","120","","31060.9","0.6","123","","123","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0603","0.0578","","","0.1636","0.1665","","","","","","1.052","","","","has coordinates,has disorder","259689","2020-12-09","03:10:16",""
"7705861","15.2841","0.0001","15.2841","0.0001","155.7874","0.0009","90","","90","","120","","31516.8","0.3","223","","223","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0464","0.042","","","0.1227","0.1273","","","","","","1.052","","","","has coordinates,has disorder","259689","2020-12-09","03:10:16",""
"7705862","11.1053","0.0007","13.1355","0.0008","20.3905","0.001","85.224","0.004","86.838","0.004","66.436","0.006","2716.2","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 Cl2 N2 P4 Zr -","- C60 H52 Cl2 N2 P4 Zr -","- C120 H104 Cl4 N4 P8 Zr2 -","2","1","","Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16653","16656","10.1039/d0dt03544k","","","1.5418","CuKα","","0.0562","0.0446","","0.1274","0.1134","0.1274","","","","","","1.617","","","","has coordinates","259690","2020-12-09","03:11:09",""
"7705863","10.70733","0.00003","10.84431","0.00003","14.74442","0.00003","94.396","0.004","105.416","0.004","114.647","0.004","1465.32","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Li N O P2 -","- C34 H34 Li N O P2 -","- C68 H68 Li2 N2 O2 P4 -","2","1","","Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16653","16656","10.1039/d0dt03544k","","","1.5418","CuKα","","0.0566","0.0433","","0.1005","0.085","0.1005","","","","","","1.459","","","","has coordinates","259690","2020-12-09","03:11:10",""
"7705864","11.07535","0.00003","13.14605","0.00003","20.39291","0.00004","84.873","0.004","86.804","0.005","66.482","0.005","2710.97","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 Cl2 Hf N2 P4 -","- C60 H52 Cl2 Hf N2 P4 -","- C120 H104 Cl4 Hf2 N4 P8 -","2","1","","Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16653","16656","10.1039/d0dt03544k","","","1.5418","CuKα","","0.1028","0.0759","","0.2571","0.2129","0.2571","","","","","","1.5867","","","","has coordinates,has disorder","259690","2020-12-09","03:11:10",""
"7705865","10.7947","0.0001","10.7947","0.0001","49.2881","0.0007","90","","90","","90","","5743.32","0.11","103","","103","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C31 H24.5 Br2 Mn N2.5 O4 -","- C31 H24.5 Br2 Mn N2.5 O4 -","- C248 H196 Br16 Mn8 N20 O32 -","8","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.067","0.0472","","","0.0794","0.0845","","","","","","1.087","","","","has coordinates","259691","2020-12-09","03:12:12",""
"7705866","10.7928","0.0003","10.7928","0.0003","49.2053","0.0011","90","","90","","90","","5731.7","0.3","103","","103","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C31 H24.5 Br2 Mn N2.5 O4 -","- C31 H24.5 Br2 Mn N2.5 O4 -","- C248 H196 Br16 Mn8 N20 O32 -","8","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.1819","0.0749","","","0.1182","0.1451","","","","","","1.005","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705867","6.542","0.0002","17.0906","0.0004","11.7543","0.0003","90","","103.659","0.003","90","","1277.04","0.06","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 F2 Mn N2 O4.5 -","- C30 H23 F2 Mn N2 O4.5 -","- C60 H46 F4 Mn2 N4 O9 -","2","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0311","0.0298","","","0.0716","0.0723","","","","","","1.054","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705868","6.5321","0.0004","17.0704","0.0007","11.7309","0.0008","90","","103.224","0.006","90","","1273.37","0.13","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 F2 Mn N2 O4.5 -","- C30 H23 F2 Mn N2 O4.5 -","- C60 H46 F4 Mn2 N4 O9 -","2","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0889","0.0535","","","0.0901","0.1008","","","","","","0.999","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705869","6.5703","0.0002","17.9817","0.0004","45.3393","0.0013","90","","90","","90","","5356.6","0.3","103","","103","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C240 H184 Cl16 Mn8 N16 O34.8 -","4","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.1266","0.0696","","","0.1095","0.1271","","","","","","0.999","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705870","6.5753","0.0001","17.9896","0.0004","45.3418","0.0007","90","","90","","90","","5363.35","0.17","103","","103","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C240 H184 Cl16 Mn8 N16 O34.8 -","4","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0514","0.0391","","","0.0794","0.0838","","","","","","1.047","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705871","11.226","0.002","6.4276","0.0013","11.494","0.002","90","","99.141","0.006","90","","818.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 Si2 -","- C14 H18 O3 Si2 -","- C28 H36 O6 Si4 -","2","1","","Shankar, Ravi; Mahavar, Nidhi","A catalytic study of water dispersed gold nanoparticles for the hydrolytic oxidation of diorganosilanes - <i>en route</i> formation of a Pickering catalyst and synthesis of tetraorganodisiloxane-1,3-diols.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16633","16637","10.1039/d0dt03252b","","","0.71073","MoKα","","0.0877","0.0582","","","0.1363","0.1546","","","","","","1.201","","","","has coordinates,has disorder","259692","2020-12-09","03:13:41",""
"7705872","12.8568","0.0007","6.6114","0.0003","21.776","0.0011","90","","102.749","0.002","90","","1805.36","0.16","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 O3 Si2 -","- C14 H30 O3 Si2 -","- C56 H120 O12 Si8 -","4","1","","Shankar, Ravi; Mahavar, Nidhi","A catalytic study of water dispersed gold nanoparticles for the hydrolytic oxidation of diorganosilanes - <i>en route</i> formation of a Pickering catalyst and synthesis of tetraorganodisiloxane-1,3-diols.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16633","16637","10.1039/d0dt03252b","","","0.71073","MoKα","","0.0685","0.0479","","","0.1213","0.1388","","","","","","1.08","","","","has coordinates,has disorder","259692","2020-12-09","03:13:42",""
"7705873","13.4751","0.0008","14.2528","0.0009","20.2962","0.0014","98.906","0.002","99.541","0.002","113.364","0.002","3422.6","0.4","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O3 Si2 -","- C24 H22 O3 Si2 -","- C144 H132 O18 Si12 -","6","3","","Shankar, Ravi; Mahavar, Nidhi","A catalytic study of water dispersed gold nanoparticles for the hydrolytic oxidation of diorganosilanes - <i>en route</i> formation of a Pickering catalyst and synthesis of tetraorganodisiloxane-1,3-diols.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16633","16637","10.1039/d0dt03252b","","","0.71073","MoKα","","0.0687","0.0479","","","0.1257","0.1452","","","","","","1.043","","","","has coordinates,has disorder","259692","2020-12-09","03:13:42",""
"7705874","7.7465","0.0006","13.5915","0.0009","16.9107","0.0011","90","","90","","90","","1780.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Cl4 N2 Pb -","- C6 H16 Cl4 N2 Pb -","- C24 H64 Cl16 N8 Pb4 -","4","1","","Yu, Shan-Shan; Zhao, Hai-Rong; Zhang, Hui; Duan, Hai-Bao","Two chiral haloplumbate hybrids with thermochromism luminescence and application potential as luminescent thermometers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16643","16648","10.1039/d0dt02261f","","x-ray","0.71073","MoKα","","0.0679","0.0641","","","0.1431","0.1477","","","","","","1.11","","","","has coordinates","259693","2020-12-09","03:14:27",""
"7705875","11.8","0.0005","11.7153","0.0005","9.952","0.0005","90","","90","","90","","1375.77","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C24 H64 Br16 N8 Pb4 -","4","1","","Yu, Shan-Shan; Zhao, Hai-Rong; Zhang, Hui; Duan, Hai-Bao","Two chiral haloplumbate hybrids with thermochromism luminescence and application potential as luminescent thermometers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16643","16648","10.1039/d0dt02261f","","x-ray","0.71073","MoKα","","0.0446","0.042","","","0.1062","0.1079","","","","","","1.131","","","","has coordinates","259693","2020-12-09","03:14:27",""
"7705876","11.3865","0.0004","14.9295","0.0005","18.3394","0.0006","77.595","0.001","84.106","0.001","77.856","0.001","2971.28","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H44 Cl2 F6 N7 O8 P Ru -","- C50 H44 Cl2 F6 N7 O8 P Ru -","- C100 H88 Cl4 F12 N14 O16 P2 Ru2 -","2","1","","Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.","Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16935","16945","10.1039/d0dt03564e","","x-ray","0.71073","MoKα","","0.0812","0.0613","","","0.1412","0.151","","","","","","1.029","","","","has coordinates","259694","2020-12-09","03:15:24",""
"7705877","16.43","0.0007","17.9246","0.0009","19.3808","0.0007","83.218","0.002","85.892","0.002","79.659","0.002","5568.2","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H42 Cl9 F6 N6 O4 P Ru -","- C51 H42 Cl9 F6 N6 O4 P Ru -","- C204 H168 Cl36 F24 N24 O16 P4 Ru4 -","4","2","","Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.","Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16935","16945","10.1039/d0dt03564e","","","0.71073","MoKα","","0.1621","0.0841","","","0.1862","0.2179","","","","","","0.983","","","","has coordinates,has disorder","259694","2020-12-09","03:15:24",""
"7705878","53.215","0.003","12.7933","0.0006","21.3714","0.0009","90","","102.394","0.0015","90","","14210.5","1.2","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5 -","- C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5 -","- C572 H460 Cl16 F72 N72 O96 P12 Ru12 -","8","1","","Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.","Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16935","16945","10.1039/d0dt03564e","","x-ray","0.71073","MoKα","","0.0811","0.0735","","","0.1573","0.161","","","","","","1.19","","","","has coordinates,has disorder","259694","2020-12-09","03:15:24",""
"7705879","14.832","0.0003","16.1866","0.0003","16.9537","0.0004","93.051","0.002","104.841","0.002","103.502","0.002","3797.95","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C130 H134 Co6 N58 O30 S8 -","- C130 H134 Co6 N58 O30 S8 -","- C130 H134 Co6 N58 O30 S8 -","1","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","x-ray","1.54184","CuKα","","0.0942","0.0856","","","0.2157","0.2226","","","","","","1.031","","","","has coordinates,has disorder","259695","2020-12-09","03:16:28",""
"7705880","12.4689","0.0001","14.2132","0.0001","19.8528","0.0002","90","","95.618","0.001","90","","3501.47","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Co3 N28 O19 -","- C60 H74 Co3 N28 O19 -","- C120 H148 Co6 N56 O38 -","2","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","x-ray","1.54184","CuKα","","0.0482","0.0446","","","0.1206","0.123","","","","","","1.041","","","","has coordinates,has disorder","259695","2020-12-09","03:16:31",""
"7705881","15.3105","0.0003","15.6182","0.0003","16.7603","0.0004","91.46","0.002","105.601","0.002","101.919","0.002","3762.9","0.15","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C134 H138 Co6 N66 O32 -","- C134 H138 Co6 N66 O32 -","- C134 H138 Co6 N66 O32 -","1","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","x-ray","0.71073","MoKα","","0.0698","0.0437","","","0.102","0.1117","","","","","","1.036","","","","has coordinates,has disorder","259695","2020-12-09","03:16:41",""
"7705882","9.3778","0.0009","12.6936","0.0011","13.7782","0.0013","89.076","0.004","83.116","0.004","81.505","0.004","1610.4","0.3","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Co3 N28 O16 -","- C56 H60 Co3 N28 O16 -","- C56 H60 Co3 N28 O16 -","1","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","","0.71073","MoKα","","0.0447","0.0347","","","0.0817","0.0857","","","","","","1.054","","","","has coordinates","259695","2020-12-09","03:16:50",""
"7705886","9.6188","0.0011","11.9263","0.0014","12.2365","0.0013","77.662","0.004","71.146","0.005","69.041","0.004","1232.9","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Br2 N5 Pd -","- C25 H21 Br2 N5 Pd -","- C50 H42 Br4 N10 Pd2 -","2","1","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.0947","0.0856","","","0.1916","0.196","","","","","","1.23","","","","has coordinates","259697","2020-12-09","03:19:07",""
"7705887","9.6026","0.0009","12.302","0.0013","13.6024","0.0015","100.477","0.005","109.614","0.004","110.59","0.005","1332.5","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Cl N4 Ru -","- C30 H29 Cl N4 Ru -","- C60 H58 Cl2 N8 Ru2 -","2","1","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.101","0.0782","","","0.1674","0.1764","","","","","","1.107","","","","has coordinates","259697","2020-12-09","03:19:08",""
"7705888","9.9976","0.0009","11.8767","0.0012","13.6237","0.0014","98.645","0.004","96.039","0.005","110.163","0.004","1479.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl3 Ir N4 -","- C30 H32 Cl3 Ir N4 -","- C60 H64 Cl6 Ir2 N8 -","2","1","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.076","0.0576","","","0.1","0.1045","","","","","","1.188","","","","has coordinates","259697","2020-12-09","03:19:08",""
"7705889","13.6235","0.001","15.9331","0.0013","21.356","0.0018","69.077","0.003","83.636","0.004","88.592","0.003","4302.7","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H92 Cl5 N12 Rh3 -","- C91 H92 Cl5 N12 Rh3 -","- C182 H184 Cl10 N24 Rh6 -","2","1","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.1555","0.1","","","0.2201","0.2431","","","","","","1.127","","","","has coordinates","259697","2020-12-09","03:19:08",""
"7705890","13.7","0.003","15.904","0.004","21.409","0.006","69.083","0.012","83.451","0.012","88.89","0.013","4327.7","1.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl Ir N4 -","- C30 H30 Cl Ir N4 -","- C180 H180 Cl6 Ir6 N24 -","6","3","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.1063","0.0755","","","0.1519","0.1633","","","","","","1.134","","","","has coordinates","259697","2020-12-09","03:19:08",""
"7705891","18.2445","0.0006","19.9956","0.0007","24.4742","0.0006","93.078","0.002","99.426","0.002","116.645","0.003","7790.2","0.5","186","2","186","2","","","","","","","","7","P -1","-P 1","2","","","","- Dy3 K5 Na5.34 Ni O139.78 Sb3 W30 -","- Dy3 K5 Na5.3333 Ni O139.773 Sb3 W30 -","- Dy6 K10 Na10.6666 Ni2 O279.547 Sb6 W60 -","2","1","","Cai, Jing; Ye, Run; Liu, Xinhao; Guo, Leilei; Qiao, Xinrong","Ionic strength effect on regulating the synthetic assembly of polyoxometalate clusters with slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16954","16961","10.1039/d0dt02409k","","","0.71073","MoKα","","0.1293","0.0832","","","0.1928","0.2263","","","","","","1.002","","","","has coordinates","259698","2020-12-09","03:20:42",""
"7705892","17.8033","0.0014","18.5672","0.0016","14.166","0.0012","90","","113.239","0.009","90","","4302.8","0.7","178.3","0.6","178.3","0.6","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ni0.21 O9.26 Sb0.21 W2.11 -","- Ni0.210526 O9.26316 Sb0.210526 W2.10526 -","- Ni4 O176 Sb4 W40 -","19","2.375","","Cai, Jing; Ye, Run; Liu, Xinhao; Guo, Leilei; Qiao, Xinrong","Ionic strength effect on regulating the synthetic assembly of polyoxometalate clusters with slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16954","16961","10.1039/d0dt02409k","","","0.71073","MoKα","","0.0814","0.0678","","","0.1689","0.1788","","","","","","1.088","","","","has coordinates","259698","2020-12-09","03:20:42",""
"7705893","35.159","0.003","18.5597","0.0007","48.357","0.003","90","","114.193","0.009","90","","28783","4","191","2","191","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Dy3 K4 Na4.75 O138.33 Sb3 W31 -","- Dy3 K4 Na4.75 O138.333 Sb4 W30 -","- Dy24 K32 Na38 O1106.67 Sb32 W240 -","8","1","","Cai, Jing; Ye, Run; Liu, Xinhao; Guo, Leilei; Qiao, Xinrong","Ionic strength effect on regulating the synthetic assembly of polyoxometalate clusters with slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16954","16961","10.1039/d0dt02409k","","","0.71073","MoKα","","0.1583","0.1059","","","0.2022","0.2298","","","","","","1.086","","","","has coordinates","259698","2020-12-09","03:20:42",""
"7705894","6.9554","0.0002","22.6284","0.0006","13.8537","0.0003","90","","91.584","0.002","90","","2179.59","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 N6 O12 Pb -","- C12 H24 N6 O12 Pb -","- C48 H96 N24 O48 Pb4 -","4","1","","Jiang, Jia-Ying; Xu, Qi; Ma, Jia-Jun; Gong, Zhi-Xin; Shi, Chao; Zhang, Yi","Above room-temperature dielectric switching and semiconducting properties of a layered organic-inorganic hybrid compound: (C<sub>6</sub>H<sub>12</sub>N)<sub>2</sub>Pb(NO<sub>3</sub>)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16860","16865","10.1039/d0dt03206a","","","0.71073","MoKα","","0.0465","0.0297","","","0.0563","0.0597","","","","","","1.005","","","","has coordinates","259699","2020-12-09","03:21:28",""
"7705895","6.8961","0.0009","6.8961","0.0009","23.195","0.01","90","","90","","90","","1103.1","0.5","373","2","373","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C12 H24 N6 O12 Pb -","- C12 H24 N6 O12 Pb -","- C24 H48 N12 O24 Pb2 -","2","0.0625","","Jiang, Jia-Ying; Xu, Qi; Ma, Jia-Jun; Gong, Zhi-Xin; Shi, Chao; Zhang, Yi","Above room-temperature dielectric switching and semiconducting properties of a layered organic-inorganic hybrid compound: (C<sub>6</sub>H<sub>12</sub>N)<sub>2</sub>Pb(NO<sub>3</sub>)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16860","16865","10.1039/d0dt03206a","","","0.71073","MoKα","","0.0623","0.0516","","","0.1092","0.1132","","","","","","1.259","","","","has coordinates,has disorder","259699","2020-12-09","03:21:29",""
"7705896","10.8887","0.0008","11.0302","0.0008","16.9783","0.0013","82.785","0.003","80.434","0.003","66.001","0.002","1833.2","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Co2 N4 O9 S2 -","- C31 H38 Co2 N4 O9 S2 -","- C62 H76 Co4 N8 O18 S4 -","2","1","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J; Benmansour, Samia; Chattopadhyay, Shouvik","Field-induced single molecule magnet behavior of a dinuclear cobalt(II) complex: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16778","16790","10.1039/d0dt02158j","","","0.71073","MoKα","","0.0672","0.0453","","","0.131","0.1577","","","","","","1.12","","","","has coordinates,has disorder","259700","2020-12-09","03:22:10",""
"7705897","11.223","0.011","20.076","0.019","17.196","0.017","90","","102.05","0.03","90","","3789","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Co2 N4 O9 S2 -","- C33 H42 Co2 N4 O9 S2 -","- C132 H168 Co8 N16 O36 S8 -","4","1","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J; Benmansour, Samia; Chattopadhyay, Shouvik","Field-induced single molecule magnet behavior of a dinuclear cobalt(II) complex: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16778","16790","10.1039/d0dt02158j","","","0.71073","MoKα","","0.1129","0.0895","","","0.2464","0.2752","","","","","","1.023","","","","has coordinates","259700","2020-12-09","03:22:12",""
"7705898","5.3811","0.0002","16.1944","0.0006","8.2691","0.0004","90","","98.5","0.002","90","","712.68","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 -","- C7 H8 N4 -","- C28 H32 N16 -","4","1","","Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju","Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17005","17016","10.1039/d0dt02589e","","","0.71073","MoKα","","0.0502","0.0463","","","0.1237","0.1262","","","","","","1.08","","","","has coordinates","259702","2020-12-09","03:23:11",""
"7705899","16.1359","0.0006","9.8928","0.0003","17.8077","0.0006","90","","111.927","0.001","90","","2636.99","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 B2 F8 N12 Zn -","- C21 H24 B2 F8 N12 Zn -","- C84 H96 B8 F32 N48 Zn4 -","4","0.5","","Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju","Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17005","17016","10.1039/d0dt02589e","","","0.71073","MoKα","","0.0775","0.0467","","","0.0959","0.1047","","","","","","1.069","","","","has coordinates","259702","2020-12-09","03:23:11",""
"7705900","20.872","0.0005","14.6735","0.0003","17.4832","0.0004","90","","114.272","0.001","90","","4881.18","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H104 N32 O44 S6 Zn6 -","- C56 H104 N32 O44 S6 Zn6 -","- C112 H208 N64 O88 S12 Zn12 -","2","0.5","","Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju","Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17005","17016","10.1039/d0dt02589e","","","0.71073","MoKα","","0.0928","0.052","","","0.1278","0.1563","","","","","","1.051","","","","has coordinates,has disorder","259702","2020-12-09","03:23:11",""
"7705901","7.8409","0.0004","12.863","0.0006","20.4373","0.001","88.1321","0.0011","89.0043","0.0011","79.0659","0.001","2022.63","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Cl2 Co N4 O8 -","- C48 H32 Cl2 Co N4 O8 -","- C96 H64 Cl4 Co2 N8 O16 -","2","1","","Wu, Chen-Ming; Tsai, Jae-En; Lee, Gene-Hsiang; Yang, En-Che","Slow magnetization relaxation in a tetrahedrally coordinated mononuclear Co(II) complex exclusively ligated with phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16813","16820","10.1039/d0dt03481a","","","0.71073","MoKα","","0.0595","0.048","","","0.1153","0.1225","","","","","","1.042","","","","has coordinates","259703","2020-12-09","03:23:44",""
"7705904","15.619","0.011","15.619","0.011","18.827","0.013","90","","90","","90","","4593","6","130","","130","","","","","","","","","5","I 4/m","-I 4","87","","","","- C78 H100 Ca4 N14 O27 -","- C78 H100 Ca4 N14 O27 -","- C156 H200 Ca8 N28 O54 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0861","0.0658","","0.1075","0.1048","0.1048","","","","","","0.9999","","","","has coordinates,has disorder","259705","2020-12-09","03:27:32",""
"7705905","16.8066","0.0005","16.8066","0.0005","17.7945","0.0007","90","","90","","90","","5026.3","0.3","120","","120","","","","","","","","","6","I 4/m","-I 4","87","","","","- C168 H231.99 Cl6 N40 O56 Sr11 -","- C168 H232 Cl6 N40 O56 Sr11 -","- C168 H232 Cl6 N40 O56 Sr11 -","1","0.0625","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0416","0.0416","","0.0683","0.0683","0.0683","","","","","","0.9999","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705906","16.617","0.002","16.617","0.002","17.448","0.003","90","","90","","90","","4817.8","1.2","130","","130","","","","","","","","","5","I 4/m","-I 4","87","","","","- C63 H79 Ca4 N13 O27 -","- C63 H79 Ca4 N13 O27 -","- C126 H158 Ca8 N26 O54 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0707","0.0533","","0.1101","0.1092","0.1092","","","","","","1","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705907","22.746","0.008","8.433","0.003","22.517","0.008","90","","118.288","0.005","90","","3803","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Ba2 N6 O12 -","- C36 H42 Ba2 N6 O12 -","- C144 H168 Ba8 N24 O48 -","4","1","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0685","0.0638","","0.1076","0.1075","0.1075","","","","","","1","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705908","13.028","0.01","18.865","0.014","13.91","0.01","90","","93.925","0.017","90","","3411","4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H130 Mg8 N24 O45 -","- C120 H130 Mg8 N24 O45 -","- C120 H130 Mg8 N24 O45 -","1","0.25","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.101","0.0566","","0.0814","0.0716","0.0716","","","","","","1","","","","has coordinates,has disorder","259705","2020-12-09","03:27:33",""
"7705909","21.096","0.005","12.176","0.003","14.196","0.003","90","","95.269","0.006","90","","3631","1.5","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N5 O12 Sr2 -","- C33 H37 N5 O12 Sr2 -","- C132 H148 N20 O48 Sr8 -","4","1","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.088","0.0564","","0.0931","0.0873","0.0873","","","","","","1","","","","has coordinates,has disorder","259705","2020-12-09","03:27:33",""
"7705910","42.0581","0.0014","42.0581","0.0014","42.0581","0.0014","90","","90","","90","","74396","4","130","","130","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C528 H540 N128 O183 Sr24 -","- C527.995 H540 N128.003 O183 Sr24 -","- C2111.98 H2160 N512.013 O732 Sr96 -","4","0.0208333","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0441","0.0304","","0.0676","0.0652","0.0652","","","","","","1","","","","has coordinates,has disorder","259705","2020-12-09","03:27:33",""
"7705911","16.604","0.003","16.604","0.003","18.804","0.004","90","","90","","90","","5184.1","1.7","130","","130","","","","","","","","","6","I 4/m","-I 4","87","","","","- C69 H73 Ba5 Cl3 N15 O29 -","- C69 H73 Ba5 Cl3 N15 O29 -","- C138 H146 Ba10 Cl6 N30 O58 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0787","0.0413","","0.0836","0.0787","0.0787","","","","","","0.9472","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705912","13.013","0.0007","17.086","0.0006","30.331","0.0015","90","","101.891","0.004","90","","6599.1","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 F18 Mn2 N10 O16.75 -","- C51 H60 F18 Mn2 N10 O16.75 -","- C204 H240 F72 Mn8 N40 O67 -","4","0.5","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","0.71073","MoKα","","0.107","0.0663","","","0.1488","0.1753","","","","","","1.006","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705913","18.0444","0.0015","13.4321","0.0011","25.498","0.002","90","","100.226","0.002","90","","6081.9","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 F18 N10 Ni2 O16 -","- C44 H52 F18 N10 Ni2 O16 -","- C176 H208 F72 N40 Ni8 O64 -","4","0.5","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","0.71073","MoKα","","0.0625","0.0482","","","0.1214","0.1313","","","","","","0.989","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705914","16.188","0.005","19.63","0.006","25.31","0.008","90","","95.494","0.006","90","","8006","4","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 F12 Mn N5 O10 -","- C29 H37 F12 Mn N5 O10 -","- C232 H296 F96 Mn8 N40 O80 -","8","1","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","0.71073","MoKα","","0.1895","0.0795","","","0.217","0.2661","","","","","","0.897","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705915","11.4322","0.0004","11.5053","0.0004","17.7893","0.0006","71.618","0.002","76.511","0.002","75.461","0.002","2118.89","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H37 Cl2 F12 Mn N5 O9 -","- C30 H37 Cl1.9998 F12 Mn N5 O9 -","- C60 H74 Cl3.9996 F24 Mn2 N10 O18 -","2","1","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","1.54178","CuKα","","0.0546","0.0487","","","0.142","0.146","","","","","","1.096","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705916","13.1606","0.0005","17.1459","0.0006","30.5349","0.0012","90","","101.112","0.002","90","","6761","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 F18 Mn2 N10 O16 -","- C51 H60 F18 Mn2 N10 O16 -","- C204 H240 F72 Mn8 N40 O64 -","4","0.5","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","1.54178","CuKα","","0.0714","0.0581","","","0.1625","0.1702","","","","","","1.06","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705919","11.9932","0.0003","32.6022","0.0008","13.3067","0.0003","90","","113.752","0.001","90","","4762.3","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 Cl3 Fe2 N6 O22 -","- C35 H57 Cl3 Fe2 N6 O22 -","- C140 H228 Cl12 Fe8 N24 O88 -","4","1","","Trehoux, Alexandre; Guillot, Régis; Clemancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Mahy, Jean-Pierre; Avenier, Frédéric","Bioinspired symmetrical and unsymmetrical diiron complexes for selective oxidation catalysis with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16657","16661","10.1039/d0dt03308a","","","0.71073","MoKα","","0.1091","0.0586","","","0.1406","0.1702","","","","","","1.014","","","","has coordinates,has disorder","259708","2020-12-09","03:31:46",""
"7705920","28.7372","0.0012","12.3704","0.0005","19.2633","0.0007","90","","109.384","0.001","90","","6459.8","0.4","100","1","100","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C41 H64 Cl4 Fe2 N6 O26 -","- C41 H64 Cl4 Fe2 N6 O25.875 -","- C164 H256 Cl16 Fe8 N24 O103.5 -","4","0.5","","Trehoux, Alexandre; Guillot, Régis; Clemancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Mahy, Jean-Pierre; Avenier, Frédéric","Bioinspired symmetrical and unsymmetrical diiron complexes for selective oxidation catalysis with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16657","16661","10.1039/d0dt03308a","","","0.71073","MoKα","","0.1075","0.093","","","0.2774","0.2963","","","","","","1.214","","","","has coordinates,has disorder","259708","2020-12-09","03:31:47",""
"7705921","7.1549","0.0006","13.9178","0.0009","16.9211","0.0012","110.138","0.002","100.826","0.003","91.382","0.002","1546.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cu N4 O13 -","- C30 H26 Cu N4 O11 -","- C60 H52 Cu2 N8 O22 -","2","1","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.0791","0.0549","","","0.1243","0.1346","","","","","","1.01","","","","has coordinates","259709","2020-12-09","03:32:57",""
"7705922","32.858","0.003","12.1027","0.001","7.3119","0.0009","90","","94.642","0.004","90","","2898.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N4 O12 Zn -","- C30 H24 N4 O12 Zn -","- C120 H96 N16 O48 Zn4 -","4","0.5","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.0975","0.0743","","","0.175","0.185","","","","","","1.185","","","","has coordinates","259709","2020-12-09","03:32:58",""
"7705923","32.6329","0.0015","12.9695","0.0004","7.2447","0.0003","90","","94.143","0.002","90","","3058.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Co N4 O12 -","- C32 H28 Co N4 O12 -","- C128 H112 Co4 N16 O48 -","4","0.5","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.03","0.0269","","","0.0724","0.074","","","","","","1.065","","","","has coordinates","259709","2020-12-09","03:32:58",""
"7705924","32.856","0.0015","12.115","0.0006","7.2898","0.0003","90","","94.678","0.002","90","","2892","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Co N4 O12 -","- C30 H28 Co N4 O12 -","- C120 H112 Co4 N16 O48 -","4","0.5","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.0343","0.0279","","","0.0662","0.0689","","","","","","1.061","","","","has coordinates","259709","2020-12-09","03:32:58",""
"7705965","10.0448","0.0002","10.1008","0.0002","15.8343","0.0003","89.0946","0.0005","80.4186","0.0005","67.9118","0.0004","1465.95","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[Cp(CO)~2~Mn^1^(μ-η^1^(C~α~):η^1^(C~α~)-C~α~=C~β~HPh)Au]{η^2^-Mn^2^, C~α~-[Cp(CO)~2~Mn^2^-C~α~-C~β~Ph]}","","- C32 H26 Au Mn2 O4.5 -","- C32 H26 Au Mn2 O4.5 -","- C64 H52 Au2 Mn4 O9 -","2","1","","Verpekin, Victor V.; Shor, Aleksey M.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Chudin, Oleg S.; Ivanova-Shor, Elena A","Manganese-gold-manganese complex with vinylidene and acetylide units.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17527","17531","10.1039/d0dt03530k","","","0.71073","MoKα","","0.0506","0.0312","","","0.0663","0.0724","","","","","","1.015","","","","has coordinates","260768","2021-01-07","06:24:08",""
"7706009","27.761","0.003","3.9611","0.0005","15.6659","0.0016","90","","111.098","0.004","90","","1607.2","0.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H11 Hg I N2 O2 S -","- C15 H11 Hg I N2 O2 S -","- C60 H44 Hg4 I4 N8 O8 S4 -","4","1","","Mahmoudi, Ghodrat; Masoudiasl, Ardavan; Babashkina, Maria G.; Frontera, Antonio; Doert, Thomas; White, Jonathan M.; Zangrando, Ennio; Zubkov, Fedor I.; Safin, Damir A.","On the importance of π-hole spodium bonding in tricoordinated Hg<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17547","17551","10.1039/d0dt03938a","","","0.71073","MoKα","","0.0889","0.0506","","","0.0781","0.0886","","","","","","0.915","","","","has coordinates","260759","2021-01-07","06:20:27",""
"7706010","4.5942","0.0001","28.1575","0.0009","13.2262","0.0003","90","","93.104","0.002","90","","1708.45","0.08","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Hg I2 N4 O3 -","- C13 H10 Hg I2 N4 O3 -","- C52 H40 Hg4 I8 N16 O12 -","4","1","","Mahmoudi, Ghodrat; Masoudiasl, Ardavan; Babashkina, Maria G.; Frontera, Antonio; Doert, Thomas; White, Jonathan M.; Zangrando, Ennio; Zubkov, Fedor I.; Safin, Damir A.","On the importance of π-hole spodium bonding in tricoordinated Hg<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17547","17551","10.1039/d0dt03938a","","x-ray","0.71073","MoKα","","0.0574","0.0414","","","0.0988","0.112","","","","","","0.885","","","","has coordinates","260759","2021-01-07","06:20:27",""
"7706013","9.482","0.004","10.595","0.004","13.023","0.005","90.848","0.004","107.188","0.005","96.065","0.005","1241.4","0.8","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H70 Br2 Mn2 O2 Si8 -","- C26 H70 Br2 Mn2 O2 Si8 -","- C26 H70 Br2 Mn2 O2 Si8 -","1","0.5","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.0548","0.0485","","","0.1207","0.1263","","","","","","1.071","","","","has coordinates","260769","2021-01-07","06:24:22",""
"7706014","9.769","0.004","12.962","0.005","14.713","0.005","97.083","0.005","97.254","0.005","108.321","0.005","1728","1.1","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H96 Mn2 N4 Si8 -","- C20 H48 Mn N2 Si4 -","- C40 H96 Mn2 N4 Si8 -","2","1","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.103","0.0714","","","0.1888","0.2151","","","","","","1.029","","","","has coordinates","260769","2021-01-07","06:24:25",""
"7706015","9.82","0.004","9.922","0.004","14.623","0.005","97.082","0.005","98.99","0.004","100.713","0.006","1365.6","0.9","243","","243","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H88 Mn2 O4 Si8 -","- C34 H72 Mn2 O4 Si8 -","- C34 H72 Mn2 O4 Si8 -","1","0.5","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.0826","0.0772","","","0.2115","0.2153","","","","","","1.073","","","","has coordinates","260769","2021-01-07","06:24:34",""
"7706016","10.0789","0.0016","23.499","0.004","18.131","0.003","90","","90.882","0.002","90","","4293.7","1.2","203","","203","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H70 Mn N4 Si4 -","- C32 H70 Mn N4 Si4 -","- C128 H280 Mn4 N16 Si16 -","4","1","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.0792","0.0635","","","0.1638","0.1754","","","","","","1.089","","","","has coordinates","260769","2021-01-07","06:24:34",""
"7706030","3.978","","17.401","","17.742","","90","","90","","90","","1228.12","","","","","","","","","","","","","7","A m m 2","A 2 -2","38","O60 Nb20 V4","Unknown","Unknown","- Ph as e kn n ow un -","- Nb20 O60 V4 -","- Nb20 O60 V4 -","1","0.125","","Caggiu, Laura; Iacomini, Antonio; Pistidda, Claudio; Farina, Valeria; Senes, Nina; Cao, Hujun; Gavini, Elisabetta; Mulas, Gabriele; Garroni, Sebastiano; Enzo, Stefano","<i>In situ</i> synchrotron radiation investigation of V<sub>2</sub>O<sub>5</sub>-Nb<sub>2</sub>O<sub>5</sub> metastable compounds: transformational kinetics at high temperatures with a new structural solution for the orthorhombic V<sub>4</sub>Nb<sub>20</sub>O<sub>60</sub> phase.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17584","17593","10.1039/d0dt03426f","","","","","","514.787","","","1034.88","","","","","0.0524171","","","","","","","has coordinates","260761","2021-01-07","06:20:41",""
"7706059","10.82","0.007","13.44","0.008","15.215","0.009","90","","100.058","0.008","90","","2179","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 In N7 O S2 -","- C14 H22 Cl2 In N7 O S2 -","- C56 H88 Cl8 In4 N28 O4 S8 -","4","1","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","","0.71073","MoKα","","0.062","0.0428","","","0.1114","0.1284","","","","","","1.035","","","","has coordinates","259981","2020-12-19","03:06:02",""
"7706060","9.7761","0.0003","14.2179","0.0006","16.717","0.0011","90","","98.698","0.005","90","","2296.9","0.2","293","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cl2 In N7 O S2 -","- C16 H26 Cl2 In N7 O S2 -","- C64 H104 Cl8 In4 N28 O4 S8 -","4","0.5","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","x-ray","0.71073","MoKα","","0.0661","0.0485","","","0.0966","0.1067","","","","","","1.171","","","","has coordinates,has disorder","259981","2020-12-19","03:06:03",""
"7706061","8.4977","0.0013","13.297","0.002","15.646","0.002","90","","103.015","0.002","90","","1722.5","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl2 In N7 S2 -","- C11 H14 Cl2 In N7 S2 -","- C44 H56 Cl8 In4 N28 S8 -","4","1","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","","0.71073","MoKα","","0.0294","0.0225","","","0.0515","0.0547","","","","","","1.049","","","","has coordinates","259981","2020-12-19","03:06:03",""
"7706062","8.5777","0.0006","11.3038","0.0008","13.9701","0.001","94.032","0.001","102.892","0.001","106.279","0.001","1254.63","0.15","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Cl2 In2 N14 S4 -","- C46 H42 Cl2 In2 N14 S4 -","- C46 H42 Cl2 In2 N14 S4 -","1","0.5","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","","0.71073","MoKα","","0.0277","0.0235","","","0.0557","0.058","","","","","","1.035","","","","has coordinates","259981","2020-12-19","03:06:03",""
"7706063","6.603","0.003","7.456","0.004","9.401","0.005","90","","91.618","0.006","90","","462.6","0.4","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- P Pb S3 -","- P Pb S3 -","- P4 Pb4 S12 -","4","1","","Wang, Peng; Abudoureheman, Maierhaba; Chen, Zhaohui","Experimental and theoretical studies of the ternary thiophosphate PbPS<sub>3</sub> featuring ethane-like [P<sub>2</sub>S<sub>6</sub>]<sup>4-</sup> units.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17221","17229","10.1039/d0dt03420g","","","0.71073","MoKα","","0.029","0.0227","","","0.043","0.0444","","","","","","1.002","","","","has coordinates","259982","2020-12-19","03:06:36",""
"7706076","10.6588","0.0007","10.6588","0.0007","34.838","0.003","90","","90","","120","","3427.7","0.4","200","2","200.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C22 H30 B2 F8 Fe N26 O12 -","- C22 H30 B2 F8 Fe N26 O12 -","- C66 H90 B6 F24 Fe3 N78 O36 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0387","0.0318","","","0.0804","0.0854","","","","","","1.068","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706077","10.4735","0.0005","10.4735","0.0005","34.48","0.002","90","","90","","120","","3275.5","0.3","100","2","100.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C22 H30 B2 F8 Fe N26 O12 -","- C22 H30 B2 F8 Fe N26 O12 -","- C66 H90 B6 F24 Fe3 N78 O36 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0304","0.0271","","","0.0673","0.0692","","","","","","1.072","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706078","10.53","0.003","10.576","0.003","13.836","0.004","75.4","0.008","73.122","0.007","64.974","0.007","1321.1","0.7","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H58 B2 F8 Fe N24 O13 -","- C34 H50 B4.7 F8 Fe N24 O13 -","- C34 H50 B4.7 F8 Fe N24 O13 -","1","0.5","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.2313","0.091","","","0.1728","0.2172","","","","","","1.002","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706079","10.63","0.003","10.971","0.003","14.235","0.004","74.796","0.006","71.624","0.006","63.563","0.006","1396.1","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H58 B2 F8 Fe N24 O13 -","- C34.78 H50.28 B2 F8 Fe N24 O12.9 -","- C34.78 H50.28 B2 F8 Fe N24 O12.9 -","1","0.5","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.2632","0.1327","","","0.3257","0.3963","","","","","","1.014","","","","has coordinates,has disorder","259985","2020-12-19","03:12:38",""
"7706080","10.747","0.003","10.747","0.003","34.689","0.009","90","","90","","120","","3469.7","1.6","200.15","","200.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H30 Cl2 Fe N26 O20 -","- C22 H30 Cl2 Fe N26 O20 -","- C66 H90 Cl6 Fe3 N78 O60 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0886","0.0569","","","0.1449","0.1631","","","","","","1.071","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706081","10.6262","0.0013","11.0192","0.0013","27.044","0.003","96.08","0.004","93.16","0.004","116.571","0.003","2797.5","0.6","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H58 Cl2 Fe N24 O21 -","- C34 H58 Cl2 Fe N24 O21 -","- C68 H116 Cl4 Fe2 N48 O42 -","2","1","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.1889","0.0874","","","0.2197","0.2649","","","","","","1.051","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706082","10.587","0.002","10.587","0.002","34.314","0.007","90","","90","","120","","3330.8","1.1","296.15","","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H30 Cl2 Fe N26 O20 -","- C22 H30 Cl2 Fe N26 O20 -","- C66 H90 Cl6 Fe3 N78 O60 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0762","0.055","","","0.1329","0.1445","","","","","","1.115","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706083","10.612","0.0012","10.6186","0.0012","26.596","0.003","95.237","0.003","95.276","0.003","114.758","0.003","2681.9","0.5","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H58 Cl2 Fe N24 O21 -","- C34 H58 Cl2 Fe N24 O21 -","- C68 H116 Cl4 Fe2 N48 O42 -","2","1","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.1452","0.0596","","","0.1016","0.1248","","","","","","1.01","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706084","18.0057","0.0004","11.2323","0.0006","8.0169","0.0009","90","","91.838","0.003","90","","1620.5","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl Gd N8 O7 -","- C8 H16 Cl Gd N8 O7 -","- C32 H64 Cl4 Gd4 N32 O28 -","4","0.5","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0431","0.0331","","","0.0367","0.0375","","","","1.77","1.77","1.67","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706085","14.517","0.003","19.785","0.004","24.597","0.005","75.63","0.03","72.85","0.03","74.42","0.03","6392","3","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cl3 F54 Gd3 N10 O27 -","- C95 H73 F54 Gd3 N10 O27 -","- C190 H146 F108 Gd6 N20 O54 -","2","1","","Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun","Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17414","17420","10.1039/d0dt03312j","","","0.71073","MoKα","","0.1212","0.0845","","","0.2005","0.2309","","","","","","1.071","","","","has coordinates","259986","2020-12-19","03:14:05",""
"7706086","14.46","0.003","19.762","0.004","24.51","0.005","95.56","0.03","106.86","0.03","105.57","0.03","6340","3","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cl3 F54 N10 O27 Tb3 -","- C95 H73 F54 N10 O27 Tb3 -","- C190 H146 F108 N20 O54 Tb6 -","2","1","","Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun","Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17414","17420","10.1039/d0dt03312j","","","0.71073","MoKα","","0.1119","0.0769","","","0.1874","0.2153","","","","","","1.132","","","","has coordinates","259986","2020-12-19","03:14:05",""
"7706087","14.509","0.003","19.777","0.004","24.544","0.005","95.37","0.03","107.02","0.03","105.55","0.03","6374","3","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cl3 Dy3 F54 N10 O27 -","- C95 H73 Dy3 F54 N10 O27 -","- C190 H146 Dy6 F108 N20 O54 -","2","1","","Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun","Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17414","17420","10.1039/d0dt03312j","","","0.71073","MoKα","","0.1612","0.1177","","","0.2695","0.3055","","","","","","1.148","","","","has coordinates","259986","2020-12-19","03:14:05",""
"7706088","13.6","0.0003","23.7029","0.0006","22.3885","0.0006","90","","93.718","0.002","90","","7202","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H62 Cl6 N2 Sb2 Se -","- C69 H54 Cl6 N2 Sb2 Se -","- C276 H216 Cl24 N8 Sb8 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0777","0.0735","","","0.2231","0.2278","","","","","","1.091","","","","has coordinates","259987","2020-12-19","03:16:05",""
"7706089","13.78581","0.00017","23.6833","0.0005","22.4844","0.0004","90","","91.6768","0.0015","90","","7337.9","0.2","298","","298","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C76.33 H65.67 Br6 Cl0.67 N2 Sb2 Se -","- C69 H57 Br6 N2 Sb2 Se -","- C276 H228 Br24 N8 Sb8 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0496","0.0436","","","0.1114","0.1176","","","","","","0.9521","","","","has coordinates","259987","2020-12-19","03:16:06",""
"7706090","10.17157","0.00019","23.6916","0.0006","20.4392","0.0005","90","","94.425","0.002","90","","4910.8","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Br3 N2 Sb Se -","- C45 H40 Br3 N2 Sb Se -","- C180 H160 Br12 N8 Sb4 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0478","0.0376","","","0.0972","0.1074","","","","","","1.0298","","","","has coordinates","259987","2020-12-19","03:16:06",""
"7706091","14.0909","0.0003","20.4357","0.0004","17.3498","0.0004","90","","104.844","0.002","90","","4829.27","0.18","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cl3 N2 Sb Se -","- C45 H40 Cl3 N2 Sb Se -","- C180 H160 Cl12 N8 Sb4 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0416","0.0321","","","0.0813","0.0873","","","","","","1.0202","","","","has coordinates,has disorder","259987","2020-12-19","03:16:06",""
"7706092","10.6202","0.0006","11.296","0.0005","13.7122","0.0007","72.604","0.004","70.354","0.005","75.461","0.004","1457.49","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","RS-AR-9","","- C68 H56 Br2 Cu2 N6 P2 S2 -","- C68 H56 Br2 Cu2 N6 P2 S2 -","- C68 H56 Br2 Cu2 N6 P2 S2 -","1","0.5","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","0.71073","MoKα","","0.0645","0.0412","","","0.0854","0.0974","","","","","","1.039","","","","has coordinates","259988","2020-12-19","03:17:09",""
"7706093","10.4921","0.0007","12.002","0.0006","13.82","0.001","82.287","0.005","79.882","0.006","75.133","0.005","1648.6","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Ag2 Cl2 N6 P2 S2 -","- C70 H60 Ag2 Cl2 N6 P2 S2 -","- C70 H60 Ag2 Cl2 N6 P2 S2 -","1","0.5","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","1.54184","CuKα","","0.0437","0.0383","","","0.0959","0.0994","","","","","","1.011","","","","has coordinates","259988","2020-12-19","03:17:09",""
"7706094","10.7478","0.0004","11.3867","0.0004","13.6861","0.0007","72.548","0.004","72.022","0.004","75.693","0.003","1497.61","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","RS-AR-12","","- C68 H56 Ag2 Br2 N6 P2 S2 -","- C68 H56 Ag2 Br2 N6 P2 S2 -","- C68 H56 Ag2 Br2 N6 P2 S2 -","1","0.5","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","0.71073","MoKα","","0.0617","0.0378","","","0.0762","0.0871","","","","","","1.025","","","","has coordinates","259988","2020-12-19","03:17:10",""
"7706095","9.3567","0.0003","13.0349","0.0004","19.9282","0.0007","87.801","0.003","83.782","0.003","84.846","0.002","2405.44","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 Cu N3 P2 S2 -","- C53 H45 Cu N3 P2 S2 -","- C106 H90 Cu2 N6 P4 S4 -","2","1","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","0.71073","MoKα","","0.0594","0.0418","","","0.0974","0.1077","","","","","","1.017","","","","has coordinates","259988","2020-12-19","03:17:10",""
"7706102","8.1493","0.0002","17.0654","0.0005","19.193","0.0004","90","","98.62","0.002","90","","2639.04","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H76 N12 O2 Zn4 -","- C49 H76 N12 O2 Zn4 -","- C98 H152 N24 O4 Zn8 -","2","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.061","0.0409","","","0.0844","0.0916","","","","","","1.041","","","","has coordinates,has disorder","259992","2020-12-19","03:20:32",""
"7706103","11.89","0.02","15.35","0.02","22.38","0.05","72.5","0.06","88.38","0.08","69.64","0.03","3639","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H120 N8 O3 Zn4 -","- C64 H120 N8 O3 Zn4 -","- C128 H240 N16 O6 Zn8 -","2","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.1387","0.1088","","","0.3109","0.3274","","","","","","1.088","","","","has coordinates","259992","2020-12-19","03:20:33",""
"7706104","7.7664","0.0003","29.8024","0.0012","16.0219","0.0006","90","","102.299","0.004","90","","3623.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 N8 O2 Zn3 -","- C32 H54 N8 O2 Zn3 -","- C128 H216 N32 O8 Zn12 -","4","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.0379","0.0296","","","0.0629","0.0654","","","","","","1.051","","","","has coordinates","259992","2020-12-19","03:20:33",""
"7706105","10.982","0.0015","18.677","0.003","14.857","0.002","90","","109.536","0.008","90","","2871.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46.24 N4 Zn2 -","- C26 H46.24 N4 Zn2 -","- C104 H184.96 N16 Zn8 -","4","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.2046","0.1877","","","0.4182","0.4252","","","","","","1.141","","","","has coordinates,has disorder","259992","2020-12-19","03:20:33",""
"7706106","14.0604","0.0004","18.0359","0.0006","17.1111","0.0006","90","","92.433","0.003","90","","4335.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 N8 Zn3 -","- C40 H70 N8 Zn3 -","- C160 H280 N32 Zn12 -","4","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.0799","0.0475","","","0.1028","0.1212","","","","","","1.053","","","","has coordinates","259992","2020-12-19","03:20:33",""
"7706107","12.2907","0.0009","16.3872","0.001","13.4133","0.0011","90","","109.417","0.008","90","","2547.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N4 O2 Zn2 -","- C26 H36 N4 O2 Zn2 -","- C104 H144 N16 O8 Zn8 -","4","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","x-ray","0.71073","MoKα","","0.0653","0.0564","","","0.1447","0.1602","","","","","","1.0447","","","","has coordinates","259992","2020-12-19","03:20:33",""
"7706108","8.4133","0.0014","7.1479","0.0011","7.505","0.0011","90","","90","","90","","451.33","0.12","130","2","130","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C5 H10 I N2 P -","- C5 H10 I N2 P -","- C10 H20 I2 N4 P2 -","2","0.25","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0735","0.0639","","","0.1431","0.148","","","","","","1.288","","","","has coordinates,has disorder","259993","2020-12-19","03:23:27",""
"7706109","9.245","0.0005","7.4965","0.0004","10.4442","0.0006","90","","115.069","0.003","90","","655.65","0.06","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 I N2 P -","- C9 H18 I N2 P -","- C18 H36 I2 N4 P2 -","2","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.021","0.0194","","","0.0483","0.0496","","","","","","1.188","","","","has coordinates","259993","2020-12-19","03:23:29",""
"7706110","21.5771","0.0013","14.8112","0.0008","21.4093","0.0011","90","","90","","90","","6842","0.7","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 I N4 P -","- C32 H46 I N4 P -","- C256 H368 I8 N32 P8 -","8","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0726","0.0383","","","0.0759","0.0861","","","","","","1.015","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706111","17.815","0.0008","19.1134","0.0009","14.7481","0.0007","90","","114.254","0.002","90","","4578.5","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27.5 I N2.5 P -","- C22 H27.5 I N2.5 P -","- C176 H220 I8 N20 P8 -","8","2","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.053","0.0323","","","0.0734","0.083","","","","","","1.01","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706112","40.4446","0.0012","10.7492","0.0003","12.5916","0.0003","90","","90","","90","","5474.2","0.3","135","2","135","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H41 N2 P -","- C29 H41 N2 P -","- C232 H328 N16 P8 -","8","2","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","1.54178","CuKα","","0.0574","0.0449","","","0.1025","0.1085","","","","","","1.033","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706113","10.3552","0.0006","7.0047","0.0004","37.0995","0.0019","90","","97.948","0.003","90","","2665.2","0.3","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 N2 P -","- C28 H39 N2 P -","- C112 H156 N8 P4 -","4","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.1087","0.0528","","","0.0994","0.1174","","","","","","1.001","","","","has coordinates","259993","2020-12-19","03:23:29",""
"7706114","9.4999","0.0003","19.6312","0.0007","16.2528","0.0006","90","","100.794","0.002","90","","2977.43","0.18","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 B F4 N2 P -","- C29 H42 B F4 N2 P -","- C116 H168 B4 F16 N8 P4 -","4","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0851","0.0594","","","0.145","0.169","","","","","","1.041","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706115","9.6514","0.0005","19.5693","0.0009","16.5413","0.0007","90","","101.591","0.002","90","","3060.5","0.2","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 B F4 N2 P -","- C30 H44 B F4 N2 P -","- C120 H176 B4 F16 N8 P4 -","4","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0823","0.0521","","","0.1212","0.1366","","","","","","1.032","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706116","16.2797","0.0011","19.2139","0.0011","20.2982","0.0014","90","","90","","90","","6349.2","0.7","135","2","135","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C28 H40 B Cl2 F4 N2 P -","- C28 H40 B Cl2 F4 N2 P -","- C224 H320 B8 Cl16 F32 N16 P8 -","8","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0936","0.0699","","","0.1937","0.2139","","","","","","1.03","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706117","10.6034","0.0005","27.3731","0.0013","16.1467","0.0007","90","","91.181","0.002","90","","4685.6","0.4","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 B F4 N2 P -","- C22 H28 B F4 N2 P -","- C176 H224 B8 F32 N16 P8 -","8","2","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.1427","0.0944","","","0.237","0.2697","","","","","","1.036","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706118","18.554","0.0005","19.0734","0.0006","8.1713","0.0002","90","","90","","90","","2891.72","0.14","135","2","135","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 B F4 N2 P -","- C29 H42 B F4 N2 P -","- C116 H168 B4 F16 N8 P4 -","4","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0592","0.043","","","0.11","0.1223","","","","","","1.049","","","","has coordinates","259993","2020-12-19","03:23:30",""
"7706119","30.49","0.002","32.625","0.002","12.8127","0.0008","90","","90","","90","","12745.3","1.4","130","2","130","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H40.5 I N2.5 O0.5 P -","- C27 H38 I N2 P -","- C432 H608 I16 N32 P16 -","16","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0688","0.0647","","","0.1886","0.1944","","","","","","1.106","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706124","9.9361","0.0008","10.0331","0.0007","14.4174","0.0012","84.088","0.004","77.796","0.004","65.153","0.003","1274.59","0.18","238.22","","238.22","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H25 Mo5 N4 O23.5 P2 -","- C6 H25 Mo5 N4 O23.5 P2 -","- C12 H50 Mo10 N8 O47 P4 -","2","1","","Zhang, Shan; Lu, Ying; Sun, Xiuwei; Li, Zhuo; Dang, Tianyi; Liu, Shuxia","Proton transfer in polyamine-P<sub>2</sub>Mo<sub>5</sub> model adducts: exploring the effect of polyamine cations on their proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17301","17309","10.1039/d0dt03446k","","","0.71073","MoKα","","0.0792","0.0385","","","0.0607","0.0706","","","","","","1.012","","","","has coordinates,has disorder","259995","2020-12-19","03:26:46",""
"7706125","10.3242","0.0014","10.9734","0.0015","15.718","0.002","95.654","0.006","95.813","0.005","111.47","0.004","1630.9","0.4","113.09","","113.09","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H40 Mo5 N6 O27 P2 -","- C8 H40 Mo5 N6 O27 P2 -","- C16 H80 Mo10 N12 O54 P4 -","2","1","","Zhang, Shan; Lu, Ying; Sun, Xiuwei; Li, Zhuo; Dang, Tianyi; Liu, Shuxia","Proton transfer in polyamine-P<sub>2</sub>Mo<sub>5</sub> model adducts: exploring the effect of polyamine cations on their proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17301","17309","10.1039/d0dt03446k","","","0.71073","MoKα","","0.0305","0.0254","","","0.0616","0.0648","","","","","","1.127","","","","has coordinates","259995","2020-12-19","03:26:46",""
"7706126","8.95682","0.00016","14.2454","0.0002","18.8663","0.0003","82.031","0.0013","84.2723","0.0013","89.8078","0.0014","2371.93","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N6 O12 U2 -","- C46 H54 N6 O12 U2 -","- C92 H108 N12 O24 U4 -","2","1","","Azam, Mohammad; Kumar, Umesh; Olowoyo, Joshua O.; Al-Resayes, Saud I; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Islam, Mohammad Shahidul; Khan, Mohammad Rizwan; Adil, S. F.; Siddiqui, Mohammad Rafique; Al-Harthi, Fahad Ahmed; Alinzi, Abdul Karim; Wabaidur, Saikh Mohammad; Siddiqui, Masoom Raza; Shaik, Mohammed Rafi; Jain, Suman L.; Farkhondehfal, M. Amin; Hernàndez, Simelys","Dinuclear uranium(VI) salen coordination compound: an efficient visible-light-active catalyst for selective reduction of CO<sub>2</sub> to methanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17243","17251","10.1039/d0dt02620d","","x-ray","1.54184","CuKα","","0.0306","0.0306","","","0.0884","0.0885","","","","","","1.189","","","","has coordinates","259996","2020-12-19","03:27:15",""
"7706129","10.6462","0.0013","9.5942","0.0013","17.992","0.002","90","","98.317","0.005","90","","1818.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H64 Cl12 N12 O0 Ru2 -","- C76 H64 Cl12 N12 Ru2 -","- C76 H64 Cl12 N12 Ru2 -","1","0.5","","Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina","A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17375","17387","10.1039/d0dt03548c","","","0.71073","MoKα","","0.0732","0.0544","","","0.1095","0.1172","","","","","","1.032","","","","has coordinates","259998","2020-12-19","03:28:19",""
"7706130","23.8599","0.0017","13.0679","0.0009","26.5063","0.0018","90","","93.5948","0.0019","90","","8248.4","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33.6 H27.8 F6 N5 O7.8 Ru S2 -","- C33.6 H27.8 F6 N5 O7.8 Ru S2 -","- C268.8 H222.4 F48 N40 O62.4 Ru8 S16 -","8","1","","Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina","A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17375","17387","10.1039/d0dt03548c","","","0.71073","MoKα","","0.0962","0.0735","","","0.2088","0.2302","","","","","","1.082","","","","has coordinates,has disorder","259998","2020-12-19","03:28:19",""
"7706131","28.6009","0.001","19.1656","0.0006","32.2296","0.0011","90","","113.648","0.001","90","","16183.2","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re5 W -","- C82 H96 Fe9 N48 O34 Re4.9998 W1.0002 -","- C328 H384 Fe36 N192 O136 Re19.9992 W4.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0645","0.0543","","","0.1183","0.1233","","","","","","1.205","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706132","28.7382","0.0011","18.9574","0.0007","32.1517","0.0012","90","","114.259","0.001","90","","15969.6","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re4 W2 -","- C82 H96 Fe9 N48 O34 Re4.0002 W1.9998 -","- C328 H384 Fe36 N192 O136 Re16.0008 W7.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0743","0.0451","","","0.0973","0.1095","","","","","","1.035","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706133","28.662","0.0017","19.4695","0.001","32.62","0.003","90","","113.855","0.002","90","","16648","2","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re5 W -","- C82 H96 Fe9 N48 O34 Re4.9998 W1.0002 -","- C328 H384 Fe36 N192 O136 Re19.9992 W4.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0687","0.0478","","","0.1125","0.1296","","","","","","1.041","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706134","28.6739","0.0009","19.4246","0.0006","32.637","0.001","90","","113.623","0.001","90","","16654.8","0.9","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re5 W -","- C82 H96 Fe9 N48 O34 Re4.9998 W1.0002 -","- C328 H384 Fe36 N192 O136 Re19.9992 W4.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0436","0.0347","","","0.0827","0.0873","","","","","","1.092","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706135","28.842","0.006","19.362","0.004","32.652","0.009","90","","113.953","0.007","90","","16664","7","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Fe9 N48 O36 Re2 W4 -","- C84 H96 Fe9 N48 O36 Re1.9998 W4.0002 -","- C336 H384 Fe36 N192 O144 Re7.9992 W16.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0646","0.0477","","","0.1138","0.1207","","","","","","1.059","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706136","28.846","0.007","19.201","0.005","32.426","0.007","90","","114.211","0.008","90","","16380","7","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re3 W3 -","- C82 H96 Fe9 N48 O34 Re3 W3 -","- C328 H384 Fe36 N192 O136 Re12 W12 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0906","0.0539","","","0.1107","0.1231","","","","","","1.053","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706137","28.783","0.002","19.2494","0.0015","32.457","0.003","90","","114.169","0.002","90","","16407","2","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re4 W2 -","- C82 H96 Fe9 N48 O34 Re4.0002 W1.9998 -","- C328 H384 Fe36 N192 O136 Re16.0008 W7.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0538","0.035","","","0.0739","0.08","","","","","","1.055","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706138","28.68","0.0014","18.9812","0.001","32.211","0.002","90","","114.156","0.001","90","","15999.6","1.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re3 W3 -","- C82 H96 Fe9 N48 O34 Re3 W3 -","- C328 H384 Fe36 N192 O136 Re12 W12 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0609","0.0402","","","0.0934","0.104","","","","","","1.047","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706139","28.691","0.004","19.556","0.002","32.72","0.004","90","","113.535","0.003","90","","16831","4","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Fe9 N48 O36 Re2 W4 -","- C84 H96 Fe9 N48 O36 Re1.9998 W4.0002 -","- C336 H384 Fe36 N192 O144 Re7.9992 W16.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0768","0.0504","","","0.1142","0.1277","","","","","","1.034","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706140","28.5946","0.0008","19.2126","0.0005","32.3269","0.0009","90","","113.499","0.001","90","","16286.8","0.8","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H156 Fe9 N48 O39 Re W5 -","- C87 H96 Fe9 N48 O39 Re1.0002 W4.9998 -","- C348 H384 Fe36 N192 O156 Re4.0008 W19.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0485","0.0354","","","0.0769","0.0824","","","","","","1.067","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706141","28.7447","0.0009","19.4568","0.0006","32.6354","0.0014","90","","113.453","0.001","90","","16744.4","1","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H156 Fe9 N48 O39 Re W5 -","- C87 H96 Fe9 N48 O39 Re1.0002 W4.9998 -","- C348 H384 Fe36 N192 O156 Re4.0008 W19.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0552","0.036","","","0.0759","0.0827","","","","","","1.031","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706142","28.82","0.002","19.5768","0.0015","32.775","0.003","90","","113.647","0.001","90","","16939","2","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H156 Fe9 N48 O39 Re W5 -","- C87 H96 Fe9 N48 O39 Re1.0002 W4.9998 -","- C348 H384 Fe36 N192 O156 Re4.0008 W19.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0629","0.0413","","","0.0889","0.1007","","","","","","1.074","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706143","28.828","0.003","19.3983","0.0019","32.625","0.004","90","","114.134","0.002","90","","16650","3","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re3 W3 -","- C82 H96 Fe9 N48 O34 Re3 W3 -","- C328 H384 Fe36 N192 O136 Re12 W12 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0534","0.0375","","","0.0734","0.0785","","","","","","1.097","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706144","28.6105","0.0009","19.1986","0.0006","32.2988","0.001","90","","113.529","0.001","90","","16266.1","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Fe9 N48 O36 Re2 W4 -","- C84 H96 Fe9 N48 O36 Re1.9998 W4.0002 -","- C336 H384 Fe36 N192 O144 Re7.9992 W16.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0517","0.0405","","","0.0872","0.0923","","","","","","1.125","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706145","7.5494","0.0003","9.9887","0.0003","12.8842","0.0005","94.265","0.003","91.214","0.002","112.2","0.006","895.79","0.07","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 Fe2 P6 -","- C39 H32 Fe2 P6 -","- C39 H32 Fe2 P6 -","1","0.5","","Petrov, Andrey V.; Zagidullin, Almaz A.; Bezkishko, Ilya A.; Khrizanforov, Mikhail N.; Kholin, Kirill V.; Gerasimova, Tatiana P.; Ivshin, Kamil A.; Shekurov, Ruslan P.; Katsyuba, Sergey A.; Kataeva, Olga N.; Budnikova, Yulia H.; Miluykov, Vasili A.","Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene).","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17252","17262","10.1039/d0dt03281f","","","0.71073","MoKα","","0.0585","0.048","","","0.1333","0.1388","","","","","","1.036","","","","has coordinates,has disorder","260000","2020-12-19","03:32:42",""
"7706146","11.6056","0.001","7.0005","0.0006","21.4608","0.0018","90","","95.376","0.004","90","","1735.9","0.3","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Fe P3 -","- C19 H15 Fe P3 -","- C76 H60 Fe4 P12 -","4","1","","Petrov, Andrey V.; Zagidullin, Almaz A.; Bezkishko, Ilya A.; Khrizanforov, Mikhail N.; Kholin, Kirill V.; Gerasimova, Tatiana P.; Ivshin, Kamil A.; Shekurov, Ruslan P.; Katsyuba, Sergey A.; Kataeva, Olga N.; Budnikova, Yulia H.; Miluykov, Vasili A.","Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene).","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17252","17262","10.1039/d0dt03281f","","","0.71073","MoKα","","0.0546","0.0451","","","0.1084","0.1133","","","","","","1.046","","","","has coordinates","260000","2020-12-19","03:32:42",""
"7706147","8.313","0.004","21.426","0.009","21.959","0.008","90","","90","","90","","3911","3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C48 H96 Cl48 N72 Pb12 -","12","3","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0407","0.0314","","","0.069","0.0708","","","","","","0.892","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706148","8.3092","0.0005","7.5086","0.0005","21.5925","0.0017","90","","90","","90","","1347.17","0.16","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.025","0.024","","","0.0555","0.0559","","","","","","1.229","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706149","9.6451","0.0007","8.4001","0.0005","8.3932","0.0005","90","","97.016","0.008","90","","674.92","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Br4 N6 Pb -","- C4 H8 Br4 N6 Pb -","- C8 H16 Br8 N12 Pb2 -","2","0.5","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0285","0.0263","","","0.0668","0.0675","","","","","","1.082","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706150","8.306","0.0005","7.4959","0.0005","21.5814","0.0017","90","","90","","90","","1343.68","0.16","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0288","0.0269","","","0.0616","0.0623","","","","","","1.235","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706151","8.321","0.005","21.465","0.012","22.084","0.01","90","","90","","90","","3944","4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C48 H96 Cl48 N72 Pb12 -","12","3","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0454","0.0339","","","0.0692","0.0717","","","","","","0.868","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706152","9.6028","0.0012","20.805","0.002","19.776","0.003","90","","90","","90","","3951","0.9","93","2","93","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H20 I10 N12 O2 Pb3 -","- C8 H20 I10 N12 O2 Pb3 -","- C32 H80 I40 N48 O8 Pb12 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0159","0.0151","","","0.0336","0.0338","","","","","","1.18","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706153","6.2517","0.0001","13.7892","0.0003","7.2894","0.0002","90","","94.507","0.002","90","","626.45","0.02","164","2","164","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nickel diphosphate hydrate","dinickel diphosphate dihydrate","","- H4 Ni2 O9 P2 -","- H4 Ni2 O9 P2 -","- H16 Ni8 O36 P8 -","4","1","","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Ovchenkov, Yevgeniy A.; Volkov, Anatoly S.; Dimitrova, Olga V.; Simonov, Sergey V.; Vasiliev, Alexander N.","Crystal structure and thermodynamic properties of dinickel diphosphate dihydrate Ni<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>[P<sub>2</sub>O<sub>7</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17368","17374","10.1039/d0dt03505j","","","0.71073","MoKα","","0.0191","0.016","","","0.0383","0.0389","","","","","","1.125","","","","has coordinates","260002","2020-12-19","03:34:09",""
"7706166","13","0.001","7.543","0.001","19.01","0.0001","90","","130.07","0.001","90","","1426.5","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F4 K4 O11 P2 S2 -","- F4 K4 O11 P2 S2 -","- F16 K16 O44 P8 S8 -","4","0.5","","Zhang, Wenyao; Jin, Wenqi; Yang, Zhihua; Pan, Shilie","K<sub>4</sub>(PO<sub>2</sub>F<sub>2</sub>)<sub>2</sub>(S<sub>2</sub>O<sub>7</sub>): first fluorooxophosphorsulfate with mixed-anion [S<sub>2</sub>O<sub>7</sub>]<sup>2-</sup> and [PO<sub>2</sub>F<sub>2</sub>]<sup>-</sup> groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17658","17664","10.1039/d0dt03307c","","","0.71073","MoKα","","0.0784","0.0471","","","0.0732","0.0812","","","","","","1.125","","","","has coordinates","260101","2020-12-23","02:55:27",""
"7706181","14.6015","0.0007","14.6038","0.0008","13.9168","0.0007","90","","90","","90","","2967.6","0.3","106","2","105.87","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C33.94 H32 N4 O4 U -","- C34 H32 N4 O4 U -","- C136 H128 N16 O16 U4 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","","0.71073","MoKα","","0.0337","0.0251","","","0.048","0.0547","","","","","","1.243","","","","has coordinates,has disorder","260105","2020-12-23","03:02:24",""
"7706182","8.5959","0.0007","13.3829","0.001","13.4915","0.001","103.25","0.002","100.909","0.002","97.822","0.002","1457","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Ce N4 O4 -","- C34 H32 Ce N4 O4 -","- C68 H64 Ce2 N8 O8 -","2","1","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0587","0.0613","","","","","","1.068","","","","has coordinates","260105","2020-12-23","03:02:25",""
"7706183","14.591","0.0008","14.5959","0.0008","13.8205","0.0007","90","","90","","90","","2943.3","0.3","100","","100","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C34 H32 N4 O4 Pu -","- C34 H32 N4 O4 Pu -","- C136 H128 N16 O16 Pu4 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.0538","0.0328","","","0.058","0.0652","","","","","","1.288","","","","has coordinates,has disorder","260105","2020-12-23","03:02:25",""
"7706184","14.7012","0.0007","14.7004","0.0007","13.9369","0.0007","90","","90","","90","","3012","0.3","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C34 H32 N4 O4 Th -","- C34 H32 N4 O4 Th -","- C136 H128 N16 O16 Th4 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","","0.71073","MoKα","","0.04","0.0295","","","0.0618","0.0669","","","","","","1.195","","","","has coordinates,has disorder","260105","2020-12-23","03:02:25",""
"7706185","14.6108","0.0014","13.4604","0.0013","14.9187","0.0015","90","","91.48","0.003","90","","2933","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Ce N4 O4 -","- C34 H32 Ce N4 O4 -","- C136 H128 Ce4 N16 O16 -","4","1","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.076","0.0622","","","0.1389","0.1557","","","","","","1.065","","","","has coordinates","260105","2020-12-23","03:02:25",""
"7706186","14.5915","0.0011","14.5923","0.0011","13.8426","0.0011","90","","90","","90","","2947.4","0.4","100","2","99.99","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C34 H32 N4 Np O4 -","- C34 H32 N4 Np O4 -","- C136 H128 N16 Np4 O16 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.0364","0.0294","","","0.0521","0.0554","","","","","","1.183","","","","has coordinates,has disorder","260105","2020-12-23","03:02:25",""
"7706190","7.4259","0.0003","8.5641","0.0003","10.8957","0.0004","82.941","0.003","84.961","0.003","77.506","0.003","670.04","0.04","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl4 Fe2 N6 O2 -","- C24 H22 Cl4 Fe2 N6 O2 -","- C24 H22 Cl4 Fe2 N6 O2 -","1","0.5","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","0.71073","MoKα","","0.033","0.0269","","","0.0627","0.0666","","","","","","1.039","","","","has coordinates","260107","2020-12-23","03:04:47",""
"7706191","7.80925","0.00005","18.68619","0.00009","9.50696","0.00005","90","","93.6941","0.0005","90","","1384.42","0.013","173","0.1","173","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H29 Cl2 Fe N5 O4 S2 -","- C23 H29 Cl2 Fe N5 O4 S2 -","- C46 H58 Cl4 Fe2 N10 O8 S4 -","2","0.5","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","1.54184","CuKα","","0.0341","0.0334","","","0.089","0.0896","","","","","","1.047","","","","has coordinates","260107","2020-12-23","03:04:57",""
"7706192","20.8273","0.0001","13.9967","0.0001","19.108","0.0001","90","","95.427","0.001","90","","5545.27","0.06","173","0.1","173","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H29 Cl2 Fe N5 O4 S2 -","- C23 H29 Cl2 Fe N5 O4 S2 -","- C184 H232 Cl16 Fe8 N40 O32 S16 -","8","1","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","1.54184","CuKα","","0.0351","0.0323","","","0.0891","0.0909","","","","","","1.091","","","","has coordinates","260107","2020-12-23","03:05:00",""
"7706193","19.64797","0.00016","15.77189","0.00015","9.27194","0.00008","90","","97.2461","0.0008","90","","2850.29","0.04","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl Fe I N6 O -","- C27 H26 Cl Fe I N6 O -","- C108 H104 Cl4 Fe4 I4 N24 O4 -","4","1","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","0.71073","MoKα","","0.0409","0.0315","","","0.0743","0.0791","","","","","","1.044","","","","has coordinates","260107","2020-12-23","03:05:10",""
"7706194","12.8764","0.0016","15.6215","0.0019","15.7745","0.0019","71.766","0.005","77.414","0.005","80.424","0.005","2924.7","0.6","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","[Zn2(PDIeCy)(OTf)4]","","- C37 H53 F12 N7 O12 S4 Zn2 -","- C37 H53 F12 N7 O12 S4 Zn2 -","- C74 H106 F24 N14 O24 S8 Zn4 -","2","1","","Hofmann, Andreas J.; Niederegger, Lukas; Hess, Corinna R.","Neighbouring effects on catalytic epoxidation by Fe-cyclam in M<sub>2</sub>-PDIxCy complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17642","17648","10.1039/d0dt03758c","","x-ray","0.71073","MoKα","","0.0919","0.0734","","","0.2023","0.226","","","","","","1.056","","","","has coordinates,has disorder","260108","2020-12-23","03:06:05",""
"7706195","12.671","0.0009","15.7641","0.0012","15.7646","0.0012","71.79","0.002","80.34","0.003","77.624","0.003","2904.4","0.4","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","[FeZn(PDIeCy)(OTf)4]","","- C37 H53 F12 Fe N7 O12 S4 Zn -","- C36.999 H53 F11.997 Fe N7 O11.997 S3.999 Zn -","- C73.998 H106 F23.994 Fe2 N14 O23.994 S7.998 Zn2 -","2","1","","Hofmann, Andreas J.; Niederegger, Lukas; Hess, Corinna R.","Neighbouring effects on catalytic epoxidation by Fe-cyclam in M<sub>2</sub>-PDIxCy complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17642","17648","10.1039/d0dt03758c","","x-ray","0.71073","MoKα","","0.0911","0.0803","","","0.2034","0.2129","","","","","","1.034","","","","has coordinates,has disorder","260108","2020-12-23","03:06:05",""
"7706196","10.2639","0.0003","13.4056","0.0003","13.9884","0.0004","90","","110.553","0.001","90","","1802.2","0.08","200","","200","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H23 Cl Ir N O -","- C19 H23 Cl Ir N O -","- C76 H92 Cl4 Ir4 N4 O4 -","4","1","","Ramos, Robin; Zimbron, Jérémy M; Thorimbert, Serge; Chamoreau, Lise-Marie; Munier, Annie; Botuha, Candice; Karaiskou, Anthi; Salmain, Michèle; Sobczak-Thépot, Joëlle","Insights into the antiproliferative mechanism of (C^N)-chelated half-sandwich iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17635","17641","10.1039/d0dt03414b","","","0.71073","MoKα","","0.0161","0.0149","","","0.0337","0.0341","","","","","","1.043","","","","has coordinates","260109","2020-12-23","03:06:40",""
"7706245","9.0775","0.0005","4.9444","0.0002","15.2017","0.001","90","","106.912","0.006","90","","652.79","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K0.8 Mo1.6 O6.4 U0.4 -","- K0.8 Mo1.6 O6.4 U0.4 -","- K4 Mo8 O32 U2 -","5","1.25","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0518","0.0334","","","0.0712","0.0784","","","","","","1.022","","","","has coordinates","260508","2021-01-05","07:18:37",""
"7706246","8.0728","0.0005","11.0224","0.0007","11.4744","0.0006","111.118","0.006","102.845","0.005","104.506","0.006","865.09","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- K5 Mo O37 U10 -","- K5 Mo O37 U10 -","- K5 Mo O37 U10 -","1","1","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0443","0.034","","","0.0761","0.0827","","","","","","1.131","","","","has coordinates","260508","2021-01-05","07:18:47",""
"7706247","21.3977","0.0011","8.8037","0.0003","16.4131","0.0009","90","","129.973","0.009","90","","2369.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H30 N10 O2 -","- C20 H30 N10 O2 -","- C80 H120 N40 O8 -","4","1","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0744","0.0601","","","0.187","0.1979","","","","","","1.239","","","","has coordinates,has disorder","260508","2021-01-05","07:18:50",""
"7706248","13.9807","0.0012","10.7427","0.0009","25.517","0.002","90","","90","","90","","3832.4","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- K3 Mo7 O42 U6 -","- K2.98 Mo7 O42 U6 -","- K11.92 Mo28 O168 U24 -","4","0.5","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0973","0.0511","","","0.0776","0.0915","","","","","","1.028","","","","has coordinates","260508","2021-01-05","07:18:54",""
"7706249","18.412","0.003","18.412","0.003","13.362","0.003","90","","90","","120","","3922.9","1.3","150","2","150","2","","","","","","","","6","P 64","P 64","172","","","","- C52 H32 Cl6 Co2 N10 O4 -","- C52 H32 Cl6 Co2 N10 O4 -","- C156 H96 Cl18 Co6 N30 O12 -","3","0.5","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.086","0.0431","","","0.0679","0.0766","","","","","","0.804","","","","has coordinates","260509","2021-01-05","07:21:14",""
"7706250","21.807","0.007","12.592","0.004","18.006","0.005","90","","103.952","0.004","90","","4798","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 Co2 N10 O4 -","- C58 H46 Co2 N10 O4 -","- C232 H184 Co8 N40 O16 -","4","1","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.0885","0.0562","","","0.1278","0.1427","","","","","","1.054","","","","has coordinates,has disorder","260509","2021-01-05","07:21:15",""
"7706251","14.565","0.0005","13.4841","0.0005","27.7621","0.0009","90","","103.074","0.003","90","","5311","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H36 Cl6 Co2 F6 N10 O4 Sb -","- C53 H36 Cl6 Co2 F6 N10 O4 Sb -","- C212 H144 Cl24 Co8 F24 N40 O16 Sb4 -","4","1","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.0457","0.036","","","0.0851","0.0908","","","","","","1.059","","","","has coordinates","260509","2021-01-05","07:21:15",""
"7706252","14.7291","0.0003","17.3069","0.0005","28.5952","0.0005","94.357","0.002","98.039","0.002","115.043","0.002","6464.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C127.5 H120 Cl7 Co4 F12 N20 O11 Sb2 -","- C127.41 H119.82 Cl6.82 Co4 F11.91 N20 O11 Sb2 -","- C254.82 H239.64 Cl13.64 Co8 F23.82 N40 O22 Sb4 -","2","1","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.1098","0.0825","","","0.1966","0.2129","","","","","","1.102","","","","has coordinates","260509","2021-01-05","07:21:15",""
"7706253","9.0638","0.0003","9.0638","0.0003","22.3036","0.0009","90","","90","","120","","1586.81","0.1","100","2","100","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C21 H22 N6 -","- C21 H22 N6 -","- C63 H66 N18 -","3","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.068","0.054","","","0.0994","0.1038","","","","","","1.13","","","","has coordinates","260510","2021-01-05","07:22:43",""
"7706254","10.758","0.0003","10.9296","0.0003","11.462","0.0004","67.799","0.001","72.26","0.001","65.898","0.001","1120.83","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O6 -","- C22 H24 Cl2 N2 O6 -","- C44 H48 Cl4 N4 O12 -","2","1","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.0597","0.0389","","","0.078","0.0856","","","","","","1.04","","","","has coordinates","260510","2021-01-05","07:22:44",""
"7706255","17.344","0.003","17.344","0.003","8.807","0.0015","90","","90","","120","","2294.3","0.7","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C27 H34 Cl2 Mn2 N8 O2 -","- C27 H34 Cl2 Mn2 N8 O2 -","- C81 H102 Cl6 Mn6 N24 O6 -","3","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.8104","synchrotron","","0.1607","0.0999","","","0.254","0.3084","","","","","","1.003","","","","has coordinates","260510","2021-01-05","07:22:44",""
"7706256","9.673","0.0005","10.5884","0.0005","39.5971","0.0019","90","","90","","90","","4055.6","0.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O6 -","- C43 H60 O6 -","- C172 H240 O24 -","4","1","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.1086","0.0624","","","0.1104","0.1241","","","","","","1.1","","","","has coordinates","260510","2021-01-05","07:22:46",""
"7706257","9.7978","0.0003","12.4501","0.0004","7.9839","0.0003","90","","90","","90","","973.9","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C42 H44 N4 O12 -","2","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","1.54178","CuKα","","0.0328","0.031","","","0.0783","0.0796","","","","","","1.089","","","","has coordinates","260510","2021-01-05","07:22:46",""
"7706258","13.1248","0.0002","13.1248","0.0002","14.3338","0.0002","90","","90","","90","","2469.15","0.06","100","0.1","100","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C26 H24 Cl2 Co Fe N6 O0.09 -","- C26 H24 Cl2 Co Fe N6 O0.092 -","- C104 H96 Cl8 Co4 Fe4 N24 O0.368 -","4","0.5","","Tupolova, Yulia P.; Shcherbakov, Igor N.; Popov, Leonid D.; Morgunov, Roman B.; Korchagin, Denis V.; Lebedev, Vladimir E.; Palii, Andrew V.; Aldoshin, Sergey M.","Field-induced SIM behaviour of a Co(II) complex with a 1,1'-diacetylferrocene-derived ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15592","15596","10.1039/d0dt02747b","","","0.7107","MoKα","","0.0298","0.0258","","","0.0598","0.0624","","","","","","1.061","","","","has coordinates","260511","2021-01-05","07:23:45",""
"7706259","19.6766","0.0016","10.0026","0.001","24.018","0.002","90","","92.308","0.004","90","","4723.3","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[((1-benzyl-2-methyl-3-(oxo-κO)-pyridine-4(1H)- thionato-κS)(η6-p-cymene) ruthenium(II)) iodide]","","- C47 H56 I2 N2 O3 Ru2 S2 -","- C47 H56 I2 N2 O3 Ru2 S2 -","- C188 H224 I8 N8 O12 Ru8 S8 -","4","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0815","0.0462","","","0.0808","0.0965","","","","","","0.993","","","","has coordinates","260512","2021-01-05","07:26:27",""
"7706260","10.107","0.002","11.107","0.002","12.096","0.002","90","","108.775","0.008","90","","1285.6","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","[(Thioatocarbonyldiamine-κS)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)](η6-p-cymene)ruthenium(II)] chloride","","- C24 H30 Cl N3 O Ru S2 -","- C24 H30 Cl N3 O Ru S2 -","- C48 H60 Cl2 N6 O2 Ru2 S4 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0671","0.0649","","","0.1821","0.1833","","","","","","1.171","","","","has coordinates","260512","2021-01-05","07:26:28",""
"7706261","9.5074","0.0002","10.0971","0.0003","13.5952","0.0004","74.306","0.0009","77.5332","0.0009","87.8246","0.0011","1226.53","0.06","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1,2-dimethyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η6-p-cymene)ruthenium(II)] hexafluorophosphate","","- C21 H28 F6 N3 O P Ru S -","- C21 H28 F6 N3 O P Ru S -","- C42 H56 F12 N6 O2 P2 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0455","0.0442","","","0.1079","0.1089","","","","","","1.029","","","","has coordinates,has disorder","260512","2021-01-05","07:26:28",""
"7706262","8.8476","0.0005","11.4425","0.0006","13.8462","0.0007","82.475","0.002","79.907","0.002","88.353","0.002","1368.17","0.13","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1,2-Dimethyl-3-oxo-κO-pyridine- 4(1H)-thionato-κS)(η6-p-cymene)ruhtenium(II)] hexafluorophosphate","","- C23 H34 F6 N4 O P2 Ru S -","- C23 H34 F6 N4 O P2 Ru S -","- C46 H68 F12 N8 O2 P4 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","1.54178","CuKα","","0.0283","0.0259","","","0.0655","0.0684","","","","","","1.058","","","","has coordinates,has disorder","260512","2021-01-05","07:26:29",""
"7706263","9.8382","0.0003","12.2093","0.0004","14.1367","0.0005","67.1738","0.0011","80.8485","0.0012","68.3017","0.0011","1453.94","0.08","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)] hexafluorophosphate","","- C27 H33 F6 N3 O P Rh S -","- C27 H33 F6 N3 O P Rh S -","- C54 H66 F12 N6 O2 P2 Rh2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0354","0.0278","","","0.0517","0.0565","","","","","","1.038","","","","has coordinates","260512","2021-01-05","07:26:29",""
"7706264","10.3415","0.0003","11.893","0.0003","13.3257","0.0004","67.105","0.001","88.028","0.001","76.623","0.001","1466.04","0.07","200","","200","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η6-p-cymene)ruhtenium(II)] hexafluorophosphate","","- C27 H32 F6 N3 O P Ru S -","- C27 H32 F6 N3 O P Ru S -","- C54 H64 F12 N6 O2 P2 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0439","0.0374","","","0.0927","0.0975","","","","","","1.099","","","","has coordinates","260512","2021-01-05","07:26:29",""
"7706265","9.802","0.0005","12.3228","0.0006","13.9774","0.0007","68.0585","0.0016","81.3239","0.0017","69.4402","0.0017","1465.89","0.13","150","","150","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)] hexafluorophosphate","","- C27 H33 F6 Ir N3 O P S -","- C27 H33 F6 Ir N3 O P S -","- C54 H66 F12 Ir2 N6 O2 P2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0395","0.0306","","","0.0591","0.063","","","","","","1.085","","","","has coordinates","260512","2021-01-05","07:26:31",""
"7706266","9.4865","0.0004","13.5259","0.0008","13.573","0.0008","68.784","0.002","84.539","0.003","78.2","0.003","1588.82","0.15","120","","120","","","","","","","","","8","P -1","-P 1","2","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1-benzyl-2-methyl-3-oxo-κO-pyridine- 4(1H)-thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)] hexafluorophosphate","","- C29 H39 F6 N4 O P2 Rh S -","- C29 H39 F6 N4 O P2 Rh S -","- C58 H78 F12 N8 O2 P4 Rh2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0495","0.0373","","","0.0793","0.0866","","","","","","1.053","","","","has coordinates","260512","2021-01-05","07:26:33",""
"7706267","8.7282","0.0005","16.3364","0.001","17.8947","0.0011","93.913","0.002","97.756","0.002","90.927","0.003","2521.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)] hexafluorophosphate","","- C21 H29 F6 N3 O P Rh S -","- C21 H29 F6 N3 O P Rh S -","- C84 H116 F24 N12 O4 P4 Rh4 S4 -","4","2","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0511","0.0429","","","0.1029","0.1097","","","","","","1.036","","","","has coordinates","260512","2021-01-05","07:26:33",""
"7706268","21.07","0.003","9.9943","0.0014","31.846","0.004","90","","99.318","0.005","90","","6617.6","1.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1,2-Dimethyl-3-oxo-κO-pyridine-4(1H)-thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)]hexafluorophosphate","","- C23 H34.5 F6 N4 O P2 Rh S -","- C23 H34.5 F6 N4 O P2 Rh S -","- C184 H276 F48 N32 O8 P16 Rh8 S8 -","8","2","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.1402","0.0732","","","0.1667","0.2061","","","","","","0.999","","","","has coordinates,has disorder","260512","2021-01-05","07:26:33",""
"7706269","12.3099","0.0003","12.4123","0.0004","14.4636","0.0004","65.2024","0.0011","70.4638","0.0011","77.004","0.0011","1881.42","0.09","120","","120","","","","","","","","","9","P -1","-P 1","2","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1-benzyl-2-methyl-3-oxo-κO-pyridine- 4(1H)-thionato-κS)(η6-p-cymene)ruthenium(II)] hexafluorophosphate","","- C31 H42 Cl4 F6 N4 O P2 Ru S -","- C31 H42 Cl4 F6 N4 O P2 Ru S -","- C62 H84 Cl8 F12 N8 O2 P4 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0335","0.0303","","","0.0732","0.0757","","","","","","0.997","","","","has coordinates,has disorder","260512","2021-01-05","07:26:34",""
"7706270","8.7704","0.0001","16.4092","0.0002","18.0771","0.0003","93.7892","0.0005","97.5756","0.0005","90.7492","0.0005","2572.6","0.06","300","","300","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1,2-dimethyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)] hexafluorophosphate","","- C21 H29 F6 Ir N3 O P S -","- C21 H29 F6 Ir N3 O P S -","- C84 H116 F24 Ir4 N12 O4 P4 S4 -","4","2","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0181","0.0166","","","0.0396","0.0404","","","","","","1.053","","","","has coordinates,has disorder","260512","2021-01-05","07:26:36",""
"7706271","9.568","","9.568","","37.542","","90","","90","","120","","2976.39","","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Bi4 I6 O24 Se -","- Bi4 I6 O24 Se -","- Bi24 I36 O144 Se6 -","6","0.333333","","Mao, Fei-Fei; Hu, Jin-Yu; Li, Bing-Xuan; Wu, Hua","Bi<sub>4</sub>O(I<sub>3</sub>O<sub>10</sub>)(IO<sub>3</sub>)<sub>3</sub>(SeO<sub>4</sub>): trimeric condensation of IO<sub>4</sub><sup>3-</sup> monomers into the I<sub>3</sub>O<sub>10</sub><sup>5-</sup> polymeric anion observed in a three-component mixed-anion NLO material.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15597","15601","10.1039/d0dt03399e","","","0.71073","MoKα","","0.052","0.0464","","","0.0959","0.0997","","","","","","1.097","","","","has coordinates","260513","2021-01-05","07:28:03",""
"7706272","18.0487","0.0005","18.0487","0.0005","36.3959","0.0011","90","","90","","120","","10267.7","0.5","150","2","150","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C19 H23 Cu N3 O9 -","- C14 H6 Cu N O7 -","- C252 H108 Cu18 N18 O126 -","18","1","","Jiang, Zhenzhen; Fan, Lihui; Zhou, Ping; Xu, Tingting; Chen, Jingxian; Hu, Simin; Chen, De-Li; He, Yabing","An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate framework for the selective capture of C<sub>2</sub>H<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15672","15681","10.1039/d0dt03067h","","","0.71073","MoKα","","0.0263","0.0241","","","0.0669","0.0682","","","","","","1.004","","","","has coordinates","260514","2021-01-05","07:28:33",""
"7706273","10.608","0.009","17.057","0.015","10.701","0.009","90","","90.415","0.011","90","","1936","3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKa","","0.086","0.0559","","","0.1309","0.1455","","","","","","0.955","","","","has coordinates","260515","2021-01-05","07:29:28",""
"7706274","10.85","0.002","17.085","0.004","11.085","0.003","90","","94.362","0.016","90","","2048.9","0.8","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 F6 Mn2 N12 O6 P -","- C30 H42 F6 Mn2 N12 O6 P -","- C60 H84 F12 Mn4 N24 O12 P2 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","1.54178","CuKα","","0.1846","0.1227","","","0.2936","0.3399","","","","","","1.074","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706275","10.308","0.003","17.943","0.005","11.085","0.003","90","","94.077","0.003","90","","2045.1","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKa","","0.0791","0.0582","","","0.1252","0.1302","","","","","","0.866","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706276","10.532","0.002","17.537","0.004","10.786","0.002","90","","93.607","0.002","90","","1988.2","0.7","252","2","252","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKα","","0.0826","0.0526","","","0.1233","0.1386","","","","","","1.013","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706277","11.629","0.002","20.973","0.004","14.17","0.003","90","","90","","90","","3456","1.2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Eu O22.5 U5.5 -","- Eu O22.5 U5.5 -","- Eu8 O180 U44 -","8","1","","Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun","Uranyl oxide hydrate frameworks with lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15854","15863","10.1039/d0dt02944k","","","0.71089","silicondoublecrystalmonochromatedsynchrotron","","0.039","0.0384","","","0.1028","0.1032","","","","","","1.122","","","","has coordinates,has disorder","260516","2021-01-05","07:30:12",""
"7706278","11.624","0.002","20.972","0.004","14.181","0.003","90","","90","","90","","3457","1.2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Gd O22 U5.5 -","- Gd O22 U5.5 -","- Gd8 O176 U44 -","8","1","","Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun","Uranyl oxide hydrate frameworks with lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15854","15863","10.1039/d0dt02944k","","","0.71089","silicondoublecrystalmonochromatedsynchrotron","","0.0435","0.0431","","","0.1129","0.1136","","","","","","1.094","","","","has coordinates","260516","2021-01-05","07:30:12",""
"7706279","10.923","0.0009","28.185","0.003","14.6929","0.0013","90","","90.176","0.002","90","","4523.4","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O8 Rh2 S -","- C19 H24 N2 O8 Rh2 S -","- C152 H192 N16 O64 Rh16 S8 -","8","4","","Cressy, Derek; Zavala, Cristian; Abshire, Anthony; Sheffield, William; Darko, Ampofo","Tuning Rh(II)-catalysed cyclopropanation with tethered thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15779","15787","10.1039/d0dt03019h","","","0.71073","MoKα","","0.0311","0.028","","","0.064","0.066","","","","","","1.0607","","","","has coordinates","260517","2021-01-05","07:31:00",""
"7706280","12.651","0.005","14.796","0.005","18.256","0.005","81.941","0.005","84.184","0.005","74.672","0.005","3255.7","1.9","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H48 Cl4 Cu2 F6 N12 O6 S2 -","- C62 H48 Cl4 Cu2 F6 N12 O6 S2 -","- C124 H96 Cl8 Cu4 F12 N24 O12 S4 -","2","1","","Suntrup, Lisa; Beerhues, Julia; Etzold, Oliver; Sarkar, Biprajit","Copper(I) complexes bearing mesoionic carbene ligands: influencing the activity in catalytic halo-click reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15504","15510","10.1039/d0dt02023k","","","0.71069","MoKα","","0.0657","0.0483","","","0.1292","0.1459","","","","","","1.038","","","","has coordinates","260518","2021-01-05","07:31:45",""
"7706281","14.906","0.005","15.174","0.005","15.306","0.005","81.103","0.005","88.574","0.005","84.738","0.005","3406","2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H57 Ag2 F6 N14 O7 S2 -","- C68 H57 Ag2 F6 N14 O7 S2 -","- C136 H114 Ag4 F12 N28 O14 S4 -","2","1","","Suntrup, Lisa; Beerhues, Julia; Etzold, Oliver; Sarkar, Biprajit","Copper(I) complexes bearing mesoionic carbene ligands: influencing the activity in catalytic halo-click reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15504","15510","10.1039/d0dt02023k","","","0.71069","MoKα","","0.0933","0.074","","","0.2124","0.2258","","","","","","1.131","","","","has coordinates","260518","2021-01-05","07:31:46",""
"7706282","10.3912","0.0006","13.1366","0.0007","10.9967","0.0006","90","","100.438","0.006","90","","1476.26","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H38 N10 O2 Zn2 -","- C26 H38 N10 O2 Zn2 -","- C52 H76 N20 O4 Zn4 -","2","1","","Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman","Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15481","15503","10.1039/d0dt02941f","","","0.71073","MoKα","","0.0922","0.0691","","","0.1725","0.1935","","","","","","1.081","","","","has coordinates,has disorder","260519","2021-01-05","07:33:38",""
"7706283","15.8942","0.0002","12.7087","0.0001","22.4115","0.0002","90","","110.455","0.001","90","","4241.56","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 N16 O5 Zn3 -","- C30 H46 N16 O4 Zn3 -","- C120 H184 N64 O16 Zn12 -","4","1","","Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman","Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15481","15503","10.1039/d0dt02941f","","x-ray","1.54184","CuKα","","0.0329","0.0314","","","0.0876","0.0889","","","","","","1.0445","","","","has coordinates","260519","2021-01-05","07:33:39",""
"7706284","8.6538","0.0003","11.4042","0.0004","16.5963","0.0006","91.457","0.001","97.082","0.001","102.601","0.001","1583.92","0.1","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H19 B Cl F15 Fe O3 P2 -","- C27 H19 B Cl F15 Fe O3 P2 -","- C54 H38 B2 Cl2 F30 Fe2 O6 P4 -","2","1","","Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.","Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15184","15189","10.1039/d0dt03551c","","x-ray","0.71073","MoKα","","0.1215","0.0592","","","0.0903","0.1133","","","","","","1.059","","","","has coordinates","260520","2021-01-05","07:35:00",""
"7706285","12.4374","0.0009","14.0427","0.0009","15.3107","0.001","84.826","0.002","83.992","0.003","80.351","0.003","2614.6","0.3","100","2","99.92","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H25.5 B2 F30.5 Fe O4 P2 -","- C51 H25.5 B2 F30.5 Fe O4 P2 -","- C102 H51 B4 F61 Fe2 O8 P4 -","2","1","","Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.","Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15184","15189","10.1039/d0dt03551c","","x-ray","0.71073","MoKα","","0.0769","0.0439","","","0.0964","0.1168","","","","","","1.032","","","","has coordinates,has disorder","260520","2021-01-05","07:35:03",""
"7706286","12.5412","0.0004","13.0207","0.0004","21.9702","0.0007","90","","90.14","0.001","90","","3587.6","0.2","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 B F15 Fe O3 P2 S -","- C33 H24 B F15 Fe O3 P2 S -","- C132 H96 B4 F60 Fe4 O12 P8 S4 -","4","1","","Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.","Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15184","15189","10.1039/d0dt03551c","","x-ray","0.71073","MoKα","","0.0604","0.037","","","0.071","0.0841","","","","","","1.083","","","","has coordinates","260520","2021-01-05","07:35:15",""
"7706287","5.9302","0.0001","20.8486","0.0004","12.2568","0.0003","90","","93.582","0.002","90","","1512.43","0.05","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl Cu N3 O S -","- C13 H16 Cl Cu N3 O S -","- C52 H64 Cl4 Cu4 N12 O4 S4 -","4","1","","Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis","Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15461","15472","10.1039/d0dt02784g","","","0.71073","MoKα","","0.0623","0.0389","","","0.0745","0.0844","","","","","","1.037","","","","has coordinates","260521","2021-01-05","07:36:23",""
"7706288","20.7663","0.0017","9.44","0.0007","7.581","0.0007","90","","98.352","0.006","90","","1470.4","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl Cu N5 O -","- C12 H18 Cl Cu N5 O -","- C48 H72 Cl4 Cu4 N20 O4 -","4","1","","Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis","Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15461","15472","10.1039/d0dt02784g","","","0.71073","MoKα","","0.1433","0.0978","","","0.2835","0.3251","","","","","","1.0915","","","","has coordinates","260521","2021-01-05","07:36:23",""
"7706289","13.1","0.02","8.63","0.014","13.62","0.02","90","","97.62","0.04","90","","1526","4","290","2","290.29","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl Cu N5 O -","- C12 H16 Cl Cu N5 O -","- C48 H64 Cl4 Cu4 N20 O4 -","4","1","","Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis","Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15461","15472","10.1039/d0dt02784g","","","0.71073","MoKα","","0.1187","0.0504","","","0.1099","0.1429","","","","","","1.1214","","","","has coordinates","260521","2021-01-05","07:36:23",""
"7706290","11.1577","0.0003","15.6772","0.0003","25.97","0.0007","90","","97.025","0.002","90","","4508.61","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.33 H18 Br4 Co N6.67 S2 -","- C23.3333 H18 Br4 Co N6.66667 S2 -","- C140 H108 Br24 Co6 N40 S12 -","6","1.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0561","0.048","","","0.1235","0.1298","","","","","","1.033","","","","has coordinates","260522","2021-01-05","07:37:44",""
"7706291","10.6039","0.0003","12.2963","0.0005","7.5145","0.0004","90","","109.444","0.003","90","","923.93","0.07","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Co N4 O2 S2 -","- C12 H12 Br2 Co N4 O2 S2 -","- C24 H24 Br4 Co2 N8 O4 S4 -","2","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.046","0.0419","","","0.104","0.1056","","","","","","1.171","","","","has coordinates","260522","2021-01-05","07:37:51",""
"7706292","8.2037","0.0003","13.7945","0.0007","18.9686","0.0008","90","","91.518","0.003","90","","2145.85","0.16","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br2 Co N6 S2 -","- C16 H14 Br2 Co N6 S2 -","- C64 H56 Br8 Co4 N24 S8 -","4","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0793","0.0756","","","0.169","0.1715","","","","","","1.234","","","","has coordinates","260522","2021-01-05","07:37:53",""
"7706293","10.8822","0.0004","9.3042","0.0004","7.6492","0.0006","90","","95.274","0.004","90","","771.2","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C24 H16 Br4 Co2 N8 S4 -","2","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0387","0.0338","","","0.0876","0.0905","","","","","","1.08","","","","has coordinates","260522","2021-01-05","07:37:56",""
"7706294","6.8581","0.0004","7.6865","0.0005","10.2102","0.0006","73.836","0.005","80.371","0.005","79.875","0.005","504.9","0.06","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 Br2 Co N4 O2 S2 -","- C14 H16 Br2 Co N4 O2 S2 -","- C14 H16 Br2 Co N4 O2 S2 -","1","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0423","0.0335","","","0.0799","0.0828","","","","","","1.075","","","","has coordinates","260522","2021-01-05","07:37:56",""
"7706295","8.0951","0.0003","9.4346","0.0004","10.8479","0.0004","73.304","0.003","83.016","0.003","80.318","0.003","779.91","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C24 H16 Br4 Co2 N8 S4 -","2","1","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0403","0.0325","","","0.0817","0.085","","","","","","1.056","","","","has coordinates","260522","2021-01-05","07:37:56",""
"7706296","7.5092","0.0002","10.8694","0.0003","15.5717","0.0003","100.253","0.002","102.1","0.002","108.802","0.003","1134.27","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Br Cr O6 S2 -","- C20 H19 Br Cr O6 S2 -","- C40 H38 Br2 Cr2 O12 S4 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","1.54184","CuKα","","0.0769","0.071","","","0.1827","0.1867","","","","","","1.084","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706297","7.4467","0.0004","10.7958","0.0005","12.3241","0.0006","75.914","0.001","75.794","0.002","70.56","0.001","891.44","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 O6 S2 W -","- C16 H12 O6 S2 W -","- C32 H24 O12 S4 W2 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0226","0.0205","","","0.0517","0.0524","","","","","","1.012","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706298","7.4276","0.0004","10.7016","0.0006","12.2391","0.0006","74.238","0.002","75.469","0.002","71.41","0.002","872.91","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cr O6 S2 -","- C16 H12 Cr O6 S2 -","- C32 H24 Cr2 O12 S4 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0293","0.0235","","","0.0588","0.0608","","","","","","1.042","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706299","7.1185","0.0006","9.6691","0.0008","10.7876","0.0009","92.975","0.003","96.209","0.003","103.001","0.003","717","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cr2 O12 S2 -","- C26 H20 Cr2 O12 S2 -","- C26 H20 Cr2 O12 S2 -","1","0.5","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0482","0.0278","","","0.0624","0.0667","","","","","","1.033","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706300","11.0377","0.0011","12.018","0.0011","16.5239","0.0016","69.06","0.003","74.437","0.003","77.654","0.003","1955.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 O12 S3 W2 -","- C37 H29 O12 S3 W2 -","- C74 H58 O24 S6 W4 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0334","0.0289","","","0.0757","0.078","","","","","","1.066","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706301","10.7421","0.0013","16.0557","0.0018","21.988","0.003","101.964","0.004","99.888","0.004","103.629","0.004","3507.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.85 H22.85 Cr2 O12 S3 -","- C30.991 H22.782 Cr2 O12 S3 -","- C123.964 H91.128 Cr8 O48 S12 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0939","0.0706","","","0.1685","0.1778","","","","","","1.122","","","","has coordinates,has disorder","260524","2021-01-05","07:41:02",""
"7706302","14.0051","0.0014","14.7298","0.0013","22.535","0.002","83.978","0.005","85.573","0.005","88.147","0.006","4608","0.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H47 I23 N33 O2 P Sn6 -","- C22 H47 I23 N33 O2 P Sn6 -","- C44 H94 I46 N66 O4 P2 Sn12 -","2","1","","McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Variable dimensionality in 'hollow' hybrid tin iodide perovskites.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15171","15174","10.1039/d0dt03449e","","","0.71075","MoKα","","0.0618","0.0593","","","0.1381","0.1392","","","","","","1.128","","","","has coordinates,has disorder","260525","2021-01-05","07:42:06",""
"7706303","6.403","0.004","14.2301","0.001","14.68","0.011","91.42","0.03","93.54","0.03","90.1","0.03","1334.6","1.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 I7 N9 Sn2 -","- I7 Sn2 -","- I14 Sn4 -","2","1","","McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Variable dimensionality in 'hollow' hybrid tin iodide perovskites.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15171","15174","10.1039/d0dt03449e","","","0.71075","MoKα","","0.2032","0.1758","","","0.4679","0.49","","","","","","1.837","","","","has coordinates","260525","2021-01-05","07:42:06",""
"7706304","16.423","0.0004","11.4174","0.0003","34.1386","0.0007","90","","102.649","0.002","90","","6245.9","0.3","297","","297","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C23 H23 Eu N4 O11 -","- C23 H23 Eu N4 O11 -","- C184 H184 Eu8 N32 O88 -","8","1","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.0469","0.0405","","","0.1094","0.114","","","","","","1.059","","","","has coordinates,has disorder","260526","2021-01-05","07:43:11",""
"7706305","10.8561","0.0005","14.9304","0.0007","19.0399","0.0009","74.9102","0.0004","79.6702","0.0004","80.0399","0.0004","2905.4","0.2","271.2","0.1","271.2","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H67 Dy4 N9 O47 -","- C102 H67 Dy4 N9 O47 -","- C102 H67 Dy4 N9 O47 -","1","0.5","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.0896","0.0626","","","0.1685","0.1899","","","","","","1.054","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706306","16.5848","0.0003","11.528","0.0003","33.9909","0.0007","90","","102.198","0.0018","90","","6352","0.2","297","","297","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C23 H23 N4 Nd O11 -","- C23 H23 N4 Nd O11 -","- C184 H184 N32 Nd8 O88 -","8","1","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.079","0.0728","","","0.2117","0.2228","","","","","","1.056","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706307","10.951","0.0005","14.931","0.0009","19.1539","0.0012","74.153","0.005","79.198","0.005","80.098","0.005","2935.2","0.3","278.76","0.1","278.76","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H67 N9 O47 Sm4 -","- C102 H67 N9 O47 Sm4 -","- C102 H67 N9 O47 Sm4 -","1","0.5","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.0742","0.0609","","","0.1619","0.1736","","","","","","1.041","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706308","10.9059","0.0005","15.0573","0.0012","19.0395","0.0006","73.965","0.005","79.657","0.003","80.859","0.005","2936.3","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H65 Eu4 N9 O46.5 -","- C102 H65 Eu4 N9 O46.5 -","- C102 H65 Eu4 N9 O46.5 -","1","0.5","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.1116","0.0838","","","0.2267","0.2575","","","","","","1.039","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706309","12.6634","0.0009","15.103","0.0009","19.1877","0.0012","93.198","0.005","97.777","0.006","103.745","0.006","3517.1","0.4","130","","130","","","","","","","","","10","P -1","-P 1","2","","","","- C70 H24 Au Cl0 F33 Fe3 N3 O3 P3 S -","- C70 H24 Au F33 Fe3 N3 O3 P3 S -","- C140 H48 Au2 F66 Fe6 N6 O6 P6 S2 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.2352","0.0987","","","0.1491","0.1973","","","","","","0.978","","","","has coordinates","260527","2021-01-05","07:48:27",""
"7706310","12.7215","0.0007","15.1519","0.0009","19.1988","0.0013","93.368","0.005","98.006","0.005","103.392","0.005","3549","0.4","130","","130","","","","","","","","","10","P -1","-P 1","2","","","","- C71 H25.75 Ag Cl F33 Fe3 N3 O3 P3 S -","- C71 H26 Ag Cl F33 Fe3 N3 O3 P3 S -","- C142 H52 Ag2 Cl2 F66 Fe6 N6 O6 P6 S2 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.2439","0.1018","","","0.1684","0.2266","","","","","","1.011","","","","has coordinates,has disorder","260527","2021-01-05","07:48:28",""
"7706311","23.1998","0.0004","16.4337","0.0002","23.6527","0.0003","90","","107.834","0.002","90","","8584.5","0.2","130","","130","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H97 Au F3 Fe3 O8 P3 S -","- C93 H97 Au F3 Fe3 O8 P3 S -","- C372 H388 Au4 F12 Fe12 O32 P12 S4 -","4","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.0743","0.0397","","","0.0788","0.0922","","","","","","0.991","","","","has coordinates","260527","2021-01-05","07:48:28",""
"7706312","12.4778","0.0002","23.4172","0.0006","27.2317","0.0007","70.125","0.002","84.26","0.002","89.076","0.002","7444.1","0.3","130","","130","","","","","","","","","10","P -1","-P 1","2","","","","- C156.5 H127.5 Au3 Cl0 F3 Fe6 N6 O3 P6 S -","- C156.5 H127.5 Au3 F3 Fe6 N6 O3 P6 S -","- C313 H255 Au6 F6 Fe12 N12 O6 P12 S2 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.1285","0.076","","","0.1621","0.1861","","","","","","1.023","","","","has coordinates,has disorder","260527","2021-01-05","07:48:28",""
"7706313","14.1825","0.0002","19.1612","0.0003","31.3978","0.0006","80.713","0.002","84.878","0.001","85.819","0.001","8372.1","0.2","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C147 H108 Au3 F15 Fe6 O9 P6 S3 -","- C147 H108 Au3 F15 Fe6 O9 P6 S3 -","- C294 H216 Au6 F30 Fe12 O18 P12 S6 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.0665","0.0436","","","0.0905","0.097","","","","","","1.049","","","","has coordinates,has disorder","260527","2021-01-05","07:48:28",""
"7706314","12.6182","0.0002","23.5315","0.0004","27.2516","0.0007","69.34","0.002","83.591","0.002","88.26","0.001","7523.6","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C153 H122 Au3 F6 Fe6 N0 O6 P6 S2 -","- C151 H122 Au3 Fe6 P6 -","- C302 H244 Au6 Fe12 P12 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.1062","0.059","","","0.1168","0.1341","","","","","","1.003","","","","has coordinates","260527","2021-01-05","07:48:28",""
"8000395","7.8696","0.0003","7.664","0.0002","22.6439","0.0007","90","","90","","90","","1365.71","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br4 Cd F4 N2 -","- C4 H12 Br4 Cd F4 N2 -","- C16 H48 Br16 Cd4 F16 N8 -","4","0.5","","Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.","Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying.","The journal of physical chemistry letters","2020","11","1","199","205","10.1021/acs.jpclett.9b03213","","x-ray","1.54184","CuKα","","0.0383","0.0373","","","0.1067","0.108","","","","","","1.092","","","","has coordinates","246583","2020-10-21","18:00:00",""
"8000396","7.54153","0.00019","12.0777","0.0004","45.1161","0.0016","90","","90","","90","","4109.4","0.2","295.65","0.1","295.65","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54184","CuKα","","0.0551","0.0418","","","0.0992","0.108","","","","","","1.016","","","","has coordinates","247448","2020-10-21","18:00:00",""
"8000397","7.54722","0.00004","12.06809","0.00005","45.0822","0.0002","90","","90","","90","","4106.11","0.03","294.7","0.2","294.7","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54178","CuKα","","0.0298","0.0295","","","0.0738","0.074","","","","","","1.095","","","","has coordinates","247449","2020-10-21","18:00:00",""
"8000398","7.5502","0.0001","15.2672","0.0001","30.9195","0.00007","80.2982","0.0007","89.4414","0.0007","87.9701","0.0007","3510.9","0.05","50","","50","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C160 H80 Cl16 N16 O8 S16 -","4","2","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","1","synchrotron","","0.053","0.0484","","","0.1494","0.1526","","","","","","1.106","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000399","7.1738","0.0001","7.6722","0.0001","21.6585","0.0007","96.19","0.0007","98.569","0.0007","92.3536","0.0007","1169.9","0.04","50","","50","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","1","synchrotron","","0.0613","0.0561","","","0.1718","0.1769","","","","","","1.125","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000400","7.6289","0.0004","7.701","0.0004","30.698","0.0017","85.794","0.0008","89.5306","0.0009","88.5438","0.0009","1798.04","0.17","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.052","0.0411","","","0.1024","0.1089","","","","","","1.053","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000401","7.6555","0.0005","7.6969","0.0005","15.9629","0.001","98.1455","0.001","93.3158","0.0009","92.2872","0.001","928.44","0.1","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0359","0.0298","","","0.0807","0.0859","","","","","","1.032","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000402","7.5809","0.0006","15.1973","0.0012","17.0179","0.0014","67.017","0.001","82.633","0.001","87.047","0.001","1790.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C76 H32 Cl16 O8 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0315","0.0246","","","0.0669","0.0709","","","","","","1.046","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000403","7.3358","0.0008","7.7383","0.0008","21.822","0.002","96.2006","0.0016","98.4849","0.0017","93.0166","0.0017","1215.1","0.2","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0383","0.0326","","","0.0871","0.0917","","","","","","1.027","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000404","7.5963","0.0004","7.6826","0.0004","30.6464","0.0017","85.5932","0.0008","89.6875","0.0009","88.448","0.0008","1782.55","0.16","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0439","0.0375","","","0.0903","0.094","","","","","","1.068","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000405","7.5923","0.0004","7.6803","0.0004","30.6429","0.0017","85.5655","0.0008","89.7179","0.0009","88.4239","0.0008","1780.79","0.16","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0424","0.0362","","","0.0877","0.0912","","","","","","1.077","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000406","7.5852","0.0005","7.6749","0.0005","30.624","0.0018","85.5563","0.0009","89.7552","0.001","88.3859","0.0009","1776.7","0.2","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0415","0.036","","","0.0863","0.0892","","","","","","1.086","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000407","7.5797","0.0004","7.6692","0.0004","30.6092","0.0017","85.6093","0.0008","89.79","0.0009","88.3051","0.0008","1773.32","0.16","220","","220","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0408","0.0356","","","0.0859","0.089","","","","","","1.082","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000408","7.5747","0.0004","7.6588","0.0004","30.5803","0.0016","85.7079","0.0008","89.8361","0.0009","88.1942","0.0008","1768.2","0.16","210","","210","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0404","0.0355","","","0.0851","0.0881","","","","","","1.072","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000409","7.5681","0.0004","7.6518","0.0004","30.5589","0.0016","85.7256","0.0008","89.8676","0.0009","88.1423","0.0008","1763.8","0.16","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0391","0.0347","","","0.0832","0.0859","","","","","","1.07","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000410","7.5454","0.0004","7.6338","0.0004","30.5119","0.0016","85.5906","0.0007","89.9846","0.0008","88.0361","0.0008","1751.25","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0349","0.0317","","","0.0755","0.0776","","","","","","1.079","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000411","7.531","0.0004","15.22","0.0008","30.7947","0.0016","80.415","0.001","89.44","0.001","88.111","0.001","3478.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C160 H80 Cl16 N16 O8 S16 -","4","2","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0416","0.0355","","","0.0934","0.0971","","","","","","1.047","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000412","7.6224","0.0005","7.6188","0.0006","15.8758","0.0012","97.7456","0.0012","93.2272","0.0012","92.4714","0.0012","910.9","0.12","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0294","0.0249","","","0.0641","0.0669","","","","","","1.04","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000413","7.6001","0.0005","15.2128","0.0011","17.0597","0.0012","67.0648","0.0011","82.4814","0.0012","87.1754","0.0012","1800.9","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C76 H32 Cl16 O8 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0375","0.0277","","","0.0725","0.0783","","","","","","1.029","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000414","7.1814","0.0006","7.674","0.0006","21.6396","0.0017","96.108","0.001","98.58","0.001","92.34","0.001","1170.57","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0262","0.0248","","","0.0651","0.0661","","","","","","1.035","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000415","7.3855","0.0002","9.2351","0.0003","24.6276","0.0008","90","","90","","90","","1679.75","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Xue, Shixin; Zhang, Nan; Hu, Xiaoling; Zeng, Yongfei; Zhang, Jingbo; Xing, Pengyao; Zhao, Yanli","Self-Assembly Evolution of <i>N</i>-Terminal Aromatic Amino Acids with Transient Supramolecular Chirality.","The journal of physical chemistry letters","2020","11","4","1490","1496","10.1021/acs.jpclett.0c00033","","","1.54178","CuKα","","0.0324","0.0315","","","0.0777","0.0787","","","","","","1.083","","","","has coordinates","248718","2020-10-21","18:00:00",""
"8000416","14.341","0.0005","14.341","0.0005","14.341","0.0005","90","","90","","90","","2949.43","0.18","348","2","348","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C16 H0 B8 F32 N5.33 Rb2.67 -","- C16 B8 F32 N5.33387 Rb2.66667 -","- C48 B24 F96 N16.0016 Rb8 -","3","0.015625","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0543","0.0514","","","0.131","0.134","","","","","","1.167","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000417","14.2205","0.0003","14.2205","0.0003","14.2205","0.0003","90","","90","","90","","2875.71","0.11","273","2","273","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C6 H18 B3 F12 N3 -","- C6 H18 B3 F12 N3 -","- C48 H144 B24 F96 N24 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0386","0.0338","","","0.0881","0.0907","","","","","","1.09","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000418","14.3006","0.0004","14.3006","0.0004","14.3006","0.0004","90","","90","","90","","2924.58","0.14","358","2","358","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C48 H0 B24 F96 N24 -","- C48 B24 F96 N24.0016 -","- C48 B24 F96 N24.0016 -","1","0.00520833","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.1324","0.1303","","","0.488","0.4938","","","","","","1.228","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000419","14.2492","0.0002","14.2492","0.0002","14.2492","0.0002","90","","90","","90","","2893.15","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Rb -","- C6 H14 B3 F12 N2 Rb -","- C48 H112 B24 F96 N16 Rb8 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0832","0.0528","","","0.1153","0.1275","","","","","","1.082","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000420","24.8035","0.0006","7.9768","0.0002","14.8847","0.0003","90","","121.21","0.002","90","","2518.76","0.11","298.5","","298.5","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Cl8 N4 Sn -","- C12 H32 Cl8 N4 Sn -","- C48 H128 Cl32 N16 Sn4 -","4","0.5","","Song, Gaomin; Li, Mingze; Yang, Yi; Liang, Fei; Huang, Qian; Liu, Xiaomeng; Gong, Pifu; Xia, Zhiguo; Lin, Zheshuai","Lead-Free Tin(IV)-Based Organic-Inorganic Metal Halide Hybrids with Excellent Stability and Blue-Broadband Emission.","The journal of physical chemistry letters","2020","","","1808","1813","10.1021/acs.jpclett.0c00096","","","0.71073","MoKα","","0.0229","0.0206","","","0.0472","0.048","","","","","","1.048","","","","has coordinates","248715","2020-10-21","18:00:00",""
"8000421","13.6905","0.0009","19.3639","0.0013","28.2678","0.0019","90","","97.376","0.002","90","","7431.8","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67.28 H51.67 Cl1.19 N4 O12.68 Zn -","- C67.2725 H51.6405 Cl1.198 N4 O12.6735 Zn -","- C269.09 H206.562 Cl4.792 N16 O50.694 Zn4 -","4","2","","Margarit, Charles G.; Asimow, Naomi G.; Gonzalez, Miguel I.; Nocera, Daniel G.","Double Hangman Iron Porphyrin and the Effect of Electrostatic Nonbonding Interactions on Carbon Dioxide Reduction.","The journal of physical chemistry letters","2020","","","1890","1895","10.1021/acs.jpclett.9b03897","","","0.71073","MoKα","","0.0905","0.0755","","","0.2128","0.2286","","","","","","1.052","","","","has coordinates,has disorder","248716","2020-10-21","18:00:00",""
"8000422","25.5422","0.0007","10.3454","0.0005","34.6772","0.0012","90","","90","","90","","9163.3","0.6","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 Cu3 N9 -","- C24 H18 Cu3 N9 -","- C384 H288 Cu48 N144 -","16","4","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.0856","0.0677","","","0.1839","0.232","","","","","","1.033","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000423","25.6853","0.0011","10.4956","0.0003","35.037","0.002","90","","90","","90","","9445.4","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C96 H73 Cu12 N36 -","- C96 H73 Cu12 N36 -","- C384 H292 Cu48 N144 -","4","1","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.1347","0.059","","","0.0854","0.1196","","","","","","0.971","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000424","11.592","0.0002","8.3296","0.0001","25.2621","0.0004","90","","102.944","0.002","90","","2377.24","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Ag6 N18 -","- C48 H36 Ag6 N18 -","- C96 H72 Ag12 N36 -","2","0.5","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0709","0.0725","","","","","","1.155","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000425","11.5674","0.0005","8.5459","0.0004","25.4385","0.0013","90","","103.077","0.005","90","","2449.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Ag6 N18 -","- C48 H36 Ag6 N18 -","- C96 H72 Ag12 N36 -","2","0.5","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","0.71073","MoKα","","0.0984","0.0449","","","0.058","0.0759","","","","","","1.011","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000426","7.1324","0.0001","18.7836","0.0002","18.9897","0.0002","89.437","0.001","79.51","0.001","88.405","0.001","2500.57","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H48 Cu6 N18 O3 -","- C51 H48 Cu6 N18 O3 -","- C102 H96 Cu12 N36 O6 -","2","1","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","","1.54178","CuKα","","0.0463","0.0432","","","0.1214","0.1237","","","","","","1.057","","","","has coordinates,has disorder","248623","2020-10-21","18:00:00",""
"8000427","7.214","0.0004","18.8723","0.0005","19.0253","0.0005","89.557","0.002","80.608","0.004","89.749","0.004","2555.38","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Cu3 N9 -","- C24 H18 Cu3 N9 -","- C96 H72 Cu12 N36 -","4","2","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.0553","0.0453","","","0.1351","0.141","","","","","","1.08","","","","has coordinates,has disorder","248623","2020-10-21","18:00:00",""
"8000428","8.4804","0.0002","24.4406","0.0006","7.9107","0.0002","90","","90","","90","","1639.62","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C32 H80 Br16 N8 Pb4 -","4","0.5","","Su, Binbin; Molokeev, Maxim S.; Xia, Zhiguo","Unveiling Mn<sup>2+</sup> Dopant States in Two-Dimensional Halide Perovskite toward Highly Efficient Photoluminescence.","The journal of physical chemistry letters","2020","11","7","2510","2517","10.1021/acs.jpclett.0c00593","","","1.54184","CuKα","","0.0302","0.0299","","","0.0861","0.0863","","","","","","1.095","","","","has coordinates","250119","2020-10-21","18:00:00",""
"8000429","9.6818","0.0002","15.8107","0.0003","26.3785","0.0004","90","","90","","90","","4037.92","0.13","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0632","0.0569","","","0.1594","0.1754","","","","","","1.142","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000430","11.0166","0.0002","12.3581","0.0003","22.5772","0.0006","90","","90","","90","","3073.76","0.12","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.1566","0.1435","","","0.3263","0.335","","","","","","1.117","","","","has coordinates,has disorder","252623","2020-10-21","18:00:00",""
"8000431","11.0155","0.0002","12.3587","0.0003","22.5754","0.0005","90","","90","","90","","3073.35","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","","1.54178","CuKα","","0.1411","0.1365","","","0.3295","0.3326","","","","","","1.088","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000432","9.6682","0.0001","15.8378","0.0002","26.3801","0.0003","90","","90","","90","","4039.4","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0401","0.0382","","","0.1115","0.1146","","","","","","1.13","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000433","26.564","0.002","26.692","0.002","33.045","0.003","90","","106.652","0.005","90","","22448","3","170","2","170.03","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","1","0.25","","Li, Hao; Zhai, Hongsheng; Zhou, Chuanjun; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou","Atomically Precise Copper Cluster with Intensely Near-Infrared Luminescence and Its Mechanism.","The journal of physical chemistry letters","2020","11","12","4891","4896","10.1021/acs.jpclett.0c01358","","","1.3418","GaKα","","0.2808","0.1973","","","0.4676","0.5036","","","","","","1.342","","","","has coordinates","253751","2020-10-21","18:00:00",""
"8000434","5.4967","0.0003","13.8112","0.0006","19.849","0.0009","90","","90","","90","","1506.86","0.13","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-Iodobenzyl)-9H-Carbazole","9-(4-Iodobenzyl)-9H-Carbazole","","- C19 H14 I N -","- C19 H14 I N -","- C76 H56 I4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0328","0.0274","","","0.0616","0.0656","","","","","","1.046","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000435","5.5364","0.0006","13.6786","0.0014","19.513","0.002","90","","90","","90","","1477.7","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-bromobenzyl)-9H-carbazole","9-(4-bromobenzyl)-9H-carbazole","","- C19 H14 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0457","0.0312","","","0.071","0.0766","","","","","","1.021","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000436","8.4897","0.0006","10.6452","0.0006","30.8917","0.0019","90","","90","","90","","2791.8","0.3","100","2","100.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C136 H128 F8 N8 O16 -","8","1","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.0672","0.0541","","","0.1375","0.1457","","","","","","1.063","","","","has coordinates","253500","2020-10-21","18:00:00",""
"8000437","15.4183","0.0016","12.1852","0.0012","7.8546","0.0008","90","","104.549","0.004","90","","1428.4","0.3","216","","216","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.34 H2.21 F0.14 N0.14 O0.28 -","- C2.34483 H2.2069 F0.137931 N0.137931 O0.275862 -","- C68 H64 F4 N4 O8 -","29","7.25","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.1168","0.0673","","","0.1864","0.2464","","","","","","1.1","","","","has coordinates","253501","2020-10-21","18:00:00",""
"8000438","10.913","0.0007","11.7943","0.0007","11.5984","0.0006","90","","111.525","0.002","90","","1388.73","0.14","104","2","104.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C68 H64 F4 N4 O8 -","4","1","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.1079","0.0849","","","0.2365","0.2662","","","","","","1.04","","","","has coordinates","253502","2020-10-21","18:00:00",""
"8000439","11.0806","0.0001","15.6633","0.0001","23.814","0.0002","90","","96.483","0.001","90","","4106.7","0.06","123.01","0.1","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 -","- C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 -","- C161 H170 Cl14 F20 Ir4 N12 O4 S4 -","2","0.5","","Shafikov, Marsel Z.; Zaytsev, Andrey V.; Suleymanova, Alfiya F.; Brandl, Fabian; Kowalczyk, Aleksandra; Gapińska, Magdalena; Kowalski, Konrad; Kozhevnikov, Valery N.; Czerwieniec, Rafał","Near Infrared Phosphorescent Dinuclear Ir(III) Complex Exhibiting Unusually Slow Intersystem Crossing and Dual Emissive Behavior.","The journal of physical chemistry letters","2020","","","5849","5855","10.1021/acs.jpclett.0c01276","","","1.54184","CuKα","","0.0312","0.0292","","","0.0831","0.0847","","","","","","1.067","","","","has coordinates,has disorder","254782","2020-10-21","18:00:00",""
"8000440","9.5732","0.0004","9.1568","0.0004","15.2531","0.0007","90","","94.935","0.002","90","","1332.13","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C40 H64 Br8 Mn1.2 N4 Zn0.8 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.33","","","","","","","has coordinates","254284","2020-10-21","18:00:00",""
"8000441","9.5764","0.0005","9.1603","0.0004","15.2625","0.0007","90","","94.924","0.003","90","","1333.93","0.11","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C40 H64 Br8 Mn1.6 N4 Zn0.4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","1.46","","","","","","","has coordinates","254285","2020-10-21","18:00:00",""
"8000442","9.552","0.0002","9.134","0.0002","15.2067","0.0003","90","","94.953","0.0014","90","","1321.8","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 N2 Zn -","- C20 H32 Br4 N2 Zn -","- C40 H64 Br8 N4 Zn2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.07","1.86","","","","","","","has coordinates","254286","2020-10-21","18:00:00",""
"8000443","9.59257","0.00035","9.17931","0.00031","15.29408","0.00049","90","","94.8868","0.0019","90","","1341.8","0.08","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.56","1.704","","","","","","","has coordinates","254287","2020-10-21","18:00:00",""
"8000444","9.5593","0.0004","9.1402","0.0003","15.2225","0.0006","90","","94.958","0.002","90","","1325.07","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C40 H64 Br8 Mn0.4 N4 Zn1.6 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.17","1.33","","","","","","","has coordinates","254288","2020-10-21","18:00:00",""
"8000445","9.5667","0.0004","9.1487","0.0003","15.2381","0.0006","90","","94.949","0.002","90","","1328.71","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C40 H64 Br8 Mn0.8 N4 Zn1.2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","1.28","","","","","","","has coordinates","254289","2020-10-21","18:00:00",""
"8000446","25.1222","0.001","14.9693","0.0006","40.2014","0.0019","90","","99.435","0.003","90","","14913.7","1.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 Ag5.26 Au24.74 S18 -","- C60 Ag5.27 Au24.73 S18 -","- C240 Ag21.08 Au98.92 S72 -","4","1","","Wijesinghe, Kalpani Hirunika; Sakthivel, Naga Arjun; Jones, Tanya; Dass, Amala","Crystal Structure of Au<sub>30-<i>x</i></sub>Ag<sub> <i>x</i> </sub>(S-<i>t</i>Bu)<sub>18</sub> and Effect of the Ligand on Ag Alloying in Gold Nanomolecules.","The journal of physical chemistry letters","2020","","","6312","6319","10.1021/acs.jpclett.0c01330","","","0.7293","synchrotron","","0.1518","0.1176","","","0.2819","0.3089","","","","","","1.063","","","","has coordinates,has disorder","254783","2020-10-21","18:00:00",""
"8000447","8.722","0.003","8.726","0.003","22.533","0.008","97.604","0.016","93.482","0.011","90.36","0.02","1696.5","1","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 I7 N3 Pb2 -","- C17 H30 I7 N3 Pb2 -","- C34 H60 I14 N6 Pb4 -","2","1","","Morrow, Darien J.; Hautzinger, Matthew P.; Lafayette, David P.; Scheeler, Jason M.; Dang, Lianna; Leng, Meiying; Kohler, Daniel D.; Wheaton, Amelia M.; Fu, Yongping; Guzei, Ilia A.; Tang, Jiang; Jin, Song; Wright, John C.","Disentangling Second Harmonic Generation from Multiphoton Photoluminescence in Halide Perovskites using Multidimensional Harmonic Generation.","The journal of physical chemistry letters","2020","","","6551","6559","10.1021/acs.jpclett.0c01720","","x-ray","0.71073","MoKα","K-L~3~","0.1237","0.0644","","","0.1229","0.1412","","","","","","1.014","","","","has coordinates,has disorder","257159","2020-10-21","18:00:00",""
"8000448","15.2662","0.0005","51.5233","0.0015","17.4781","0.0005","90","","90.777","0.002","90","","13746.4","0.7","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 Ag2.68 Au27.31 S18 -","- C72 H162 Ag2.68 Au27.32 S18 -","- C288 H648 Ag10.72 Au109.28 S72 -","4","1","","Li, Yingwei; Taylor, Michael G.; Luo, Tian-Yi; Song, Yongbo; Rosi, Nathaniel L.; Mpourmpakis, Giannis; Jin, Rongchao","Heteroatom Tracing Reveals the 30-Atom Au-Ag Bimetallic Nanocluster as a Dimeric Structure.","The journal of physical chemistry letters","2020","11","17","7307","7312","10.1021/acs.jpclett.0c01977","","x-ray","1.54178","CuKα","","0.1152","0.0865","","","0.1961","0.2107","","","","","","1.079","","","","has coordinates,has disorder","255878","2020-10-21","18:00:00",""
"8000449","3.9649","0.0002","5.7919","0.0004","25.7992","0.0016","90","","90","","90","","592.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","potassium 2-furoate","furan-2-carboxylic acid, potassium salt (1:1)","","- C5 H3 K O3 -","- C5 H3 K O3 -","- C20 H12 K4 O12 -","4","1","","Frankhouser, Amy D.; Kanan, Matthew W.","Phase Behavior That Enables Solvent-Free Carbonate-Promoted Furoate Carboxylation.","The journal of physical chemistry letters","2020","","","7544","7551","10.1021/acs.jpclett.0c02210","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0552","0.0572","","","","","","1.079","","","","has coordinates","255698","2020-10-21","18:00:00",""
"8000450","15.7472","0.0004","16.9033","0.0007","18.0345","0.0007","64.976","0.004","73.853","0.003","84.654","0.003","4176.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 N4 O2 S4 -","- C94 H82 N4 O2 S4 -","- C188 H164 N8 O4 S8 -","2","1","","Zhou, Jiadong; Wen, Xinbo; Tang, Ningning; Zhou, Xuehong; Wang, Cong; Zheng, Nan; Liu, Linlin; Xie, Zengqi","Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors.","The journal of physical chemistry letters","2020","11","18","7908","7913","10.1021/acs.jpclett.0c02569","","x-ray","1.54184","CuKα","","0.0916","0.0573","","","0.1367","0.1508","","","","","","1.037","","","","has coordinates","257162","2020-10-21","18:00:00",""
"8000451","16.1196","0.0003","16.1196","0.0003","17.5219","0.0006","90","","90","","90","","4552.9","0.2","143","2","143","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H64 Mn4 N40 O12 -","- C72 H64 Mn4 N40 O12 -","- C144 H128 Mn8 N80 O24 -","2","0.25","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1414","0.126","","","0.2778","0.2839","","","","","","1.012","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000452","11.5389","0.0005","11.5389","0.0005","17.7377","0.0016","90","","90","","90","","2361.7","0.3","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C44 H0 Mn2 N22 O8 -","- C44 Mn2 N22 O8 -","- C88 Mn4 N44 O16 -","2","0.0625","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1396","0.1296","","","0.2698","0.2719","","","","","","1.097","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000453","11.6357","0.0006","12.2736","0.0006","16.6608","0.0007","90","","90","","90","","2379.4","0.2","282","2","282","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H Mn N10 O -","- C18 H Mn N10 O -","- C72 H4 Mn4 N40 O4 -","4","1","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.0804","0.0623","","","0.1837","0.1943","","","","","","1.085","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000454","11.1875","0.0006","12.4566","0.0006","16.4477","0.0008","90","","90","","90","","2292.1","0.2","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H0 Mn2 N20 O2 -","- C36 Mn2 N20 O2 -","- C72 Mn4 N40 O4 -","2","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1107","0.1027","","","0.2954","0.3039","","","","","","1.143","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000455","11.6485","0.0006","12.2688","0.0005","16.6697","0.0007","90","","90","","90","","2382.32","0.19","301","2","301","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C18 H8 Mn N10 O -","- C18 H8 Mn N10 O -","- C72 H32 Mn4 N40 O4 -","4","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1431","0.1372","","","0.3015","0.3036","","","","","","1.098","","","","has coordinates,has disorder","257161","2020-10-21","18:00:00",""
"8000456","11.7122","0.0003","13.4138","0.0003","16.8162","0.0004","90","","103.261","0.002","90","","2571.46","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O7 Zn2 -","- C26 H26 N2 O7 Zn2 -","- C104 H104 N8 O28 Zn8 -","4","1","","Takimoto, Kazuyoshi; Ishihara, Shinsuke; Labuta, Jan; Březina, Václav; Payne, Daniel T.; Hill, Jonathan P.; Ariga, Katsuhiko; Sumita, Masato; Mori, Shigeki; Sato, Hisako","Enantiomeric Excess Dependent Splitting of NMR Signal through Dynamic Chiral Inversion and Coligand Exchange in a Coordination Complex.","The journal of physical chemistry letters","2020","11","19","8164","8169","10.1021/acs.jpclett.0c02284","","","0.71073","MoKα","","0.0445","0.0363","","","0.0791","0.0831","","","","","","1.036","","","","has coordinates","257160","2020-10-21","18:00:00",""
"8000457","15.198","0.0009","13.1294","0.0008","7.7881","0.0005","90","","98.169","0.003","90","","1538.27","0.16","148.04","","148.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.131","0.0668","","","0.1497","0.1904","","","","","","1.045","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000458","11.3576","0.001","8.0121","0.0006","67.179","0.006","90","","90","","90","","6113.2","0.9","100","2","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cl2 N6 O2 -","- C32 H32 Cl2 N6 O2 -","- C256 H256 Cl16 N48 O16 -","8","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0839","0.079","","","0.1588","0.1607","","","","","","1.246","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000459","15.5657","0.0008","6.4012","0.0003","17.6685","0.0009","90","","102.526","0.002","90","","1718.57","0.15","297.8","","297.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N3 O2 -","- C17 H20 Cl N3 O2 -","- C68 H80 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.1001","0.048","","","0.0972","0.1214","","","","","","1.016","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000460","15.7804","0.0008","6.3813","0.0003","18.8376","0.001","90","","107.348","0.002","90","","1810.65","0.16","297.8","","297.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0955","0.0464","","","0.0995","0.1247","","","","","","1.015","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000461","14.9915","0.0014","6.3912","0.0005","20.0914","0.0018","90","","105.829","0.004","90","","1852","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl N3 O2 -","- C19 H24 Cl N3 O2 -","- C76 H96 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0953","0.0594","","","0.1271","0.1423","","","","","","1.068","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000462","6.6837","0.0003","21.6852","0.0009","27.8092","0.0012","90","","90","","90","","4030.6","0.3","296","2","296","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C72 H68 F24 N6 O20 P4 -","- C72 H52 F24 N6 O20 P4 -","- C144 H104 F48 N12 O40 P8 -","2","0.25","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1648","0.0861","","","0.2477","0.3098","","","","","","1.026","","","","has coordinates","258567","2020-10-22","23:45:19",""
"8000463","28.005","0.004","6.9983","0.0008","14.0177","0.0017","90","","119.983","0.006","90","","2379.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 N2 O4 -","- C24 H18 B2 F8 N2 O4 -","- C96 H72 B8 F32 N8 O16 -","4","0.5","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1154","0.0528","","","0.1346","0.1731","","","","","","1.029","","","","has coordinates,has disorder","258568","2020-10-22","23:45:50",""
"8000464","6.8623","0.0004","12.6219","0.001","15.1424","0.0012","74.772","0.007","82.398","0.005","76.727","0.006","1228.08","0.16","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br2 N2 O5 -","- C25 H22 Br2 N2 O5 -","- C50 H44 Br4 N4 O10 -","2","1","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.051","0.0355","","","0.1035","0.1179","","","","","","0.671","","","","has coordinates,has disorder","258569","2020-10-22","23:46:22",""
"8000465","6.6806","0.0003","20.8364","0.0009","27.965","0.0012","90","","90","","90","","3892.7","0.3","296","2","296","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C72 H68 Cl4 N6 O36 -","- C72 H68 Cl3.996 N6 O35.984 -","- C144 H136 Cl7.992 N12 O71.968 -","2","0.25","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1726","0.0909","","","0.231","0.276","","","","","","1.074","","","","has coordinates,has disorder","258570","2020-10-22","23:46:51",""
"8000466","10.2996","0.0001","26.3489","0.0002","22.2194","0.0002","90","","92.337","0.001","90","","6024.96","0.09","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H74 Br9 In N6 O -","- C48 H74 Br9 In N6 O -","- C192 H296 Br36 In4 N24 O4 -","4","2","","Li, Zhongyuan; Song, Gaomin; Li, Ye; Wang, Le; Zhou, Tianliang; Lin, Zheshuai; Xie, Rong-Jun","Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping.","The journal of physical chemistry letters","2020","11","23","10164","10172","10.1021/acs.jpclett.0c03079","","x-ray","1.54184","CuKα","","0.0418","0.0362","","","0.0867","0.0961","","","","","","1.063","","","","has coordinates,has disorder","259530","2020-12-04","02:30:19",""
"8000467","18.1441","0.0013","8.418","0.0005","8.6907","0.0006","90","","98.909","0.002","90","","1311.38","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis[4-(Trifluoromethyl)benzylammonium] Lead(II) Tetraiodide; [4-(Trifluoromethyl)benzylammonium]2PbI4","Bis{[4-(Trifluoromethyl)phenyl]methanammonium} Lead(II) Tetraiodide","","- C16 H18 F6 I4 N2 Pb -","- C16 H18 F6 I4 N2 Pb -","- C32 H36 F12 I8 N4 Pb2 -","2","0.5","","Wang, Pei-Xi; Najarian, Amin Morteza; Hao, Zhaomin; Johnston, Andrew; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Structural Distortion and Bandgap Increase of Two-Dimensional Perovskites Induced by Trifluoromethyl Substitution on Spacer Cations.","The journal of physical chemistry letters","2020","11","23","10144","10149","10.1021/acs.jpclett.0c02909","","","0.71073","MoKα","","0.0443","0.0285","","","0.06","0.0635","","","","","","0.999","","","","has coordinates,has disorder","259531","2020-12-04","02:30:30",""
"8000468","5.9937","0.001","31.533","0.005","7.4479","0.0009","90","","91.034","0.012","90","","1407.4","0.4","93","","93","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H9 I S2 -","- C18 H9 I S2 -","- C72 H36 I4 S8 -","4","2","","Matsunaga, Amane; Ogawa, Yuta; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Control of Molecular Orientation in Organic Semiconductors Using Weak Iodine‒Iodine Interactions","The Journal of Physical Chemistry Letters","2020","","","111","116","10.1021/acs.jpclett.0c02978","","","0.71073","MoKα","","0.1633","0.1558","","","0.4193","0.4314","","","","","","1.844","","","","has coordinates","259877","2020-12-15","00:23:58",""
"8000469","8.264","0.004","8.901","0.002","8.9223","0.0014","90","0","90","0","90","0","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Wieduwilt, Erna K.; Macetti, Giovanni; Genoni, Alessandro","Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions","The Journal of Physical Chemistry Letters","2020","","","463","471","10.1021/acs.jpclett.0c03421","","","0.71073","MoKα","","0.018","0.018","","0.013","0.013","","0.0327","","0.8238","0.8238","0.8238","","","","","has coordinates,has disorder","288574","2023-12-31","01:38:45",""
"8000470","30.891","0.006","17.628","0.004","39.727","0.008","90","","99.02","0.03","90","","21366","8","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C180 H270 Ag26 Au S19 -","- C180 H270 Ag26 Au S19 -","- C720 H1080 Ag104 Au4 S76 -","4","1","","Lin, Xinzhang; Ma, Weiguang; Sun, Keju; Sun, Bo; Fu, Xuemei; Ren, Xiuqing; Liu, Chao; Huang, Jiahui","[AuAg26(SR)18S]− Nanocluster: Open Shell Structure and High Faradaic Efficiency in Electrochemical Reduction of CO2 to CO","The Journal of Physical Chemistry Letters","2020","","","552","557","10.1021/acs.jpclett.0c03416","","","0.9793","MoKα","","0.1058","0.099","","","0.2628","0.2709","","","","","","1.037","","","","has coordinates","260332","2021-01-01","01:32:19",""
"8000471","11.952","0.002","12.348","0.003","13.306","0.003","63.93","0.03","85.6","0.03","73.85","0.03","1692","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","1","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.65252","","","0.0618","0.0562","","","0.1543","0.1617","","","","","","1.025","","","","has coordinates","260405","2021-01-04","02:31:13",""
"8000472","15.036","0.003","11.848","0.002","8.5039","0.0017","90","","95.07","0.03","90","","1509","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","0.5","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.71073","MoKα","","0.1361","0.0632","","","0.121","0.1456","","","","","","1.002","","","","has coordinates","260406","2021-01-04","02:31:39",""
"8105075","10.5489","0.0003","6.2601","0.0001","21.3299","0.0007","90","","99.401","0.001","90","","1389.65","0.06","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cu F2 N4 O4 -","- C32 H28 Cu F2 N4 O4 -","- C64 H56 Cu2 F4 N8 O8 -","2","0.5","","Zhao, Ji-Xing; Wu, Qin","Synthesis and crystal structure of bis{5-fluorine-2-(((4-(1-(methoxy-imino)ethyl)phenyl) imino)methyl)phenolato-κ2 N,O}copper(II), C32H28CuF2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","257","258","10.1515/ncrs-2019-0544","","","0.71073","MoKα","","0.0436","0.0312","","","0.079","0.0849","","","","","","1.061","","","","has coordinates","274739","2022-04-28","08:50:08",""
"8105076","9.2328","0.0001","12.933","0.0002","12.3477","0.0002","90","","97.383","0.001","90","","1462.19","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O4 -","- C16 H17 F N2 O4 -","- C64 H68 F4 N8 O16 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Redetermination of the crystal structure of N′-(3-ethoxy-2-hydroxybenzylidene)-4-fluorobenzohydrazide monohydrate, C16H17FN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","259","261","10.1515/ncrs-2019-0568","","","1.54184","CuKα","","0.0361","0.0318","","","0.0829","0.0861","","","","","","1.021","","","","has coordinates","274740","2022-04-28","08:53:33",""
"8105077","13.921","0.0013","13.2329","0.0015","18.7191","0.0019","90","","126.25","0.002","90","","2780.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl F N2 O2 -","- C15 H12 Cl F N2 O2 -","- C120 H96 Cl8 F8 N16 O16 -","8","2","","Yan, Xifeng; Zhong, Shibin; Zhang, Hong","The crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl) ethylidene)-2-hydroxybenzohydrazide, C15H12ClFN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","263","265","10.1515/ncrs-2019-0571","","","0.71073","MoKα","","0.0815","0.0499","","","0.1338","0.142","","","","","","1.096","","","","has coordinates","274741","2022-04-28","09:03:49",""
"8105078","11.6325","0.0011","7.8196","0.0007","15.5644","0.0015","90","","106.288","0.002","90","","1358.9","0.2","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","","Liu, Jie; Cheng, Ruo-Liu; Yu, Shu-Zhen; Zou, Ying","Crystal structure of (E)-N-[4-(1H)-imidazolyl phenyl]-(2-methylphenyl)methanimine, C17H15N3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","267","268","10.1515/ncrs-2019-0584","","","0.71073","MoKα","","0.0456","0.0363","","","0.0894","0.0975","","","","","","1.047","","","","has coordinates","274742","2022-04-28","09:06:50",""
"8105079","11.7817","0.0014","5.3165","0.0006","14.1747","0.0016","90","","95.731","0.002","90","","883.43","0.18","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C46 H34 N6 -","2","1","","Liu, Quan; Xiong, Guowei; Chen, Yunfeng; Li, Yuanxiang","The crystal structure of 1-benzyl-4-(2-(phenylethynyl)phenyl)-1H-1,2,3-triazole, C23H17N3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","269","270","10.1515/ncrs-2019-0585","","x-ray","0.71073","MoKα","","0.0942","0.0663","","","0.1384","0.1567","","","","","","1.012","","","","has coordinates","274743","2022-04-28","09:10:43",""
"8105080","15.84368","0.00004","8.46281","0.00002","20.88054","0.00008","90","","90","","90","","2799.71","0.014","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H30 Cd Cl2 P2 -","- C29 H30 Cd Cl2 P2 -","- C116 H120 Cd4 Cl8 P8 -","4","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[{μ2-1,5-bis(diphenylphosphanyl)pentane-κ2 P:P′}dichloridocadmium(II)], C29H30CdCl2P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","271","273","10.1515/ncrs-2019-0595","","","1.54184","CuKα","","0.0275","0.0275","","","0.0719","0.0719","","","","","","1.013","","","","has coordinates","274744","2022-04-28","09:15:15",""
"8105081","8.1573","0.0001","17.4823","0.0001","9.1162","0.0001","90","","116.432","0.001","90","","1164.14","0.02","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 N6 O7 S -","- C19 H28 N6 O7 S -","- C38 H56 N12 O14 S2 -","2","1","","Jiang, Binli; Zhou, Guo-Chun","Crystal structure of methyl (E)-N 2-((3-methylquinolin-8-yl)sulfonyl)-Nω′-nitro-L-argininate - ethanol (1/1), C19H28N6O7S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","275","277","10.1515/ncrs-2019-0597","","","1.54184","CuKα","","0.0289","0.0273","","","0.0722","0.0732","","","","","","1.052","","","","has coordinates","274745","2022-04-28","09:18:23",""
"8105082","11.339","0.004","9.887","0.005","23.069","0.009","90","","91.125","0.005","90","","2585.7","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 I N O3 P Rh -","- C25 H28 I N O3 P Rh -","- C100 H112 I4 N4 O12 P4 Rh4 -","4","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Roodt, Andreas","The crystal structure of trans-carbonyl-(diphenylcyclohexyl-phosphine-κP)iodidomethyl-(2-oxopyridin-1(2H)-olato-κ2 O,O′)rhodium(III), C25H28INO3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","279","281","10.1515/ncrs-2019-0602","","","0.71069","MoKα","","0.0775","0.0463","","","0.0945","0.1093","","","","","","1.066","","","","has coordinates,has disorder","274746","2022-04-28","09:23:02",""
"8105083","8.2116","0.0003","11.1926","0.0004","17.3488","0.0007","90","","96.245","0.001","90","","1585.05","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N8 O7 Zn -","- C12 H12 N8 O7 Zn -","- C48 H48 N32 O28 Zn4 -","4","1","","Yan, Jin-Long","Crystal structure of N-(amino(pyrazin-2-yl)methylene)-6-methylpyridin-1-ium-3-carbohydrazonate-κ3 O,N,N′)-(dinitrato-κ1O)zinc(II), C12H12N8O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","283","284","10.1515/ncrs-2019-0605","","","1.54178","CuKα","","0.0274","0.0263","","","0.0713","0.0722","","","","","","1.067","","","","has coordinates","274747","2022-04-28","09:26:10",""
"8105084","9.7862","0.0013","12.469","0.0017","12.8413","0.0017","84.163","0.002","73.602","0.003","85.524","0.002","1493.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl3 Cr N7 O3 -","- C27 H33 Cl3 Cr N7 O3 -","- C54 H66 Cl6 Cr2 N14 O6 -","2","1","","Li, Ji; Wu, Siqi","The crystal structure of dichlorido-(tris(2-benzimidazolylmethyl)amine-κ4 N,N′,N′′,N′′′)chromium(III) chloride — methanol (1/3), CrC27H33Cl3N7O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","285","287","10.1515/ncrs-2019-0607","","x-ray","0.71073","MoKα","","0.0597","0.0472","","","0.137","0.1524","","","","","","1.035","","","","has coordinates,has disorder","274748","2022-04-28","09:28:49",""
"8105085","6.9547","0.0009","8.4684","0.0012","8.9563","0.0015","117.888","0.015","101.74","0.013","93.026","0.011","449.75","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Ag2 N2 O10 S2 -","- C10 H24 Ag2 N2 O10 S2 -","- C10 H24 Ag2 N2 O10 S2 -","1","0.5","","Jiang, Jin-Ke; Xu, Xin-Yue; Li, Xi-Xi; Du, Jing-Jie; Jiang, Hui; Dong, Xian-Wu","Crystal structure of catena-poly[aqua(μ4-piperazine-1,4-bis(2-hydroxypropanesulfonato-κ8 O,O′:O′,N:N′,O′′:O′′,O′′′))silver(I)], C10H24Ag2N2O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","289","290","10.1515/ncrs-2019-0610","","","0.71073","MoKα","","0.0498","0.0365","","","0.0795","0.0858","","","","","","1.023","","","","has coordinates","274749","2022-04-28","09:31:37",""
"8105086","11.2999","0.0009","14.1471","0.0011","15.2378","0.0012","67.656","0.001","72.115","0.001","69.73","0.001","2069.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl8 F16 O10 Sn4 -","- C84 H52 Cl8 F16 O10 Sn4 -","- C84 H52 Cl8 F16 O10 Sn4 -","1","0.5","","Sun, Junshan","Crystal structure of bis(μ3-oxido)-bis(μ2–2,3,4,5-tetrafluorobenzoato-κ2O:O′)-bis(2,3,4,5-tetrafluorobenzoato-κO)-oktakis(3-chlorobenzyl-κC)tetratin(IV), C84H52Cl8F16O10Sn4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","291","292","10.1515/ncrs-2019-0613","","","0.71073","MoKα","","0.0346","0.0284","","","0.0694","0.0732","","","","","","1.004","","","","has coordinates","274750","2022-04-28","09:34:34",""
"8105087","6.0573","0.0003","13.8341","0.0006","33.0876","0.0015","90","","92.837","0.002","90","","2769.3","0.2","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F N2 O2 -","- C16 H15 F N2 O2 -","- C128 H120 F8 N16 O16 -","8","2","","Fu, Tao; Ma, Jin-Xia; Li, Qing-Lin; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Crystal structure of (E)-1-{4-[(4-fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","293","295","10.1515/ncrs-2019-0614","","","0.71073","MoKα","","0.1","0.0581","","","0.1289","0.1605","","","","","","1.035","","","","has coordinates","274751","2022-04-28","09:37:56",""
"8105088","8.0184","0.0001","8.4326","0.0001","23.5086","0.0002","80.478","0.001","80.679","0.001","76.112","0.001","1509.37","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 N4 O4 P2 S4 Zn -","- C20 H30 N4 O4 P2 S4 Zn -","- C40 H60 N8 O8 P4 S8 Zn2 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-[(bis(O,O′-diethyl dithiophosphato-S,S′)-μ2-1,2-bis(3-pyridylmethylene)hydrazine-N,N′)zinc(II)], {C20H30N4O4P2S4Zn}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","297","299","10.1515/ncrs-2019-0621","","","1.54184","CuKα","","0.0475","0.0449","","","0.1158","0.1182","","","","","","1.006","","","","has coordinates","274752","2022-04-28","09:40:51",""
"8105089","4.511","0.002","11.891","0.006","14.557","0.007","109.709","0.009","96.971","0.009","97.054","0.009","718.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 I N3 O2 -","- C15 H12 I N3 O2 -","- C30 H24 I2 N6 O4 -","2","1","","Fang, Bo; Jiang, Fang Fang; Meng, Jiang Ping","Crystal structure of methyl 2-(4-(3-iodopyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H12IN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","301","302","10.1515/ncrs-2019-0624","","","0.71073","MoKα","","0.067","0.0449","","","0.0966","0.1052","","","","","","0.99","","","","has coordinates","274753","2022-04-28","09:43:58",""
"8105090","24.1612","0.0007","13.0229","0.0003","14.918","0.0004","90","","121.383","0.003","90","","4007.2","0.2","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>fac</i>-bis(hexacarbonyl-<i>μ</i>~2~-methoxy)(<i>μ</i>~2~- bis(di-<i>p</i>-tolylphosphino) cyclohexylamine)dirhenium(I)","","- C42 H45 N O8 P2 Re2 -","- C42 H45 N O8 P2 Re2 -","- C168 H180 N4 O32 P8 Re8 -","4","0.5","","Kama, Dumisani V.; Brink, Alice; Alberto, Roger; Roodt, Andreas","Crystal structure of hexacarbonyl-(μ2-methanoato-k2 O:O′)-(μ2–bis(di-p-tolylphosphino)cyclohexylamine-κ2 P:P′)dirhenium(I), C42H45NO8P2Re2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","303","305","10.1515/ncrs-2019-0632","","","0.71073","MoKα","","0.0291","0.0235","","","0.0553","0.0596","","","","","","1.088","","","","has coordinates,has disorder","274780","2022-05-02","07:36:30",""
"8105091","9.6366","0.0019","9.5098","0.0019","16.095","0.003","90","","103.59","0.03","90","","1433.7","0.5","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N10 O2 -","- C14 H10 N10 O2 -","- C56 H40 N40 O8 -","4","1","","Jiaping, Zhu; Gang, Wang; Dang, Wu","The cocrystal structure of 1′-hydroxy-1H,1′H-[5,5′-bitetrazol]-1-olate and 1,10-phenanthrolin-1-ium, C14H10N10O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","307","308","10.1515/ncrs-2019-0633","","","0.71073","MoKα","","0.0663","0.0579","","","0.1258","0.1309","","","","","","1.132","","","","has coordinates","274781","2022-05-02","07:39:33",""
"8105092","9.875","0.006","10.415","0.006","20.562","0.012","90","","98.13","0.007","90","","2094","2","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Br N -","- C24 H24 Br N -","- C96 H96 Br4 N4 -","4","1","","Liao, Juan; Zeng, Fei; Ding, Man-Hua","The crystal structure of 1-benzyl-2-((4-(tert-butyl)phenyl)ethynyl)pyridin-1-ium bromide,C24H24BrN","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","309","310","10.1515/ncrs-2019-0638","","","0.71073","MoKα","","0.0468","0.0367","","","0.0987","0.1044","","","","","","1.036","","","","has coordinates","274782","2022-05-02","07:43:37",""
"8105093","18.8","0.004","21.224","0.004","14.436","0.003","90","","112.094","0.006","90","","5337.1","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cu N12 O2 -","- C26 H16 Cu N12 O2 -","- C208 H128 Cu8 N96 O16 -","8","1","","Jiaping, Zhu; Gang, Wang; Dang, Wu","Crystal structure of (5,5′-bitetrazole-1,1′-diolate)-bis(1,10-phenanthroline)-copper(II), C26H16CuN12O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","311","312","10.1515/ncrs-2019-0639","","","0.71073","MoKα","","0.089","0.0468","","","0.1081","0.1287","","","","","","0.956","","","","has coordinates","274783","2022-05-02","08:00:34",""
"8105094","7.1069","0.0001","20.5238","0.0002","10.8978","0.0001","90","","96.029","0.001","90","","1580.77","0.03","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Mn N2 O18 -","- C28 H40 Mn N2 O18 -","- C56 H80 Mn2 N4 O36 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bis(ammonium) diaqua-tetrakis(4-hydroxybenzoato)-manganese(II) tetrahydrate, [NH4]2[C28H24MnO14] ⋅ 4(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","313","315","10.1515/ncrs-2019-0642","","","0.71073","MoKα","","0.0279","0.0255","","","0.0726","0.0746","","","","","","1.011","","","","has coordinates","274784","2022-05-02","08:05:47",""
"8105095","10.2139","0.0013","5.6835","0.0006","17.597","0.002","90","","106.484","0.004","90","","979.5","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-chloro-1-hydrazino-2,4,6-trinitrobenzene","","- C6 H4 Cl N5 O6 -","- C6 H4 Cl N5 O6 -","- C24 H16 Cl4 N20 O24 -","4","1","","Mei, Xue; Yong, Xiang; Jian, Wang; Yushan, Zhang; Yuehua, Yao; Jianlong, Wang","The crystal structure of 3-chloro-1-hydrazino-2,4,6-trinitrobenzene, C6H4ClN5O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","317","318","10.1515/ncrs-2019-0647","","","0.71073","MoKα","","0.0958","0.0497","","","0.0933","0.1138","","","","","","1.046","","","","has coordinates","274785","2022-05-02","08:16:30",""
"8105096","11.7844","0.0002","7.6063","0.0001","13.1965","0.0002","90","","111.594","0.002","90","","1099.86","0.03","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C12 H24 Cd N2 O4 P2 S4 -","- C12 H24 Cd N2 O4 P2 S4 -","- C24 H48 Cd2 N4 O8 P4 S8 -","2","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-[(μ2-pyrazine-κ2 N:N′)-bis(O,O′-di-ethyldithiophosphato-κ2 S,S′)cadmium(II)], {C12H24CdN2O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","319","321","10.1515/ncrs-2019-0648","","","1.54184","CuKα","","0.0173","0.0171","","","0.0466","0.0467","","","","","","1.006","","","","has coordinates","274786","2022-05-02","08:25:25",""
"8105097","9.6352","0.0002","11.3986","0.0002","14.8017","0.0003","85.713","0.002","89.877","0.002","86.048","0.002","1617.23","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H38 Cd N4 O4 P2 S4 -","- C20 H38 Cd N4 O4 P2 S4 -","- C40 H76 Cd2 N8 O8 P4 S8 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(μ2-pyrazine-N,N′)-bis(O,O′-di-isopropyldithiophosphato-S,S′)cadmium(II) acetonitrile di-solvate], [C16H32CdN2O4P2S4⋅2(C2H3N)]n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","323","325","10.1515/ncrs-2019-0649","","","1.54184","CuKα","","0.0288","0.0285","","","0.0827","0.0829","","","","","","1.112","","","","has coordinates","274787","2022-05-02","08:36:24",""
"8105098","7.7367","0.0001","21.5637","0.0001","23.1184","0.0002","90","","99.121","0.001","90","","3808.12","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 N5 O6 P2 S4 Zn -","- C28 H45 N5 O6 P2 S4 Zn -","- C112 H180 N20 O24 P8 S16 Zn4 -","4","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly{(μ2-N 1,N 2-bis[(pyridin-4-yl)methyl]ethanediamide-κ2 N:N′)-bis(O,O′-di-isopropyldithiophosphato-κ1 S)zinc(II)} — acetonitrile (1/1), C26H42N4O6P2S4Zn⋅C2H3N","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","327","329","10.1515/ncrs-2019-0650","","","1.54184","CuKα","","0.0218","0.021","","","0.0573","0.058","","","","","","1.034","","","","has coordinates","274788","2022-05-02","08:47:03",""
"8105099","9.811","0.002","15.53","0.003","13.639","0.003","90","","122.122","0.003","90","","1760","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Co O10 -","- C16 H22 Co O10 -","- C64 H88 Co4 O40 -","4","1","","Pang, Haixia; Xie, Zhucan; Zhang, Hong; Xu, Baoming; Gan, Hongyu","Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)cobalt(II), C16H22O10Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","331","333","10.1515/ncrs-2019-0652","","","0.71073","MoKα","","0.0287","0.0243","","","0.0763","0.0821","","","","","","1.082","","","","has coordinates","274789","2022-05-02","08:53:24",""
"8105100","9.3353","0.0002","9.7725","0.0002","10.6884","0.0002","63.153","0.002","64.193","0.002","62.71","0.002","740.43","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","1","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-[(bis(O,O′-diethyl dithiophosphato-S,S′)-μ2-1,2-bis(4-pyridylmethylene)hydrazine-N,N′)cadmium(II)], {C20H30CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","335","337","10.1515/ncrs-2019-0653","","","1.54184","CuKα","","0.0171","0.0171","","","0.0465","0.0465","","","","","","1.032","","","","has coordinates","274790","2022-05-02","08:58:01",""
"8105101","12.6641","0.0001","13.0014","0.0001","15.3072","0.0001","90","","90","","90","","2520.35","0.03","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cd N4 O4 P2 S4 -","- C16 H22 Cd N4 O4 P2 S4 -","- C64 H88 Cd4 N16 O16 P8 S16 -","4","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(μ2-1,2-bis(3-pyridylmethylene)hydrazine-κ2 N:N′)-bis(O,O′-dimethyl dithiophosphato-κ2-S,S′)cadmium(II)], {C16H22CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","339","341","10.1515/ncrs-2019-0654","","","1.54184","CuKα","","0.0195","0.0186","","","0.0497","0.0503","","","","","","1.071","","","","has coordinates","274791","2022-05-02","09:19:16",""
"8105102","9.0764","0.0003","9.3969","0.0003","9.6964","0.0003","86.516","0.003","63.362","0.003","75.25","0.003","713.5","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","1","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(bis(O,O′-diethyl dithiophosphato-κ2 S,S′)-μ2-1,2-bis(3-pyridylmethylene)hydrazine-κ2 N:N′)cadmium(II)], {C20H30CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","343","345","10.1515/ncrs-2019-0655","","","1.54184","CuKα","","0.0166","0.0166","","","0.0462","0.0462","","","","","","1.051","","","","has coordinates","274792","2022-05-02","09:32:10",""
"8105103","13.101","0.006","11.151","0.005","20.855","0.01","90","","90","","90","","3047","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena((E)-2-(((5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2- yl)imino)methyl)phenol)","","- C12 H15 N3 O S2 Sn -","- C12 H15 N3 O S2 Sn -","- C96 H120 N24 O8 S16 Sn8 -","8","1","","Sun, Junshan","The crystal structure of catena-poly[(E)-2-(((5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)imino)methyl)phenol], C12H15N3OS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","347","348","10.1515/ncrs-2019-0658","","","0.71073","MoKα","","0.0903","0.044","","","0.1115","0.156","","","","","","1.038","","","","has coordinates","274793","2022-05-02","09:37:16",""
"8105104","19.209","0.013","15.144","0.011","24.011","0.019","90","","90","","90","","6985","9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","dichloro[1,1-di-<i>p</i>-tolyl-<i>N</i>-(2-methylbenzene) phosphinamide-<i>k</i>P](methyl-di-<i>p</i>- tolylphosphinite-<i>k</i>P)-palladium(II)","","- C36 H39 Cl2 N O P2 Pd -","- C36 H39 Cl2 N O P2 Pd -","- C288 H312 Cl16 N8 O8 P16 Pd8 -","8","1","","Kama, Dumisani V.; Brink, Alice; Roodt, Andreas","Crystal structure of dichlorido(N-o-tolyl-1,1-di-p-tolylphosphanamine–κ1 P)-(methoxydi-p-tolylphosphane-κ1 P)palladium(II), C36H39Cl2NOP2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","349","352","10.1515/ncrs-2019-0659","","","0.71069","MoKα","","0.0491","0.0292","","","0.0706","0.0867","","","","","","1.127","","","","has coordinates","274794","2022-05-02","09:42:01",""
"8105105","12.2492","0.0009","12.4617","0.0009","14.3841","0.0011","74.189","0.006","74.543","0.007","85.97","0.006","2036.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(Trimethylsilyl)methyllithium","","- C24 H66 Li6 Si6 -","- C24 H66 Li6 Si6 -","- C48 H132 Li12 Si12 -","2","1","","Bauer, Jonathan O.","The crystal structure of the triclinic polymorph of hexameric (trimethylsilyl)methyllithium, C24H66Li6Si6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","353","356","10.1515/ncrs-2019-0662","","","0.71073","MoKα","","0.1193","0.0465","","","0.0713","0.0802","","","","","","0.8","","","","has coordinates","274795","2022-05-02","09:46:59",""
"8105106","6.8423","0.001","8.8919","0.0013","12.6319","0.0018","104.743","0.002","94.606","0.002","90.934","0.002","740.3","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Co N8 O4 -","- C34 H22 Co N8 O4 -","- C34 H22 Co N8 O4 -","1","0.5","","Huang, Junjie; Lu, Yang; Lu, Hui; Sun, Jianhua","Crystal structure of bis(hydroxydi(pyridin-2-yl)methanolato-κ3 N,N′O)cobalt(III) 7,7,8,8-tetracyanoquinodimethane, C34H22CoN8O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","357","358","10.1515/ncrs-2019-0668","","","0.71073","MoKα","","0.0424","0.0369","","","0.1023","0.1179","","","","","","1.076","","","","has coordinates","274836","2022-05-03","08:05:04",""
"8105107","5.8236","0.0004","16.7277","0.0013","10.5963","0.0007","90","","96.022","0.002","90","","1026.55","0.13","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","","Wang, Li; An, Xiao-Xin; Cui, Yong-Fan; Dong, Wen-Kui","Synthesis and crystal structure of benzyl 5-oxo-5-phenyl-2-(quinolin-2-yl)pentanoate, C27H23NO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","359","360","10.1515/ncrs-2019-0670","","","0.71073","MoKα","","0.045","0.0396","","","0.0926","0.0953","","","","","","1.051","","","","has coordinates","274837","2022-05-03","08:08:20",""
"8105108","12.675","0.0018","11.0927","0.0017","28.4","0.004","90","","90","","90","","3993","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cl2 N O5 -","- C19 H19 Cl2 N O5 -","- C152 H152 Cl16 N8 O40 -","8","1","","Guo, You-Yuan; Wang, Huan; Ma, Xin; Fu, Ying","Crystal structure of 5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-(2,2-dichloroacetyl)-3,4-dihydro-2 H-benzo[b][1,4]oxazine-7-carboxylate, C19H19Cl2NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","361","363","10.1515/ncrs-2019-0671","","","0.71073","MoKα","","0.1227","0.07","","","0.1704","0.2011","","","","","","1.064","","","","has coordinates","274838","2022-05-03","08:15:22",""
"8105109","15.061","0.003","13.791","0.003","10.106","0.002","90","","118.6","0.03","90","","1843","0.8","294","2","294.3","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C72 H112 O24 -","8","1","","Li, Zhuang-Yu; Liu, Xiao-Jing; Guo, Zi-Yu; Li, Wen-Yu; Liu, E.; Jian, Fang-Fang","Crystal structure of dipentyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate, C18H28O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","365","366","10.1515/ncrs-2019-0672","","","0.71073","MoKα","","0.0605","0.0462","","","0.1223","0.1315","","","","","","1.0259","","","","has coordinates","274839","2022-05-03","08:18:22",""
"8105110","14.9275","0.0002","10.18003","0.00011","18.3497","0.0002","90","","92.0808","0.0013","90","","2786.63","0.06","290.3","0.9","290.3","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cd2 N2 O10 S2 -","- C30 H18 Cd2 N2 O10 S2 -","- C120 H72 Cd8 N8 O40 S8 -","4","1","","Zheng, Min","The crystal structure of catena-poly[diaqua-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)dicadmium(II)], C30H18Cd2N2O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","367","369","10.1515/ncrs-2019-0677","","x-ray","0.71073","MoKα","","0.0348","0.0285","","","0.0647","0.0679","","","","","","1.052","","","","has coordinates","274840","2022-05-03","08:23:29",""
"8105111","7.5458","0.0007","8.5659","0.0006","8.6089","0.0005","108.189","0.006","110.492","0.007","98.678","0.007","473.56","0.08","296.45","0.11","296.45","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B2 F4 I2 N4 -","- C14 H14 B2 F4 I2 N4 -","- C14 H14 B2 F4 I2 N4 -","1","0.5","","Liu, Yingfan; Li, Xiaochuan; Sun, Saisai; Ji, Guangqian; Son, Young-A.","Crystal structure of 2,7-diiodo-1,3,6,8-tetramethyl-bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine, C14H14B2F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","371","372","10.1515/ncrs-2019-0678","","x-ray","0.71073","MoKα","","0.0375","0.0334","","","0.0808","0.0831","","","","","","1.074","","","","has coordinates","274841","2022-05-03","08:32:16",""
"8105112","7.685","0.005","13.482","0.005","23.24","0.005","90","0.005","93.578","0.005","90","0.005","2403.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Eu2 N16 O24 -","- C32 H50 Eu2 N16 O24 -","- C64 H100 Eu4 N32 O48 -","2","0.5","","Zhu, Min; Song, Wen-Qi; Miao, Zong-Cheng","A dinuclear Eu(III) complex in the crystal structure of dodecaaqua-bis(μ2-4-(1H-tetrazol-5-yl)benzoato-κ2 O:O′) bis(5-(4-carboxylatophenyl)tetrazol-1-ide) tetrahydrate, C32H50Eu2N16O24","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","373","375","10.1515/ncrs-2019-0679","","","0.71069","MoKα","","0.0306","0.0235","","","0.0539","0.0577","","","","","","1.007","","","","has coordinates","274842","2022-05-03","08:35:12",""
"8105113","15.18","0.005","10.221","0.003","13.556","0.004","90","","106.628","0.004","90","","2015.3","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F2 N2 O3 S -","- C24 H18 F2 N2 O3 S -","- C96 H72 F8 N8 O12 S4 -","4","1","","Sun, Yue; Liu, Yin-Kai; Li, Jia-Dong; Meng, Qing-Guo; Hou, Gui-Ge","Crystal structure and anti-inflammatory activity of (3E,5E)-3-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-5-(pyridin-3-ylmethylene)piperidin-4-one, C24H18F2N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","377","379","10.1515/ncrs-2019-0683","","","0.71073","MoKα","","0.0764","0.053","","","0.1245","0.1342","","","","","","1.014","","","","has coordinates","274843","2022-05-03","08:38:12",""
"8105114","15.088","0.005","23.56","0.009","15.401","0.006","90","","112.254","0.005","90","","5067","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 F2 N6 O10 S2 -","- C53 H50 F2 N6 O10 S2 -","- C212 H200 F8 N24 O40 S8 -","4","1","","Wang, An-Qi; Gao, Ru-Ning; Luan, Qing-Hao; Wang, Ze-Ping; Li, Xiao-Ming; Hou, Gui-Ge","Crystal structure and anti-inflammatory activity of (3E,5E)-3-(2-fluorobenzylidene)-1-((4-acetamidophenyl)sulfonyl)-5-(pyridin-3-ylmethylene)piperidin-4-one-methanol-hydrate (2/1/1), C53H50F2N6O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","381","384","10.1515/ncrs-2019-0686","","","0.71073","MoKα","","0.1047","0.0509","","","0.1142","0.1336","","","","","","0.924","","","","has coordinates","274844","2022-05-03","08:41:41",""
"8105115","4.7965","0.0012","10.053","0.002","27.57","0.006","90","","90.292","0.008","90","","1329.4","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMAPH+.UAA-","","","- C13 H16 N4 O4 -","- C13 H16 N4 O4 -","- C52 H64 N16 O16 -","4","1","","Zhang, Xiao; Wang, Lin; Liang, Sen","Crystal structure of 4-dimethylamino-pyridin-1-ium uracil-1-acetate, C13H16N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","385","386","10.1515/ncrs-2019-0687","","","0.71073","MoKα","","0.0523","0.0426","","","0.1042","0.1115","","","","","","1.059","","","","has coordinates","274845","2022-05-03","08:44:57",""
"8105116","4.809","0.0003","9.934","0.0006","22.2437","0.0013","90","","90.138","0.008","90","","1062.64","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-FuCH2COO.(CH3)2NH2","","","- C8 H12 F N3 O4 -","- C8 H12 F N3 O4 -","- C32 H48 F4 N12 O16 -","4","1","","Zhang, Xiao; Li, Kaiyun; Liang, Sen","Crystal structure of dimethylammonium 5-fluorouracil-1-acetate, C8H12N3O4F","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","387","388","10.1515/ncrs-2019-0688","","","1.54178","CuKα","","0.0591","0.0452","","","0.1134","0.1227","","","","","","1.047","","","","has coordinates","274846","2022-05-03","08:49:35",""
"8105117","10.635","0.002","10.308","0.002","12.444","0.003","90","","101.205","0.004","90","","1338.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N8 Ni O4 S2 -","- C22 H30 N8 Ni O4 S2 -","- C44 H60 N16 Ni2 O8 S4 -","2","0.5","","Chen, Kui-Kui; Huang, Jing-Tao; Lin, Long; Wu, Wei-Na","Crystal structure of bis(N′-((5-(ethoxycarbonyl)-1H-pyrrol-2-yl)methylene)-N-ethylcarbamohydrazonothioato-κ2N,O)nickel(II), C22H30N8O4S2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","389","390","10.1515/ncrs-2019-0690","","","0.71073","MoKα","","0.0667","0.0417","","","0.083","0.0937","","","","","","1.012","","","","has coordinates","274847","2022-05-03","08:53:28",""
"8105118","10.6954","0.0002","15.3868","0.0003","12.613","0.0002","90","","90.559","0.001","90","","2075.6","0.07","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl F6 N4 P Rh -","- C17 H23 Cl F6 N4 P Rh -","- C68 H92 Cl4 F24 N16 P4 Rh4 -","4","1","","Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.","Crystal structure of chlorido-(η 5-pentamethylcyclopentadienyl)-((bis-pyrazol-1-yl)methane-κ2 N,N′) rhodium(III) hexafluorophosphate. (C17H23ClN4RhF6P)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","391","393","10.1515/ncrs-2019-0692","","","0.71073","MoKα","","0.0304","0.0296","","","0.0721","0.0727","","","","","","1.044","","","","has coordinates","274848","2022-05-03","08:57:34",""
"8105119","9.6533","0.0008","11.3185","0.0009","11.4469","0.001","83.747","0.003","85.81","0.002","71.445","0.002","1177.65","0.17","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C58 H52 N4 O6 -","2","1","","Han, Weiwei","The crystal structure of 5-(benzofuran-2-carbonyl)-N-cyclohexyl-5,6-dihydrophenanthridine-6-carboxamide, C29H26N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","395","396","10.1515/ncrs-2019-0693","","","0.71069","MoKα","","0.1226","0.0462","","","0.1045","0.16","","","","","","1.072","","","","has coordinates","274849","2022-05-03","09:00:47",""
"8105120","4.5947","0.0002","10.5414","0.0003","19.1611","0.0007","90","","94.084","0.002","90","","925.7","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-oxo-2H-chromen-4-yl acetate","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Hosten, Eric C.; Kaye, Perry T.; Watkins, Gareth M.; Krause, Rui W. M.","The crystal structure of 2-oxo-2H-chromen-4-yl acetate, C11H8O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","397","398","10.1515/ncrs-2019-0698","","","0.71073","MoKα","","0.046","0.0376","","","0.1043","0.1109","","","","","","1.032","","","","has coordinates","274850","2022-05-03","09:03:29",""
"8105121","5.4755","0.0012","14.377","0.003","11.143","0.003","90","","99.096","0.009","90","","866.2","0.4","150","2","150.02","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 N O6 -","- C8 H5 N O6 -","- C32 H20 N4 O24 -","4","0.5","","Li, Shu-Jing; Li, Ke; Li, Yi-Wen","The crystal structure of 2-nitroisophthalic acid, C8H5NO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","399","400","10.1515/ncrs-2019-0704","","","0.71073","MoKα","","0.076","0.0455","","","0.117","0.1341","","","","","","1.0472","","","","has coordinates","274851","2022-05-03","09:06:23",""
"8105122","7.0607","0.0002","18.4459","0.0005","23.8955","0.0007","90","","90","","90","","3112.17","0.15","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 F N4 O -","- C19 H17 F N4 O -","- C152 H136 F8 N32 O8 -","8","1","","Chen, Yu Hang; Dan, Yan Rong; Gan, Lin Ling; Yu, Yu","Crystal structure of 3-fluoro-9-methoxy-4b,5,14,15-tetrahydro-6H-isoquinolino [2′,1′:1,6]pyrazino[2,3-b]quinoxaline, C19H17FN4O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","401","402","10.1515/ncrs-2019-0708","","x-ray","1.54184","CuKα","","0.0657","0.0543","","","0.1407","0.154","","","","","","1.026","","","","has coordinates","274865","2022-05-04","07:08:59",""
"8105123","11.2227","0.0001","12.6793","0.0001","13.8731","0.0001","90","","98.282","0.001","90","","1953.5","0.03","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 F N2 O4 S2 Sn -","- C16 H25 F N2 O4 S2 Sn -","- C64 H100 F4 N8 O16 S8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (4-fluorobenzyl-κC)(bis(2-hydroxyethyl) carbamodithioato-κ2 S,S′)(2,2′-imino-diethanolato-κ3 N,O,O′)tin(IV), C16H25FN2O4S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","403","405","10.1515/ncrs-2019-0711","","","1.54184","CuKα","","0.0208","0.0198","","","0.0499","0.0507","","","","","","1.028","","","","has coordinates","274866","2022-05-04","07:16:18",""
"8105124","9.9295","0.0011","21.755","0.002","10.2358","0.0011","90","","95.022","0.01","90","","2202.6","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Br F3 N2 O3 S -","- C25 H18 Br F3 N2 O3 S -","- C100 H72 Br4 F12 N8 O12 S4 -","4","1","","Bai, Xian-Yong; Meng, Qing-Guo; Hou, Gui-Ge; Hou, Yun","Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-bromophenyl)sulfonyl)-3-(pyridin-4-ylmethylene)-5-(2-(trifluoromethyl)benzylidene)piperidin-4-one, C25H18BrF3N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","407","409","10.1515/ncrs-2019-0715","","","0.71073","MoKα","","0.0511","0.0373","","","0.0737","0.0795","","","","","","1.035","","","","has coordinates","274867","2022-05-04","07:18:47",""
"8105125","9.9087","0.0005","21.7843","0.001","10.2512","0.0006","90","","94.749","0.005","90","","2205.2","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cl F3 N2 O3 S -","- C25 H18 Cl F3 N2 O3 S -","- C100 H72 Cl4 F12 N8 O12 S4 -","4","1","","Zhou, Yan-Qiu; Hou, Gui-Ge; Meng, Qing-Guo; Hou, Yun","Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3-(pyridin-4-ylmethylene)-5-(2-(trifluoromethyl)benzylidene)piperidin-4-one, C25H18ClF3N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","411","413","10.1515/ncrs-2019-0716","","","0.71073","MoKα","","0.0626","0.0448","","","0.0925","0.1028","","","","","","1.022","","","","has coordinates","274868","2022-05-04","07:22:27",""
"8105126","7.28276","0.00007","13.22972","0.00012","8.01007","0.00007","90","","97.5018","0.0009","90","","765.156","0.012","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C~10~H~16~Cl~4~MnN~2~","","- C10 H16 Cl4 Mn N2 -","- C10 H16 Cl4 Mn N2 -","- C20 H32 Cl8 Mn2 N4 -","2","1","","Reiss, Guido J.","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C10H16Cl4MnN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","415","417","10.1515/ncrs-2019-0717","","x-ray","0.71073","MoKα","","0.0171","0.0165","","","0.0389","0.0392","","","","","","1.001","","","","has coordinates","274869","2022-05-04","07:25:41",""
"8105127","14.1361","0.001","15.8923","0.0012","6.641","0.0006","90","","90","","90","","1491.9","0.2","150","2","149.99","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Zhu, Yuanliang; Ma, Jingwei; Li, Shaofeng; Cai, Bin","The crystal structure of 3-carboxy-5-methylpyridin-1-ium-2-carboxylate, C8H7NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","419","420","10.1515/ncrs-2019-0722","","","0.71073","MoKα","","0.0544","0.0406","","","0.1049","0.1155","","","","","","1.025","","","","has coordinates","274870","2022-05-04","07:34:03",""
"8105128","12.04","0.009","22.596","0.018","10.344","0.01","90","","90","","90","","2814","4","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C30 H28 N6 O4 Zn -","- C30 H28 N6 O4 Zn -","- C120 H112 N24 O16 Zn4 -","4","0.5","","Deng, Xiao-Wei; Wu, Wei-Na","Crystal structure of bis(3-methoxy-N-(1-(pyridin-2-yl)ethylidene)benzohydrazonato κ3 O,N,N′)zinc(II), C30H28N6O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","421","422","10.1515/ncrs-2019-0726","","","0.71073","MoKα","","0.0973","0.0463","","","0.1144","0.1435","","","","","","1.053","","","","has coordinates","274871","2022-05-04","07:51:19",""
"8105129","17.497","0.004","6.8214","0.0015","14.183","0.003","90","","93.441","0.007","90","","1689.7","0.6","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Cl4 N2 O Pt -","- C13 H12 Cl4 N2 O Pt -","- C52 H48 Cl16 N8 O4 Pt4 -","4","0.5","","Kiwada, Tatsuto; Hirasaki, Aika; Odani, Akira","Crystal structure of dichlorido-(4,4′-dichloro-2,2′-bipyridine-κ2 N,N′)platinum(II) — acetone (1/1), C13H12Cl4N2PtO","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","423","424","10.1515/ncrs-2019-0728","","","0.71073","MoKα","","0.0352","0.0309","","","0.0686","0.0696","","","","","","1.082","","","","has coordinates","274872","2022-05-04","07:55:08",""
"8105130","20.159","0.003","8.3357","0.001","21.372","0.003","90","","103.13","0.003","90","","3497.4","0.8","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 F2 N2 O6 -","- C42 H42 F2 N2 O6 -","- C168 H168 F8 N8 O24 -","4","1","","Guo, Yu-Kun; Chen, Shi-Jun; Zhang, Meng-Meng; Lan, Han-Yang; Wang, Yu-Cai; Zhong, Qi-Di","Crystal structure of diethyl 6,12-bis(4-fluorophenyl)-2,10-dimethoxy-3,9-diphenyl-3,9-diazatetracyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C42H42F2N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","425","427","10.1515/ncrs-2019-0729","","","0.71073","MoKα","","0.0632","0.0414","","","0.0986","0.1083","","","","","","1.015","","","","has coordinates","274873","2022-05-04","07:58:26",""
"8105131","9.3625","0.0006","12.7558","0.0007","14.5965","0.0009","68.833","0.002","80.891","0.002","69.242","0.002","1519.15","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N4 O7 -","- C35 H32 N4 O7 -","- C70 H64 N8 O14 -","2","1","","Pan, Ying-Qi; Yu, Meng; Zhang, Yu; Dong, Wen-Kui","Synthesis and crystal structure of (1E,3E)-2-hydroxy-5-methylisophthalaldehyde O,O-di(2-((((E)-(2-hydroxynaphthalen-1-yl)methylene)amino)oxy)ethyl) dioxime, C35H32N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","429","431","10.1515/ncrs-2019-0730","","","0.71073","MoKα","","0.0683","0.0477","","","0.1362","0.15","","","","","","1.019","","","","has coordinates","274874","2022-05-04","08:14:16",""
"8105132","8.468","0.0005","9.7578","0.0005","10.2101","0.0006","104.578","0.005","111.882","0.006","106.589","0.005","686.77","0.09","250","2","250.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C30 H22 N6 O4 -","2","1","","Li, Jin; Chen, Yan; Wu, Ziqing; Liu, Yali; Yin, Dachuan; Zuo, Zhenyu","The crystal structure of 2-phenyl-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine, C15H11N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","433","435","10.1515/ncrs-2019-0733","","x-ray","1.54184","CuKα","","0.0474","0.0394","","","0.1144","0.1261","","","","","","1.084","","","","has coordinates","274875","2022-05-04","08:17:56",""
"8105133","5.9023","0.0009","14.554","0.002","22.801","0.004","90","","90.801","0.002","90","","1958.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethoxy)-2H-chromen-2-one","","- C22 H23 Br N2 O3 -","- C22 H23 Br N2 O3 -","- C88 H92 Br4 N8 O12 -","4","1","","Joubert, Jacques; Foka, Germaine B.","Crystal structure of 7-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethoxy)-2H-chromen-2-one, C22H23BrN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","437","439","10.1515/ncrs-2019-0738","","","0.71073","MoKα","","0.0484","0.0388","","","0.0921","0.0961","","","","","","1.054","","","","has coordinates","274876","2022-05-04","08:21:36",""
"8105134","8.359","0.007","12.394","0.01","15.189","0.012","95.757","0.014","90.593","0.016","106.961","0.015","1496","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Br2 Cd N8 O2 -","- C30 H28 Br2 Cd N8 O2 -","- C60 H56 Br4 Cd2 N16 O4 -","2","1","","Lv, Liangjun; Lin, Long; Wu, Wei-Na","Crystal structure of bis-[N-(3-ethyl-1-pyrazin-2-yl-ethylidene)-3-bromo-benzoic acid-hydrazonato-κ3 O,N,N′)]-cadmium(II), C30H28N8O2Br2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","441","443","10.1515/ncrs-2019-0744","","","0.71073","MoKα","","0.0908","0.0467","","","0.0862","0.0998","","","","","","1.022","","","","has coordinates,has disorder","274877","2022-05-04","08:26:21",""
"8105135","7.1983","0.0006","7.3732","0.0006","9.6439","0.0008","81.489","0.005","88.634","0.004","71.065","0.004","478.66","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F O3 -","- C12 H9 F O3 -","- C24 H18 F2 O6 -","2","1","","Obi, Grace; Zamisa, Sizwe J.; Heerden, Fanie R. van","Crystal structure of 6-(4-fluorophenyl)-4-methoxy-2H-pyran-2-one, C12H9FO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","445","446","10.1515/ncrs-2019-0752","","","0.71073","MoKα","","0.0393","0.0362","","","0.099","0.1015","","","","","","1.046","","","","has coordinates","274878","2022-05-04","08:29:45",""
"8105136","10.8905","0.0006","9.9903","0.0005","12.7101","0.0006","90","","104.912","0.002","90","","1336.28","0.12","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Liu, Peilian; Chen, Lijun; Chen, Jieping; Huang, Guiyuan; Sun, Ying; Zhou, Guohua","Crystal structure of 3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoic acid, C14H18O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","447","449","10.1515/ncrs-2019-0754","","","0.71073","MoKα","","0.0642","0.0502","","","0.1375","0.1504","","","","","","1.014","","","","has coordinates","274879","2022-05-04","08:33:26",""
"8105137","6.5459","0.0003","11.2565","0.0005","11.8529","0.0005","106.938","0.002","105.657","0.002","106.628","0.002","738.71","0.06","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 B Br N O3 -","- C13 H19 B Br N O3 -","- C26 H38 B2 Br2 N2 O6 -","2","1","","Zhang, Ji-Run; Deng, Hao; Liu, Tong","The crystal structure of 3-bromo-6-methoxy-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, C13H19BBrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","451","452","10.1515/ncrs-2019-0756","","","0.71073","MoKα","","0.0369","0.0286","","","0.0607","0.0641","","","","","","1.031","","","","has coordinates","274880","2022-05-04","08:36:23",""
"8105138","10.899","0.002","11.002","0.002","11.847","0.002","90","","112.74","0.03","90","","1310.2","0.5","163","2","163.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C60 H72 O16 -","2","1","","Chen, Xiao F.; Li, Peng; Xu, Juan; Wang, Hui P.; Ning, Li F.","The crystal structure of 6-methyl-3,20-dioxo-19-norpregna-4,6-dien-17-yl acetate–2,4-dihydroxybenzoic acid (1/1), C30H36O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","453","455","10.1515/ncrs-2019-0758","","","0.71073","MoKα","","0.0546","0.0504","","","0.1117","0.1161","","","","","","1.052","","","","has coordinates","274881","2022-05-04","08:39:34",""
"8105139","7.629","0.004","8.893","0.005","14.193","0.008","88.603","0.006","81.093","0.006","83.715","0.006","945.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl Cu N3 O4 -","- C20 H16 Cl Cu N3 O4 -","- C40 H32 Cl2 Cu2 N6 O8 -","2","1","","Xin, Wang; Shuli, Li; Liguo, Yang; Haixiang, Song; Yongsheng, Niu","The crystal structure of (5-chloro-2-hydroxy-N-(4-methoxy-2-oxidobenzylidene)benzohydrazonato-κ3 N,O,O′)-(pyridine-κ1N)copper(II), C20H16ClCuN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","457","458","10.1515/ncrs-2019-0761","","","0.71073","MoKα","","0.0267","0.0245","","","0.0694","0.0709","","","","","","1.044","","","","has coordinates","274882","2022-05-04","08:43:01",""
"8105140","15.727","0.004","5.0572","0.0012","15.452","0.004","90","","105.007","0.004","90","","1187.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Gao, Xiao-Li","Crystal structure of (E)-2-cyano-N′-(1-(3-ethylpyrazin-2-yl)ethylidene)acetohydrazide, C11H3N5O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","459","460","10.1515/ncrs-2019-0764","","","0.71073","MoKα","","0.0839","0.0408","","","0.0952","0.1123","","","","","","1.01","","","","has coordinates,has disorder","274883","2022-05-04","08:47:33",""
"8105141","20.1788","0.0004","13.0247","0.0004","18.0172","0.0005","90","","119.874","0.002","90","","4106.1","0.2","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H56 O P2 -","- C51 H56 O P2 -","- C204 H224 O4 P8 -","4","0.5","","Nyalungu, Nonjabulo; Alapour, Saba; Friedrich, Holger B.; Bala, Muhammad D.","Crystal structure of (2,7-dihexyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane), C51H56OP2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","461","463","10.1515/ncrs-2019-0769","","x-ray","0.71073","MoKα","","0.0459","0.0363","","","0.0914","0.0981","","","","","","1.041","","","","has coordinates","274884","2022-05-04","08:50:46",""
"8105142","11.1861","0.0014","8.1418","0.001","20.461","0.003","90","","97.433","0.001","90","","1847.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-((bis(pyridin-2-ylmethyl)amino)methyl)quinolin-8-ol","","- C22 H20 N4 O -","- C22 H20 N4 O -","- C88 H80 N16 O4 -","4","1","","Jia, Liu; Xu-Liang, Nie; Zhong-Ping, Yin; Da-Yong, Peng; Xu-Gen, Shi","Crystal structure of 5-((bis(pyridin-2-ylmethyl)amino)methyl)quinolin-8-ol, C22H20N4O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","465","467","10.1515/ncrs-2019-0774","","","0.71073","MoKα","","0.0422","0.0357","","","0.0926","0.1002","","","","","","1.051","","","","has coordinates","274885","2022-05-04","09:12:04",""
"8105143","9.1325","0.0007","11.5184","0.0009","11.6535","0.0009","74.682","0.007","84.253","0.006","76.72","0.007","1149.67","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 F N3 O2 S -","- C28 H20 F N3 O2 S -","- C56 H40 F2 N6 O4 S2 -","2","1","","Alotibi, Mohammed F.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","469","471","10.1515/ncrs-2019-0776","","","0.71073","MoKα","","0.1025","0.0574","","","0.1166","0.1438","","","","","","1.034","","","","has coordinates","274886","2022-05-04","09:14:50",""
"8105144","11.8934","0.0005","12.0041","0.0004","12.4578","0.0005","68.718","0.004","64.205","0.004","87.053","0.003","1480.09","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H34 Er2 F12 N4 O12 -","- C66 H34 Er2 F12 N4 O12 -","- C66 H34 Er2 F12 N4 O12 -","1","0.5","","Yu-Fei, Zhong; Wen-Min, Wang; Xiong-Xin, Peng; Guang-Ming, Bao; Chun-Yan, Hu; Hou-Qun, Yuan","The crystal structure of [(tetra-μ 2-2,6-difluorobenzoato-κ 2 O:O′)-bis-(2,6-difluorobenzoato-κ 2 O:O′)-bis-(1,10-phenanthroline-κ 2 N:N′)]dierbium(III) C66H34N4O12F12Er2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","473","475","10.1515/ncrs-2019-0777","","","0.71073","MoKα","","0.0426","0.0326","","","0.0577","0.0626","","","","","","1.061","","","","has coordinates","274887","2022-05-04","09:27:54",""
"8105145","11.737","0.01","9.309","0.008","23.72","0.02","90","","90","","90","","2592","4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cl2 N8 Ni O2 -","- C26 H20 Cl2 N8 Ni O2 -","- C104 H80 Cl8 N32 Ni4 O8 -","4","0.5","","Hao, Zhen-Li; Huang, Cun-Han","Crystal structure of bis(3-chloro-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-k3 N,N′,O)nickel(II), C26H20N8O2Cl2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","477","478","10.1515/ncrs-2019-0778","","","0.71073","MoKα","","0.0668","0.0361","","","0.0788","0.0934","","","","","","1.046","","","","has coordinates","274911","2022-05-05","07:45:33",""
"8105146","8.1464","0.0007","10.3861","0.0008","13.2507","0.0009","84.898","0.006","89.413","0.006","80.351","0.007","1100.88","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N5 O -","- C27 H21 N5 O -","- C54 H42 N10 O2 -","2","1","","Alotibi, Mohammed F.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of (E)-3-(3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-one, C27H21N5O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","479","481","10.1515/ncrs-2019-0779","","","0.71073","MoKα","","0.1258","0.0648","","","0.1334","0.1726","","","","","","1.049","","","","has coordinates","274912","2022-05-05","07:48:44",""
"8105147","8.0984","0.0004","17.3203","0.001","9.6802","0.0004","90","","124.031","0.003","90","","1125.26","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O2 S -","- C9 H13 N3 O2 S -","- C36 H52 N12 O8 S4 -","4","1","","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ghabbour, Hazem A.; Obaidullaha, Ahmad J.","Crystal structure of (E)-N′-((4-aminophenyl)sulfonyl)-N,N-dimethylformimidamide, C9H13N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","483","484","10.1515/ncrs-2019-0781","","","0.71073","MoKα","","0.0776","0.0504","","","0.1159","0.1275","","","","","","1.066","","","","has coordinates","274913","2022-05-05","07:54:46",""
"8105148","9.2401","0.0002","10.0187","0.0003","12.6892","0.0003","78.921","0.001","81.596","0.001","83.654","0.001","1136.3","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 F6 I N2 P Ru -","- C19 H26 F6 I N2 P Ru -","- C38 H52 F12 I2 N4 P2 Ru2 -","2","1","","Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.","Crystal structure of η6-p-cymene-iodido-(N-isopropyl-1-(pyridin-2-yl)methanimine-κ2 N,N′)ruthenium(II) hexafluorophosphate(V), C19H26IN2F6Ru","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","485","487","10.1515/ncrs-2019-0786","","x-ray","0.71073","MoKα","","0.0195","0.0174","","","0.0429","0.044","","","","","","1.042","","","","has coordinates","274914","2022-05-05","07:58:35",""
"8105149","23.6958","0.0012","5.5334","0.0002","15.9712","0.0009","90","","132.329","0.003","90","","1548.16","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H15 I N2 O -","- C17 H15 I N2 O -","- C68 H60 I4 N8 O4 -","4","1","","El-Azab, Adel S.; Ghabbour, Hazem A.; Abdel-Aziz, Alaa A.-M.; Alkahtani, Hamad M.","Crystal structure of 6-iodo-3-phenyl-2-propylquinazolin-4(3H)-one, C17H15IN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","489","491","10.1515/ncrs-2019-0788","","","0.71073","MoKα","","0.1139","0.0464","","","0.0782","0.0931","","","","","","1.013","","","","has coordinates","274915","2022-05-05","08:02:14",""
"8105150","8.7913","0.0002","19.0856","0.0005","13.9417","0.0004","90","","91.017","0.002","90","","2338.87","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 F3 N O2 Sn -","- C27 H22 F3 N O2 Sn -","- C108 H88 F12 N4 O8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Low temperature redetermination of the crystal structure of catena-poly[[tri-4-fluorobenzyltin(IV)]μ2-pyridine-4-carboxylato-κ2 N:O], {C27H22F3NO2Sn}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","493","496","10.1515/ncrs-2019-0791","","","1.54184","CuKα","","0.0376","0.0324","","","0.0836","0.0873","","","","","","1.069","","","","has coordinates","274916","2022-05-05","08:06:12",""
"8105151","13.37","0.002","10.0304","0.0014","17.913","0.002","90","","93.95","0.004","90","","2396.5","0.6","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl4 N4 Zn -","- C20 H26 Cl4 N4 Zn -","- C80 H104 Cl16 N16 Zn4 -","4","1","","Shi, Xiao-Ming; Li, Shu-Jing; Xiao, Li-Na; Li, Meng-Jing","Crystal structure of bis(2-propyl-1H-benzo[d]imidazol-3-ium) tetrachloridozincate(II), C10H13Cl4N2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","497","499","10.1515/ncrs-2019-0794","","","0.71073","MoKα","","0.0814","0.0461","","","0.0882","0.1038","","","","","","1.044","","","","has coordinates","274917","2022-05-05","08:17:21",""
"8105152","10.4813","0.0005","6.8663","0.0004","17.2605","0.0009","90","","90","","90","","1242.2","0.11","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Z)-3-hydrazono-5-nitroindolin-2-one","","- C10 H12 N4 O4 S -","- C10 H12 N4 O4 S -","- C40 H48 N16 O16 S4 -","4","0.5","","Al-Obaid, Abdulrahman M.; Syed, Saeed Ali; Ahmed, Bari; Hosten, Eric C.","The crystal structure of (Z)-3-hydrazono-5-nitroindolin-2-one – dimethyl sulfoxide (1/1), C8H6N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","501","502","10.1515/ncrs-2019-0806","","","0.71073","MoKα","","0.0598","0.0506","","","0.1496","0.159","","","","","","1.073","","","","has coordinates","274918","2022-05-05","08:21:10",""
"8105153","10.218","0.007","10.49","0.007","11.101","0.008","79.59","0.011","65.913","0.012","66.785","0.01","998","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N10 O2 Zn -","- C18 H16 N10 O2 Zn -","- C36 H32 N20 O4 Zn2 -","2","1","","Gao, Xiao-Li; Geng, Rong-Li; Chen, Pai","Crystal structure of bis-[N-(1-pyrazin-2-yl-ethylidene)-cyanoacetic acid-hydrazonato-κ3 O,N,N′)]-zinc(II), C18H16N10O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","503","504","10.1515/ncrs-2019-0813","","","0.71073","MoKα","","0.0695","0.0516","","","0.123","0.1323","","","","","","1.087","","","","has coordinates","274919","2022-05-05","08:24:57",""
"8105154","8.379","0.003","11.509","0.002","12.817","0.003","71.272","0.003","81.342","0.004","77.553","0.003","1138.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F6 N O S2 -","- C23 H17 F6 N O S2 -","- C46 H34 F12 N2 O2 S4 -","2","1","","Wu, Xiaoxiao; Liu, Hongliang; Yang, Yuping; Pu, Shouzhi","Crystal structure and photochromism of 1-(2,5-dimethyl-3-thienyl)-2-[2-methyl-5-(benzaldoxime)-3-thienyl] perfluorocyclopentene, C23H17F6NOS2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","505","507","10.1515/ncrs-2019-0815","","","0.71073","MoKα","","0.0715","0.0489","","","0.1143","0.1296","","","","","","1.044","","","","has coordinates,has disorder","274920","2022-05-05","08:28:00",""
"8105155","8.38373","0.00015","14.5293","0.0002","10.5147","0.0002","90","","101.064","0.0018","90","","1256.99","0.04","289.51","0.1","289.51","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Ag N O4 S -","- C15 H8 Ag N O4 S -","- C60 H32 Ag4 N4 O16 S4 -","4","1","","Wang, Jian-Ge.","Crystal structure of catena-poly[(μ2-3-(benzo[d]thiazol-2-yl)-5-carboxybenzoato-κ 2 N:O)silver(I)], C15H8AgNO4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","509","510","10.1515/ncrs-2019-0676","","x-ray","0.71073","MoKα","","0.0386","0.034","","","0.0707","0.0724","","","","","","1.101","","","","has coordinates","274921","2022-05-05","08:33:35",""
"8105156","9.4869","0.0001","11.2213","0.0001","12.0819","0.0001","74.608","0.001","78.441","0.001","86.82","0.001","1214.9","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H70 Cu N8 O12 -","- C48 H70 Cu N8 O12 -","- C48 H70 Cu N8 O12 -","1","0.5","","Shin, Jiehye; Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of bis(4-phenylpiperazin-1-ium) bis(2-(4-phenylpiperazin-1-yl)succinato-κ2O,O′)copper(II) tetrahydrate, C48H70CuN8O12, [C10H14N2]2[Cu(C14H17N2O4)2] ⋅ 4 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","511","513","10.1515/ncrs-2019-0706","","","0.71073","MoKα","","0.0701","0.046","","","0.1114","0.1239","","","","","","1.037","","","","has coordinates","274922","2022-05-05","08:36:48",""
"8105157","25.5446","0.0014","7.38025","0.00019","18.845","0.001","90","","136.543","0.01","90","","2443.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H76 Ca O19 S2 -","- C44 H76 Ca O19 S2 -","- C88 H152 Ca2 O38 S4 -","2","0.5","","Ding, Yuan-Min; Li, Rui-Peng; Chang, Ying-Jie; Zhao, Jie; Liu, Hong-Min; Li, Wen","Crystal structure of triaqua-bis(2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)-1-(2-oxo-2,5-dihydrofuran-3-yl)ethane-1-sulfonato-κ2 O,O′)calcium(II) – ethanol (1/2), C44H76CaO19S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","515","517","10.1515/ncrs-2019-0709","","x-ray","1.54184","CuKα","","0.0425","0.0419","","","0.115","0.1161","","","","","","1.038","","","","has coordinates","274923","2022-05-05","09:12:21",""
"8105158","8.21802","0.00018","7.42687","0.00017","34.2757","0.0008","90","","91.149","0.002","90","","2091.57","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Wang, Chang; Bai, Tao; Liu, Zhaod-Di","The crystal structure of ethyl 5-(4-(diphenylamino)phenyl)thiophene-2-carboxylate, C25H21NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","519","520","10.1515/ncrs-2019-0725","","","0.71073","MoKα","","0.0519","0.0388","","","0.1168","0.1337","","","","","","1.061","","","","has coordinates","274924","2022-05-05","09:15:34",""
"8105159","8.3319","0.0004","10.0666","0.0005","11.4042","0.0006","107.213","0.005","99.394","0.004","95.54","0.004","890.71","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Br N5 -","- C7 H6 Br N5 -","- C28 H24 Br4 N20 -","4","2","","Mou, Xiao-Dong; Xu, Yang-Rong; Liu, Li; Zhang, Xiao-Fan; Meng, Qing-Guo","The crystal structure of 5-bromo-2-(2-methyl-2H-tetrazol-5-yl)pyridine, C7H6BrN5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","521","522","10.1515/ncrs-2019-0732","","x-ray","0.71073","MoKα","","0.0873","0.0452","","","0.0825","0.0972","","","","","","1.023","","","","has coordinates","274925","2022-05-05","09:18:59",""
"8105160","16.632","0.002","7.2033","0.0009","12.9261","0.0017","90","","112.87","","90","","1426.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O4 -","- C15 H13 Cl N2 O4 -","- C60 H52 Cl4 N8 O16 -","4","1","","Xin, Wang; Shuli, Li; Liguo, Yang; Dayong, Tian; Yongsheng, Niu","The crystal structure of (E)-5-chloro-2-hydroxy-N′-(2-hydroxy-4-methoxybenzylidene)benzohydrazide, C15H13ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","523","525","10.1515/ncrs-2019-0734","","","0.71073","MoKα","","0.0533","0.0409","","","0.1154","0.126","","","","","","1.035","","","","has coordinates","275093","2022-05-06","08:24:28",""
"8105161","20.297","0.007","10.122","0.003","9.078","0.003","90","","95.675","0.004","90","","1855.9","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N9 O2 -","- C19 H17 N9 O2 -","- C76 H68 N36 O8 -","4","0.5","","Liguo, Yang; Juntao, Shi; Zhen, Zhang; Fang, Wang; Dayong, Tian","The crystal structure of (2Z,2′Z)-N′,N′′′′-(pyridine-2,6-dicarbonyl)dipicolinohydrazonamide, C19H17N9O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","527","529","10.1515/ncrs-2019-0735","","","0.71073","MoKα","","0.0718","0.0467","","","0.1065","0.1205","","","","","","1.024","","","","has coordinates","275094","2022-05-06","08:27:49",""
"8105162","26.2504","0.0011","8.6981","0.0004","13.3064","0.0006","90","","107.659","0.002","90","","2895.1","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 F6 N6 S2 -","- C29 H20 F6 N6 S2 -","- C116 H80 F24 N24 S8 -","4","0.5","","Li, Guoyin","Photochromic properties and crystal structure of 3,3′-(perfluorocyclopent-1-ene-1,2-diyl)bis(5-(4-(azidomethyl)phenyl)-2-methylthiophene), C29H20F6N6S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","531","533","10.1515/ncrs-2019-0753","","","0.71073","MoKα","","0.0552","0.0436","","","0.1201","0.1314","","","","","","1.084","","","","has coordinates,has disorder","275095","2022-05-06","08:31:10",""
"8105163","8.7419","0.0015","22.717","0.004","9.6256","0.0016","90","","112.546","0.002","90","","1765.4","0.5","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl2 Fe N3 O4 -","- C15 H15 Cl2 Fe N3 O4 -","- C60 H60 Cl8 Fe4 N12 O16 -","4","1","","Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian","Crystal structure of aqua-dichlorido-(4-(((3-ethoxy-2-oxidobenzylidene)hydrazono)(oxido)methyl)pyridin-1-ium-κ3 N,O,O′)iron(III), C15H16Cl2N3O4Fe","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","535","537","10.1515/ncrs-2019-0760","","","0.71073","MoKα","","0.03","0.0269","","","0.0761","0.0783","","","","","","1.068","","","","has coordinates,has disorder","275096","2022-05-06","08:34:12",""
"8105164","24.174","0.0004","11.3727","0.0002","11.7918","0.0002","90","","90","","90","","3241.84","0.1","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H14 Br8 N2 Ni O10 -","- C26 H14 Br8 N2 Ni O10 -","- C104 H56 Br32 N8 Ni4 O40 -","4","0.5","","Li, Yong-Shuang; Han, Min-Le","Crystal structure of catena-poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)-bis(2,3,4,5-tetrabromo-6-carboxybenzoato-κ1 O)-nickel(II)], C26H14Br8NiN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","539","540","10.1515/ncrs-2019-0766","","x-ray","1.54184","CuKα","","0.032","0.03","","","0.0788","0.0804","","","","","","1.052","","","","has coordinates","275097","2022-05-06","08:38:08",""
"8105165","16.445","0.002","10.092","0.0014","23.865","0.003","90","","100.115","0.008","90","","3899.1","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Eu2 N10 O12 -","- C36 H32 Eu2 N10 O12 -","- C144 H128 Eu8 N40 O48 -","4","0.5","","Yan, Jin-Long","Crystal structure of diethanol-κ1 O-bis(μ2-N-((2-oxidonaphthalen-1-yl)methylene)pyrazine-2-carbohydrazonato-κ5 N,O,O′:O′:N′)-bis(nitrato-κ2 O,O′)dieuropium(III), C36H32N10O12Eu2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","541","542","10.1515/ncrs-2019-0772","","","1.54178","CuKα","","0.0928","0.0687","","","0.1736","0.2065","","","","","","1.111","","","","has coordinates","275098","2022-05-06","09:01:29",""
"8105166","4.9752","0.0011","14.167","0.003","10.999","0.002","90","","99.066","0.005","90","","765.6","0.3","150","2","150.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","0.5","","Cai, Bin; Zhu, Meng-En; Meng, Yu-Ning; Li, Kun","The crystal structure of 2-aminoisophthalic acid, C8H7NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","543","544","10.1515/ncrs-2019-0783","","","0.71073","MoKα","","0.0837","0.0571","","","0.1495","0.163","","","","","","1.115","","","","has coordinates","275099","2022-05-06","09:07:13",""
"8105167","8.3962","0.0008","11.1939","0.0019","11.596","0.002","64.877","0.017","85.781","0.011","86.894","0.01","983.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 F2 O4 -","- C24 H20 F2 O4 -","- C48 H40 F4 O8 -","2","1","","Xia, Chun; Xie, Qiang; Ruan, Ban-Feng; Zhou, Ben-Guo","Crystal structure of (E)-2-(4-((3,4-difluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H20F2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","545","546","10.1515/ncrs-2019-0787","","","0.71073","MoKα","","0.1294","0.0658","","","0.1309","0.175","","","","","","1.033","","","","has coordinates","275100","2022-05-06","09:19:58",""
"8105168","12.931","0.003","10.486","0.002","23.004","0.005","90","","104.8","0.03","90","","3015.7","1.2","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 O -","- C23 H14 O -","- C184 H112 O8 -","8","2","","Li, Jing-Yang; Miao, Bao-Xi; Zhao, Yun; Zhang, Li-Fang","Crystal structure of 2-benzoylpyrene, C23H14O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","547","549","10.1515/ncrs-2019-0790","","","0.71073","MoKα","","0.0755","0.0524","","","0.1233","0.1375","","","","","","1.067","","","","has coordinates","275101","2022-05-06","09:22:53",""
"8105169","7.3048","0.0001","12.954","0.0003","28.7076","0.0006","90","","96.699","0.001","90","","2697.95","0.09","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl F7 N2 O P Ru -","- C25 H29 Cl F7 N2 O P Ru -","- C100 H116 Cl4 F28 N8 O4 P4 Ru4 -","4","1","","Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.","Crystal structure of chlorido-(η 6-p-cymene)-(N-(2-fluorophenyl)-1-(pyridin-2-yl)methanimine-κ 2 N,N′)ruthenium(II) – acetone (1/1), C22H23ClN2F7OPRu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","551","553","10.1515/ncrs-2019-0793","","x-ray","0.71073","MoKα","","0.0205","0.0196","","","0.0474","0.0479","","","","","","1.136","","","","has coordinates","275102","2022-05-06","09:27:33",""
"8105170","11.9715","0.0014","7.5753","0.0007","7.4498","0.0008","90","","102.302","0.004","90","","660.09","0.12","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C24 H16 Br4 N4 O8 -","4","1","","Jia, Hua-Li; Zhou, Juan; Wang, Xin; Zhao, Hui; Feng, Bo-Fang","The crystal structure of 2-bromoisonicotinic acid, C6H4BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","555","556","10.1515/ncrs-2019-0798","","","0.71073","MoKα","","0.0438","0.029","","","0.0582","0.0635","","","","","","1.0345","","","","has coordinates","275103","2022-05-06","09:30:29",""
"8105171","10.4564","0.0013","11.3627","0.0014","15.3946","0.0019","82.106","0.002","75.318","0.002","77.704","0.002","1722","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C88 H68 N4 O8 -","2","1","","Li, Xue; Zhang, Meng-Meng; Chong, Ying-Zhi; Cui, Li-Hua; Ma, Yu; Feng, Fu-Min","Crystal structure of 1,3,5,7-tetraphenyl-8-(N-phenylformamido)-2-oxa-5-azabicyclo[4.2.0]oct -3-en-7-yl benzoate, C44H34N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","557","559","10.1515/ncrs-2019-0799","","","0.71073","MoKα","","0.0684","0.042","","","0.0935","0.1086","","","","","","1.015","","","","has coordinates","275104","2022-05-06","09:33:33",""
"8105217","9.4256","0.0009","10.1906","0.0009","11.6539","0.0009","101.896","0.007","104.77","0.008","93.271","0.008","1052.02","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O4 S -","- C21 H21 N3 O4 S -","- C42 H42 N6 O8 S2 -","2","1","","Yu, Xiang; Chen, Ya-Fang; Huang, Guo-Juan; Zhang, You-Fang; Yang, Wu-De","Synthesis and crystal structure of 4-(3-acetyl-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one, C21H21N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","561","562","10.1515/ncrs-2019-0807","","x-ray","1.54184","CuKα","","0.056","0.0469","","","0.126","0.1354","","","","","","1.053","","","","has coordinates,has disorder","275330","2022-05-11","08:22:24",""
"8105218","7.465","0.0002","10.6954","0.0002","22.7513","0.0005","90","","90","","90","","1816.49","0.07","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 F4 N2 Ni O6 -","- C18 H12 F4 N2 Ni O6 -","- C72 H48 F16 N8 Ni4 O24 -","4","0.5","","Li, Yan-Hong; Han, Min-Le","Crystal structure of poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)-(μ2-3,4,5,6-tetrafluorophthalato-κ2 O:O′)nickel(II)], C18H12F4NiN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","563","564","10.1515/ncrs-2019-0808","","x-ray","1.54184","CuKα","","0.0337","0.0304","","","0.0867","0.0898","","","","","","1.052","","","","has coordinates","275331","2022-05-11","08:26:36",""
"8105219","3.7133","0.0001","9.7214","0.0004","15.5765","0.0006","90","","96.121","0.002","90","","559.08","0.03","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C32 H16 O8 -","2","1","","Luo, Peng; Chittiboyina, Amar G.; Pan, Wei-Gao; Wei, Wan-Xing","Crystal structure of 4-hydroxynaphtho[2,3-b]benzofuran-6,11-dione, C16H8O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","565","567","10.1515/ncrs-2019-0809","","","1.54178","CuKα","","0.0513","0.0506","","","0.1264","0.1274","","","","","","1.097","","","","has coordinates","275332","2022-05-11","08:56:17",""
"8105220","21.3971","0.0008","15.2249","0.0006","11.261","0.0005","90","","92.125","0.004","90","","3666","0.3","128.15","","128.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 N2 O5 -","- C45 H48 N2 O5 -","- C180 H192 N8 O20 -","4","1","","Wang, Xiaoxia; Zhang, Danyang; Zhuang, Pengyu; Zhang, Yao; Xu, Jiale","The crystal structure of 3,10-bis(4-methoxyphenyl)-6,12-dibenzyl-2,9-acetyl-6,12-diazapentacyclo[6.3.1.02,7.04,11.05,9]dodecane – acetone (1/1), C45H48N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","569","570","10.1515/ncrs-2019-0814","","x-ray","0.71073","MoKα","","0.0732","0.0519","","","0.1175","0.1308","","","","","","1.032","","","","has coordinates","275333","2022-05-11","09:07:21",""
"8105221","8.9886","0.0008","8.2159","0.0007","20.164","0.002","90","","92.58","0.009","90","","1487.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E<i>)-2-(((2-(1H-indol-3-yl)ethyl)iminio)methyl)-6-bromophenolate","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","1","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of (E)-2-(((2-(1H-indol-3-yl)ethyl)iminio)methyl)-6-bromophenolate, C17H15N2BrO","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","571","572","10.1515/ncrs-2019-0817","","x-ray","0.71073","MoKα","","0.0493","0.037","","","0.0666","0.0716","","","","","","1.05","","","","has coordinates","275334","2022-05-11","09:10:41",""
"8105222","7.8375","0.0003","7.8877","0.0004","12.0841","0.0006","85.956","0.002","89.833","0.002","68.269","0.001","692","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cd N3 O9 -","- C8 H14 Cd N3 O9 -","- C16 H28 Cd2 N6 O18 -","2","1","","Zheng, Xinging; Li, Li; Ran, Jingwen","Crystal structure of catena-poly[diaqua-(μ2-oxalyl dihydrazide-κ4 N,O:N′,O′)-bis(μ2-pyridine-2,3-dicarboxylato-κ3 N,O,O′)dicadmium(II)] hexahydrate, C16H28O18N6Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","573","574","10.1515/ncrs-2019-0823","","","0.71073","MoKα","","0.0173","0.0159","","","0.0384","0.0395","","","","","","1.109","","","","has coordinates","275335","2022-05-11","09:21:16",""
"8105223","23.8455","0.0006","9.4617","0.0002","21.094","0.0005","90","","115.73","0.001","90","","4287.33","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 O17 Pb5 -","- C48 H24 O17 Pb5 -","- C192 H96 O68 Pb20 -","4","0.5","","Zhou, Fang-Xia","Crystal structure of poly[tetra-(μ4-naphthalene-1,8-dicarboxylato-κ4 O:O,O′: O′′:O′′,O′′′)-(μ4-oxo-κ4 O:O:O:O) penta-lead(II)], C48H24O17Pb5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","575","577","10.1515/ncrs-2019-0824","","","0.71073","MoKα","","0.0438","0.029","","","0.0541","0.058","","","","","","1.014","","","","has coordinates","275336","2022-05-11","09:24:40",""
"8105224","17.277","0.003","4.7288","0.0008","17.776","0.003","90","","90","","90","","1452.3","0.4","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 Bi O3 -","- C16 H15 Bi O3 -","- C64 H60 Bi4 O12 -","4","1","","Tan, Nianyuan; Wu, Shuisheng; Lan, Donghui; Au, Chak-Tong; Yi, Bing","Crystal structure of 5H-dibenzo[c,f][1,5]oxabismocin-12 (7H)-yl acetate, C16H15O3Bi","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","579","581","10.1515/ncrs-2019-0825","","","0.71073","MoKα","","0.0327","0.0292","","","0.0661","0.0678","","","","","","1.025","","","","has coordinates,has disorder","275337","2022-05-11","09:27:56",""
"8105225","11.4268","0.0016","5.125","0.0008","23.569","0.004","90","","91.738","0.006","90","","1379.6","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl2 N4 O5 -","- C12 H6 Cl2 N4 O5 -","- C48 H24 Cl8 N16 O20 -","4","1","","Cai, Cao; Jingqi, Wang; Min, Li; Jun, Chen; Jianlong, Wang","The crystal structure of 2-(4-chloro-6-nitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene 1-oxide, C12H6Cl2N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","583","584","10.1515/ncrs-2019-0832","","","0.71073","MoKα","","0.0995","0.0555","","","0.1292","0.1632","","","","","","1.081","","","","has coordinates","275338","2022-05-11","09:31:16",""
"8105226","11.813","0.01","21.433","0.017","10.03","0.008","90","","90","","90","","2539","4","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","","Yang, Xue-Mei; Zhu, Tao; Lin, Long","Crystal structure of bis(3-methyl-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)nickel(II), C28H26N8O2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","585","586","10.1515/ncrs-2019-0833","","","0.71073","MoKα","","0.0904","0.0457","","","0.0838","0.0992","","","","","","1.003","","","","has coordinates","275339","2022-05-11","09:33:51",""
"8105227","10.6137","0.0002","20.1559","0.0004","31.4991","0.0005","90","","90","","90","","6738.6","0.2","128.15","","128.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl2 N2 O2 -","- C40 H36 Cl2 N2 O2 -","- C320 H288 Cl16 N16 O16 -","8","1","","Wang, Xiaoxia; Zhang, Danyang; Zhuang, Pengyu; Zhang, Yao; Xu, Jiale","Crystal structure of 3,10-bis(4-chlorophenyl)-6,12-dibenzyl-2,9-acetyl-6,12-diazapentacyclo[6.3.1.02,7.04,11.05,9]-dodecane, C40H36Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","587","588","10.1515/ncrs-2019-0834","","x-ray","0.71073","MoKα","","0.0613","0.0471","","","0.1155","0.1242","","","","","","1.023","","","","has coordinates","275357","2022-05-12","07:32:10",""
"8105228","13.7767","0.0001","7.9925","0.0001","21.249","0.0002","90","","93.149","0.001","90","","2336.2","0.04","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O7 Pb -","- C26 H20 N2 O7 Pb -","- C104 H80 N8 O28 Pb4 -","4","1","","Dai, Ben-Cai; Liu, Chang-Chun; Zhou, Yang; Chen, Jin; Fu, Yang; Zhao, Pei-Zheng","Crystal structure of bis[(μ2-4⋯O,O′:O′)-(4-hydroxybenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)]-di-lead(II)μ-4-hydroxybenzoato-κ3 O,O′:O′;κ3 O,O′:O′-bis-[(4-hydroxybenzoato-κ2 O,O′)bis(1,10-phenanthroline-κ2 N,N′)di-lead(II)] monohydrate, C52H36N4O12Pb2 ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","589","591","10.1515/ncrs-2019-0835","","x-ray","1.54184","CuKα","","0.023","0.022","","","0.0574","0.0582","","","","","","1.074","","","","has coordinates","275358","2022-05-12","07:36:51",""
"8105229","6.1183","0.0002","7.5688","0.0002","32.5016","0.0007","90","","90.672","0.002","90","","1504.99","0.07","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Co F4 N O6 -","- C14 H9 Co F4 N O6 -","- C56 H36 Co4 F16 N4 O24 -","4","1","","Han, Min-Le; Li, Xiao-Dong; Li, Yan-Hong","Crystal structure of poly[diaqua-(μ3-3,4,5,6-tetrafluoro-phthalato-κ3O:O′:O′′)-(μ2-1,2-bis(4-pyridyl)ethene-κ2 N:N′)cobalt(II)], C14H9CoF4NO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","593","594","10.1515/ncrs-2019-0837","","x-ray","1.54184","CuKα","","0.045","0.0398","","","0.1016","0.1037","","","","","","1.106","","","","has coordinates","275359","2022-05-12","07:41:54",""
"8105230","10.2949","0.0009","11.1616","0.0009","19.2902","0.0018","90","","90","","90","","2216.6","0.3","100.02","","100.02","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C120 H80 O24 -","8","2","","Mzozoyana, Vuyisa; Zamisa, Sizwe J.","Crystal structure of 7-hydroxy-4-phenyl-2H-chromen-2-one, C15H10O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","595","597","10.1515/ncrs-2019-0839","","x-ray","0.71073","MoKα","","0.0356","0.0302","","","0.0751","0.0783","","","","","","1.023","","","","has coordinates","275360","2022-05-12","07:54:46",""
"8105231","8.2441","0.0005","11.6409","0.0006","12.0107","0.0009","64.328","0.006","70.778","0.006","86.678","0.004","976.09","0.13","100","10","100","10","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C40 H48 N8 O12 -","2","1","","Li, Peizhe; Liu, Lei; Lou, Benyong; Zhan, Hongbing","Crystal structure of 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione 4-hydroxybenzoic acid, C20H24N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","599","600","10.1515/ncrs-2019-0841","","","0.71073","MoKα","","0.0854","0.0671","","","0.1587","0.1702","","","","","","1.077","","","","has coordinates","275361","2022-05-12","08:04:38",""
"8105232","16.8032","0.0017","13.278","0.0013","17.9636","0.0018","90","","90","","90","","4007.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N6 O7 Zn -","- C17 H16 N6 O7 Zn -","- C136 H128 N48 O56 Zn8 -","8","1","","Tao, Defu; Pang, Haixia; Hu, Chuanqun; Tang, Qiang","Crystal structure of catena-poly[(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2 N:O)-bis(nitrato-κ1 O)zinc(II)], C17H16N6O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","601","603","10.1515/ncrs-2019-0844","","","0.71073","MoKα","","0.0354","0.0269","","","0.0836","0.0879","","","","","","1.07","","","","has coordinates","275362","2022-05-12","08:12:04",""
"8105233","8.2501","0.001","12.7943","0.0012","7.1562","0.0007","90","","113.912","0.013","90","","690.53","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-amino-6-pyridinecarboxylate-aqua)magnesium(II)","","- C12 H14 Mg N4 O6 -","- C12 H14 Mg N4 O6 -","- C24 H28 Mg2 N8 O12 -","2","0.5","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of diaqua-bis(6-aminopicolinato-κ2 N,O)magnesium(II), C12H14O6N4Mg","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","605","606","10.1515/ncrs-2019-0845","","x-ray","0.71073","MoKα","","0.0472","0.0386","","","0.0866","0.0921","","","","","","1.06","","","","has coordinates","275363","2022-05-12","09:18:05",""
"8105234","9.7478","0.0004","20.6247","0.0007","19.0897","0.0011","90","","92.767","0.005","90","","3833.4","0.3","108.4","0.2","108.4","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl2 N9 Ni O12 -","- C33 H39 Cl2 N9 Ni O12 -","- C132 H156 Cl8 N36 Ni4 O48 -","4","1","","Zhang, Jun-Chao; Chen, Jiang-Li; Nie, Feng-Mei","Crystal structure of (pyridine-2-carboxamide-κ2 N,O)-[tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′]nickel(II) diperchlorate — methanol (1/3), C33H39Cl2N9NiO12","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","607","609","10.1515/ncrs-2019-0847","","","0.71073","MoKα","","0.0784","0.0527","","","0.1008","0.1143","","","","","","1.036","","","","has coordinates,has disorder","275364","2022-05-12","09:21:48",""
"8105235","5.4881","0.0003","11.6495","0.0006","13.1533","0.0006","84.979","0.002","84.37","0.002","80.602","0.002","823.46","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Co F6 N4 O6 -","- C32 H26 Co F6 N4 O6 -","- C32 H26 Co F6 N4 O6 -","1","0.5","","Wang, Lei; Ma, Leijuan","Crystal structure of catena-poly[diaqua-bis(3-(4-trifluoromethyl-phenyl)-acrylato-κO 1)-(μ2-1,4-bis(1-imidazolyl)benzene-κ2 N 3:N3′)cobalt(II)], C32H26CoF6N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","611","613","10.1515/ncrs-2019-0852","","","0.71073","MoKα","","0.044","0.0381","","","0.1033","0.1069","","","","","","1.067","","","","has coordinates","275365","2022-05-12","09:24:00",""
"8105236","8.8121","0.0004","10.6053","0.0004","12.7365","0.0005","80.943","0.002","70.89","0.002","78.105","0.002","1095.32","0.08","302","2","301.72","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C44 H54 N2 O12 S2 -","2","1","","Yu, Qing; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li","Crystal structure of (E)-3-(2-(2-hydroxy-4-methoxystyryl)-3,3-dimethyl-3H-indol-1-ium-1-yl)propane-1-sulfonate monohydrate, C22H25NO5S⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","615","616","10.1515/ncrs-2019-0854","","","0.71073","MoKα","","0.0476","0.0378","","","0.0881","0.0949","","","","","","1.017","","","","has coordinates","275366","2022-05-12","09:26:50",""
"8105237","19.6175","0.0012","7.2887","0.0005","9.3499","0.0006","90","","90","","90","","1336.91","0.15","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide)-diaqua zinc","","- C6 H12 N10 O6 Zn -","- C6 H12 N10 O6 Zn -","- C24 H48 N40 O24 Zn4 -","4","0.5","","Wang, Hui; Xiao, Zi-Jing","The crystal structure of bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide κ2 O,O′)-diaqua-zinc(II), C6H12ZnN10O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","617","619","10.1515/ncrs-2019-0856","","","0.71073","MoKα","","0.0367","0.0276","","","0.0605","0.064","","","","","","1.113","","","","has coordinates","275392","2022-05-13","07:28:59",""
"8105238","4.8032","0.0001","19.5545","0.0005","19.6915","0.0006","90","","90.64","0.001","90","","1849.39","0.08","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N4 O6 -","- C19 H13 Cl N4 O6 -","- C76 H52 Cl4 N16 O24 -","4","1","","Akintayo, Damilola Caleb; Zamisa, Sizwe J.; Omondi, Bernard; Jonnalagadda, Sreekantha B.","Crystal structure of (E)-4-((4-chlorophenylimino)methyl)pyridinium 3,5-dinitrobenzoate, C19H13ClN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","621","623","10.1515/ncrs-2019-0860","","x-ray","0.71073","MoKα","","0.043","0.0369","","","0.0944","0.1011","","","","","","1.034","","","","has coordinates","275393","2022-05-13","07:36:03",""
"8105239","9.2965","0.0006","15.3678","0.0011","16.6358","0.0011","102.76","0.001","90.385","0.002","94.112","0.003","2311.4","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cl2 N4 O2 Zn -","- C24 H20 Cl2 N4 O2 Zn -","- C96 H80 Cl8 N16 O8 Zn4 -","4","2","","Adeleke, Adesola A.; Zamisa, Sizwe J.; Omondi, Bernard","Crystal structure of dichlorido-bis((E)-2-((pyridin-4-ylmethylene)amino)phenol)zinc(II), C24H20Cl2N4O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","625","628","10.1515/ncrs-2019-0863","","x-ray","0.71073","MoKα","","0.034","0.026","","","0.0616","0.0653","","","","","","1.027","","","","has coordinates","275394","2022-05-13","07:40:31",""
"8105240","17.3126","0.0019","17.3126","0.0019","19.725","0.002","90","","90","","90","","5912.1","1.1","223","2","223","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","<i>cyclo</i>[tetrachlorido-bis(μ~2~-<i>p</i>-xylylenediamine)dipalladium(II)] dimethyl sulfoxide solvate","","- C20 H36 Cl4 N4 O2 Pd2 S2 -","- C20 H36 Cl4 N4 O2 Pd2 S2 -","- C160 H288 Cl32 N32 O16 Pd16 S16 -","8","0.5","","Ha, Kwang","Crystal structure of cyclo-[tetrachlorido-bis(μ2-p-xylylenediamine-κ2 N:N′)dipalladium(II)] dimethyl sulfoxide solvate, C20H36Cl4N4O2Pd2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","629","630","10.1515/ncrs-2019-0867","","","0.71073","MoKα","","0.0436","0.0284","","","0.0492","0.0536","","","","","","1.106","","","","has coordinates","275395","2022-05-13","07:43:35",""
"8105241","20.3523","0.0017","11.2575","0.0009","10.1604","0.0008","90","","104.434","0.001","90","","2254.4","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F O3 -","- C15 H9 F O3 -","- C120 H72 F8 O24 -","8","2","","Mzozoyana, Vuyisa; Zamisa, Sizwe J.","Crystal structure of 4-(3-fluorophenyl)-7-hydroxy-2H-chromen-2-one, C15H9FO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","631","633","10.1515/ncrs-2019-0869","","","0.71073","MoKα","","0.0376","0.034","","","0.093","0.0961","","","","","","1.057","","","","has coordinates,has disorder","275396","2022-05-13","07:52:08",""
"8105242","7.3721","0.0001","13.30639","0.00019","17.1682","0.0002","90","","97.2301","0.0012","90","","1670.74","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N5 O5 -","- C15 H16 Cl N5 O5 -","- C60 H64 Cl4 N20 O20 -","4","1","","Yang, Huanhuan; Shi, Fanyu; Xu, Qingqing; Wang, Jinghai; Xing, Ai-Ping","Crystal structure of (E)-2-((2-(pyrimidin-2-yl)hydrazono)methyl)quinolin-1-ium perchlorate – methanol (1/1), C15H16N5O5Cl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","635","637","10.1515/ncrs-2019-0873","","x-ray","1.54184","CuKα","","0.0388","0.0357","","","0.0996","0.1023","","","","","","1.042","","","","has coordinates","275397","2022-05-13","07:56:51",""
"8105243","11.0273","0.0002","22.1495","0.0003","13.3766","0.0002","90","","107","0.001","90","","3124.46","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H60 Cl4 N16 O13 Zn2 -","- C57 H60 Cl4 N16 O13 Zn2 -","- C114 H120 Cl8 N32 O26 Zn4 -","2","1","","Cuihong, Zhang; Dengwu, Wang; Yuan, Ge; Liguo, Yang; Zongcheng, Miao","The crystal structure of bis(N-(amino(pyridin-2-yl)methylene)-5-chloro-2-hydroxybenzohydrazonato-κ3 N,N′,O)zinc(II) – methanol (2/5), C57H60Cl2N16O13Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","639","641","10.1515/ncrs-2019-0874","","","0.71073","MoKα","","0.0338","0.0316","","","0.0793","0.0806","","","","","","0.982","","","","has coordinates,has disorder","275398","2022-05-13","08:02:34",""
"8105244","29.1768","0.0005","6.0734","0.0001","18.0123","0.0003","90","","101.226","0.001","90","","3130.75","0.09","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 N4 O4 -","- C35 H40 N4 O4 -","- C140 H160 N16 O16 -","4","0.5","","Mu, Hao-Ran; Wang, Ji-Fa; Bian, Ruo-Nan; Dong, Wen-Kui","Synthesis and crystal structure of 4,4′-di(4-pyridyl)-6,6′-di(tert-butyl)-2,2′-[propylenedioxybis(nitrilomethylidyne)]diphenol, C35H40N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","643","644","10.1515/ncrs-2019-0876","","","1.54178","CuKα","","0.0453","0.0422","","","0.1151","0.1185","","","","","","1.054","","","","has coordinates","275399","2022-05-13","08:10:14",""
"8105245","9.632","0.002","10","0.003","22.76","0.006","90","","93.196","0.018","90","","2188.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O4 S3 -","- C22 H18 N2 O4 S3 -","- C88 H72 N8 O16 S12 -","4","1","","Zeng, Jieqiong; Zuo, Zhenyu; Huang, Weiping; Huang, Shaojun","Crystal structure of (3E,3′E)-3,3′-((1,3,4-thiadiazole-2,5-diyl)bis(sulfanediyl))bis(4-hydroxy-4-phenylbut-3-en-2-one), C22H18N2O4S3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","645","646","10.1515/ncrs-2019-0878","","","0.71073","MoKα","","0.0483","0.0354","","","0.0878","0.0933","","","","","","1.064","","","","has coordinates","275400","2022-05-13","08:27:04",""
"8105246","9.3954","0.0001","10.2747","0.0001","12.8743","0.0002","99.427","0.001","94.247","0.001","95.817","0.001","1214.51","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl3 N S2 Sn -","- C23 H22 Cl3 N S2 Sn -","- C46 H44 Cl6 N2 S4 Sn2 -","2","1","","Lo, Kong Mun; Mun, Lee See; Tiekink, Edward R.T.","Crystal structure of (N-benzyl-N-methyl-dithiocarbamato-κ2 S,S′)di(4-chlorobenzyl)chloridotin(IV), C23H22Cl3NS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","647","649","10.1515/ncrs-2019-0881","","","1.54184","CuKα","","0.0173","0.0167","","","0.0442","0.0446","","","","","","1.022","","","","has coordinates","275401","2022-05-13","08:31:05",""
"8105247","7.9362","0.0006","14.1331","0.0007","7.7734","0.0006","90","","96.701","0.006","90","","865.93","0.1","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H26 Br Na O7 -","- C12 H26 Br Na O7 -","- C24 H52 Br2 Na2 O14 -","2","1","","Klein, Wilhelm","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6 O 6) sodium bromide hydrate, [Na(18-crown-6)]Br ⋅ H2O, C12H26BrNaO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","651","653","10.1515/ncrs-2019-0883","","","0.71073","MoKα","","0.0338","0.0257","","","0.0569","0.0598","","","","","","1.083","","","","has coordinates","275402","2022-05-13","08:35:55",""
"8105248","7.9002","0.0013","9.9371","0.0016","10.6852","0.0017","101.39","0.002","93.169","0.002","104.901","0.002","789.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Crystal structure of 7-ethoxyl-6,8-difluoro-4-oxo-1-phenyl-1,4-dihydro- quinoline-3-carboxylic acid","","- C18 H13 F2 N O4 -","- C18 H13 F2 N O4 -","- C36 H26 F4 N2 O8 -","2","1","","Huang, Jian-Xiong; Huang, Cui-Xin; Huang, Guo-Ping; Xiong, Yuan-Zhen; Huang, Jian-Ping","Crystal structure of 7-ethoxyl-6,8-difluoro-4-oxo-1-phenyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H13F2N1O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","655","657","10.1515/ncrs-2019-0885","","","0.71073","MoKα","","0.0762","0.0567","","","0.1092","0.1223","","","","","","1.067","","","","has coordinates,has disorder","275403","2022-05-13","09:05:38",""
"8105249","9.1278","0.0005","9.5892","0.0007","15.5255","0.001","79.827","0.006","89.131","0.005","78.358","0.005","1309.74","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl N2 P Pd -","- C30 H26 Cl N2 P Pd -","- C60 H52 Cl2 N4 P2 Pd2 -","2","1","","Liu, Hui; Lou, Xin-Hua","Crystal structure of chlorido (2-(4-ethylphenyl)pyrimidine-k2 C,N)(triphenylphosphane-kP) palladium(II), C30H26ClN2PPd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","659","661","10.1515/ncrs-2019-0886","","","0.71073","MoKα","","0.0447","0.0342","","","0.0651","0.0706","","","","","","1.056","","","","has coordinates","275404","2022-05-13","09:08:49",""
"8105250","7.6927","0.0003","12.4813","0.0005","15.0763","0.0005","90","","92.862","0.003","90","","1445.74","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 F2 I N O3 -","- C11 H15 F2 I N O3 -","- C44 H60 F8 I4 N4 O12 -","4","1","","Dang, Limin; Yang, Huiqiong","Crystal structure of 18-crown-6 – 1,4-diiodotetrafluorobenzene – acetonitrile (1/1/2), C22H30F4I2N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","663","664","10.1515/ncrs-2019-0890","","","0.71073","MoKα","","0.0298","0.0242","","","0.0556","0.0581","","","","","","1.063","","","","has coordinates","275405","2022-05-13","09:12:26",""
"8105251","6.341","0.0013","7.343","0.0015","10.241","0.002","94.06","0.03","103.89","0.03","113.13","0.03","418.3","0.2","295","4","295.3","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H12 O3 -","- C8 H12 O3 -","- C16 H24 O6 -","2","1","","Li, Zhuang-Yu; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang","Crystal structure of diisobutyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate, C16H24O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","665","666","10.1515/ncrs-2019-0891","","","0.71073","MoKα","","0.0797","0.0546","","","0.147","0.1691","","","","","","1.0824","","","","has coordinates","275406","2022-05-13","09:15:19",""
"8105252","18.9877","0.0014","19.7813","0.0015","21.0699","0.0014","90","","103.345","0.002","90","","7700.2","1","193.15","","193.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H106 N12 O32 Zn3 -","- C60 H66 N12 O12 Zn3 -","- C240 H264 N48 O48 Zn12 -","4","1","","Li, Bing-Feng; Dong, Tong-Min; Xu, Xi-Ting; Gu, Yang; Gong, Lei; Zhou, Wan-Ying; Zhong, Kai-Long","Crystal structure of poly[[tris(μ2-cis-1,2-cyclohexanedicarboxylato)-κ2 O, O′]-bis[μ3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ3 N, N′,N′′]-trizinc(II)] – water (1/20), C60H106N12O32Zn3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","667","670","10.1515/ncrs-2019-0892","","","0.71073","MoKα","","0.1629","0.0626","","","0.1405","0.1752","","","","","","1.019","","","","has coordinates,has disorder","275407","2022-05-13","09:19:28",""
"8105253","10.927","0.003","13.542","0.003","15.744","0.004","90","","107.36","0.004","90","","2223.6","1","294.15","","294.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl) sulfinyl)-1<i>H<i>-pyrazole-3-carboxamide tetrahydrofurandisolvate","","- C16 H14 Cl2 F6 N4 O3 S -","- C16 H14 Cl2 F6 N4 O3 S -","- C64 H56 Cl8 F24 N16 O12 S4 -","4","1","","Chen, Lianqing; Yang, Gengtao; Wu, Zhongda","The synthesis and crystal structure of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carboxamide–tetrahydrofuran (1/1), C16H14N4Cl2F6O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","671","673","10.1515/ncrs-2019-0893","","","0.71073","MoKα","","0.0713","0.048","","","0.1325","0.1471","","","","","","1.064","","","","has coordinates,has disorder","275408","2022-05-13","09:22:10",""
"8105254","10.6234","0.0001","16.0898","0.0001","13.2405","0.0001","90","","92.853","0.001","90","","2260.37","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 N2 S4 Sn -","- C16 H34 N2 S4 Sn -","- C64 H136 N8 S16 Sn4 -","4","1","","Haezam, Farah Natasha; Awang, Normah; Kamaludin, Nurul Farahana; Tiekink, Edward R.T.","Crystal structure of dimethylbis(diisopropyldithiocarbamato-κ2 S,S′)tin(IV), C16H34N2S4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","675","677","10.1515/ncrs-2019-0894","","x-ray","1.54184","CuKα","","0.0206","0.0197","","","0.0508","0.0513","","","","","","1.029","","","","has coordinates","275409","2022-05-13","09:25:39",""
"8105255","6.427","0.0013","8.3458","0.0017","8.412","0.0017","107.08","0.03","106.43","0.03","107.37","0.03","376.2","0.2","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C14 H20 O6 -","2","1","","Li, Zhuang-Yu; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang","Crystal structure of diisopropyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate, C14H20O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","679","680","10.1515/ncrs-2019-0895","","","0.71073","MoKα","","0.064","0.0521","","","0.1401","0.1541","","","","","","1.1001","","","","has coordinates","275411","2022-05-13","09:28:31",""
"8105256","13.6099","0.001","12.0571","0.0009","16.2351","0.0013","90","","112.714","0.002","90","","2457.5","0.3","150.01","","150.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 F6 N3 O4 S -","- C22 H15 Cl2 F6 N3 O4 S -","- C88 H60 Cl8 F24 N12 O16 S4 -","4","1","","Chen, Lianqing; Zhang, Long; Tang, Chenglong; Wu, Zhongda","The synthesis and crystal structure of ethyl (E)-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((2-methoxybenzylidene)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carboxylate, C22H15N3Cl2F6O4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","681","684","10.1515/ncrs-2019-0898","","","0.71073","MoKα","","0.0664","0.0419","","","0.0955","0.1087","","","","","","1.033","","","","has coordinates,has disorder","287884","2023-11-30","11:50:21",""
"8105257","8.8052","0.0001","10.886","0.0001","18.6705","0.0002","90","","99.273","0.001","90","","1766.24","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O S2 -","- C17 H27 N3 O S2 -","- C68 H108 N12 O4 S8 -","4","2","","Hui-Qing, He; Fang-Yun, Dong; Han-Hui, Zhang; Jing-Min, Ye; Chun-Can, Tan; Xu-Hong, Jiang; Zi-Zhao, Zheng; Xiao-Jing, Lv; Xing-An, Cheng","The crystal structure of a matrine derivative, 13-(methylamine-1-yl) carbodithioate matrine, C17H27N3OS2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","685","687","10.1515/ncrs-2019-0899","","x-ray","1.54184","CuKα","","0.0306","0.0305","","","0.0809","0.081","","","","","","1.031","","","","has coordinates","275435","2022-05-16","07:22:56",""
"8105258","5.8633","0.0001","12.2597","0.0002","14.5517","0.0003","82.96","0.001","85.058","0.002","86.436","0.004","1032.85","0.03","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cu N2 O4 -","- C26 H20 Cu N2 O4 -","- C52 H40 Cu2 N4 O8 -","2","1","","Olagboye, Sulaiman A.; Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe J.","Crystal structure of bis(2-hydroxy-6-((phenylimino)methyl)phenolato-κ2 N,O)copper(II), C26H20CuN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","689","692","10.1515/ncrs-2019-0900","","","0.71073","MoKα","","0.0308","0.0264","","","0.0704","0.0732","","","","","","1.046","","","","has coordinates","275436","2022-05-16","07:25:59",""
"8105259","14.467","0.003","7.4629","0.0014","8.9512","0.0018","90","","104.759","0.004","90","","934.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 O3 -","- C9 H7 F N2 O3 -","- C36 H28 F4 N8 O12 -","4","1","","Zhao, Yong-Li; Ma, Lan-Lan; Liu, Xue-Di; Sui, Yi; Chai, Hui-Fang","The crystal structure of 2-p-fluorophenyl-5-dihydroxymethyl-1,3,4-oxadiazole, C9H7FN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","693","694","10.1515/ncrs-2019-0901","","","0.71073","MoKα","","0.0635","0.0421","","","0.103","0.1173","","","","","","1.032","","","","has coordinates","275437","2022-05-16","07:29:17",""
"8105260","19.08967","0.00006","15.87805","0.00005","15.13748","0.00005","90","","90","","90","","4588.27","0.03","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Cl4 N2 Sn -","- C24 H16 Cl4 N2 Sn -","- C192 H128 Cl32 N16 Sn8 -","8","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichloridobis(4-chlorophenyl-κC 1)(1,10-phenanthroline-κ2 N,N′)tin(IV), C24H16Cl4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","695","697","10.1515/ncrs-2019-0903","","","1.54184","CuKα","","0.0174","0.0173","","","0.0473","0.0474","","","","","","0.971","","","","has coordinates","275438","2022-05-16","07:32:45",""
"8105261","9.8452","0.0001","12.2087","0.0001","17.4284","0.0001","90","","102.224","0.001","90","","2047.35","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Br2 N2 O2 Sn2 -","- C46 H38 Br2 N2 O2 Sn2 -","- C92 H76 Br4 N4 O4 Sn4 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bis{bromido-triphenyltin(IV)}(μ2-[4,4′-bipyridine]1,1′-dioxide-κ2 O:O′), C46H38Br2N2O2Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","699","701","10.1515/ncrs-2019-0904","","","1.54184","CuKα","","0.0163","0.016","","","0.0424","0.0427","","","","","","0.994","","","","has coordinates","275439","2022-05-16","07:35:44",""
"8105262","15.954","0.008","8.246","0.004","14.383","0.007","90","","116.313","0.008","90","","1696.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N3 O2 -","- C20 H14 Cl N3 O2 -","- C80 H56 Cl4 N12 O8 -","4","1","","Li, Xiao-Hong; Wu, Wei-Na","Crystal structure of 2-(5-chloro-quinolin-8-yloxy)-N-quinolin-8-yl-acetamide, C20H14N3O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","703","704","10.1515/ncrs-2019-0907","","","0.71073","MoKα","","0.046","0.0331","","","0.0826","0.0909","","","","","","1.024","","","","has coordinates","275440","2022-05-16","07:40:09",""
"8105263","10.666","0.004","18.538","0.006","19.585","0.007","90","","104.036","0.007","90","","3757","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Co N9 O5 -","- C41 H41 Co N9 O5 -","- C164 H164 Co4 N36 O20 -","4","1","","Liu, Pan; Wu, Wei-Na","Crystal structure of bis(N-(1-(3-ethylpyrazin-2-yl)ethylidene)-3-hydroxy-2-naphthohydrazonato-κ3 N,N′,O)cobalt(II) — dimethylformamide (1/1), C41H41N9O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","705","707","10.1515/ncrs-2019-0908","","","0.71073","MoKα","","0.075","0.042","","","0.0916","0.1062","","","","","","1.016","","","","has coordinates,has disorder","275441","2022-05-16","07:42:51",""
"8105264","12.9537","0.0009","15.2802","0.001","17.1041","0.0011","78.748","0.001","79.684","0.001","79.27","0.001","3226.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cu N8 O4 S2 -","- C30 H34 Cu N8 O4 S2 -","- C120 H136 Cu4 N32 O16 S8 -","4","2","","Guo, Fang-Fang; Wu, Wei-Na; Wang, Yuan","Crystal structure of bis[2-(1-(3-ethylpyrazin-2-yl)ethylidene)-1-tosylhydrazin-1-ido-κ3-N,N′,O]copper(II), C30H34N8O4S2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","709","711","10.1515/ncrs-2019-0909","","","0.71073","MoKα","","0.1003","0.0488","","","0.0979","0.1178","","","","","","1.018","","","","has coordinates,has disorder","275442","2022-05-16","07:46:25",""
"8105265","9.9885","0.0008","11.5836","0.0008","11.6133","0.0009","76.342","0.006","89.821","0.006","71.435","0.007","1233.96","0.17","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl N2 P Pd -","- C29 H24 Cl N2 P Pd -","- C58 H48 Cl2 N4 P2 Pd2 -","2","1","","Liu, Hui; Lou, Xin-Hua","Crystal structure of (2-p-tolylpyrimidine-κ2 C,N)(triphenylphosphane-κ P) palladium(II), C29H24ClN2PPd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","713","715","10.1515/ncrs-2019-0913","","","1.54184","CuKα","","0.0391","0.0337","","","0.0803","0.0841","","","","","","1.056","","","","has coordinates","275443","2022-05-16","08:00:58",""
"8105266","10.793","0.0005","11.561","0.0005","12.488","0.0005","73.05","0.01","88.87","0.01","66.06","0.01","1353.62","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Caesium(I)-Bis(1,4,7,10-tetraoxacyclododecane)-triiodide","","- C16 H32 Cs I3 O8 -","- C16 H32 Cs I3 O8 -","- C32 H64 Cs2 I6 O16 -","2","1","","Bloukh, Samir Haj; Edis, Zehra","Halogen bonding in crystal structure of bis(1,4,7,10-tetraoxacyclododecane-κ4O,O′,O′′,O′′′)cesium triiodide, C16H32CsI3O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","717","719","10.1515/ncrs-2019-0915","","","0.71073","MoKα","","0.0739","0.0578","","","0.18","0.1875","","","","","","1.624","","","","has coordinates","275444","2022-05-16","08:12:50",""
"8105267","11.5523","0.0017","16.12","0.002","13.0228","0.0018","90","","114.297","0.002","90","","2210.3","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 Cl2 F6 N4 O2 S -","- C20 H10 Cl2 F6 N4 O2 S -","- C80 H40 Cl8 F24 N16 O8 S4 -","4","1","","Chen, Lianqing; Tang, Chenglong; Long, Zhang; Wu, Zhongda","The synthesis and crystal structure of N-(3-cyano-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl)-2-phenylacetamide, C20H10N4Cl2F6O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","721","723","10.1515/ncrs-2019-0919","","","0.71073","MoKα","","0.0848","0.0578","","","0.1519","0.1699","","","","","","1.029","","","","has coordinates,has disorder","275445","2022-05-16","08:16:17",""
"8105268","6.4488","0.0011","14.922","0.002","7.7868","0.0012","90","","100.941","0.005","90","","735.7","0.2","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F3 N O2 -","- C7 H4 F3 N O2 -","- C28 H16 F12 N4 O8 -","4","1","","Liu, Gui-Jie; Zhu, Meng-En; Hou, Jin-Rui; Cai, Bin","The crystal structure of 4-(trifluoromethyl)nicotinic acid, C7H4F3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","725","726","10.1515/ncrs-2019-0921","","","0.71073","MoKα","","0.0668","0.0431","","","0.1051","0.1158","","","","","","1.058","","","","has coordinates","275446","2022-05-16","08:24:49",""
"8105269","8.0795","0.0006","7.2294","0.0005","17.5898","0.0014","90","","98.354","0.008","90","","1016.52","0.13","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Lin, Qiao; Lin, Zirui; Chen, Xiuwen; Li, Bin","Crystal structure of 3-(2-methylbenzyl)thiazolidin-2-one, C11H13ONS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","727","728","10.1515/ncrs-2019-0922","","x-ray","0.71073","MoKα","","0.0382","0.0332","","","0.0792","0.0825","","","","","","1.087","","","","has coordinates","275447","2022-05-16","09:06:03",""
"8105270","8.6599","0.0008","11.6216","0.0012","10.0903","0.0009","90","","93.393","0.002","90","","1013.73","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 N O2 -","- C11 H8 F3 N O2 -","- C44 H32 F12 N4 O8 -","4","1","","Yi, Qin; Zhu, Xiong; Zhang, Ji-Run; Zhou, Zhi-Xu; Zhao, Chun-Shen","The crystal structure of 2,2,2-trifluoro-1-(isoquinolin-1-yl)ethane-1,1-diol, C11H8F3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","729","730","10.1515/ncrs-2019-0932","","","0.71073","MoKα","","0.0474","0.0352","","","0.0894","0.0984","","","","","","1.056","","","","has coordinates","275448","2022-05-16","09:08:16",""
"8105271","7.2512","0.0006","7.3916","0.0006","7.492","0.0007","65.065","0.004","68.858","0.004","64.919","0.004","321.6","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C12 H8 Br2 N2 O4 -","2","1","","Li, Shu-Jing; Li, Ke; Li, Yi-Wen","The crystal structure of 3-bromoisonicotinic acid, C6H4BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","731","732","10.1515/ncrs-2019-0933","","","0.71073","MoKα","","0.0447","0.0369","","","0.0973","0.1017","","","","","","1.091","","","","has coordinates","275449","2022-05-16","09:12:37",""
"8105272","13.1766","0.0011","5.1019","0.0004","22.602","0.002","90","","91.081","0.003","90","","1519.2","0.2","150","2","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C48 H48 N16 O40 -","8","1","","Jia, Hua-Li; Wang, Xin; Dai, Li-Yan; Wang, Li-Ke; Ren, Xiao-Yue","The crystal structure of 5-nitropicolinic acid monohydrate, C6H6N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","733","734","10.1515/ncrs-2019-0934","","","0.71073","MoKα","","0.0447","0.0334","","","0.0867","0.0961","","","","","","1.068","","","","has coordinates","275450","2022-05-16","09:24:26",""
"8105273","11.281","0.002","12.321","0.003","10.63","0.002","90","","101.07","0.03","90","","1450","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Zeng, Wu-Lan; Wang, Xia; Yi-Ming, Hong","The crystal structure of 3-(4-hydroxybenzyl)-1,5-dioxaspiro[5.5]undecane-2,4-dione, C16H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","735","737","10.1515/ncrs-2019-0935","","","0.71073","MoKα","","0.0571","0.0421","","","0.1036","0.1123","","","","","","1.061","","","","has coordinates","275476","2022-05-17","07:50:14",""
"8105274","13.0196","0.0019","18.813","0.003","19.745","0.003","117.446","0.002","99.775","0.002","98.233","0.002","4091.8","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H68 Cl4 Mo6 N6 S12 Se15 -","- C42 H68 Cl4 Mo6 N6 S12 Se15 -","- C84 H136 Cl8 Mo12 N12 S24 Se30 -","2","1","","Brakefield, Kyra; Barnes, Justin; Donahue, James P.","Crystal structure of [[Mo3Se7(S2CNEt2)3]2(μ-Se)] ⋅ 2(C6H4Cl2), C42H68Cl4Mo6N6S12Se15","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","739","743","10.1515/ncrs-2019-0938","","","0.71073","MoKα","","0.0713","0.0557","","","0.1488","0.1618","","","","","","1.044","","","","has coordinates,has disorder","275477","2022-05-17","07:53:53",""
"8105275","12.3541","0.0008","14.3818","0.001","7.3757","0.0005","90","","96.471","0.002","90","","1302.12","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C52 H48 N8 O12 S4 -","4","1","","Zou, Juan; Zhao, Chen-Liang; Zhang, Qi-Long; Pan, Lu-Tai; He, Kang","Crystal structure of (E)-4-hydroxy-3-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)pent-3-en-2-one, C13H12N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","745","746","10.1515/ncrs-2019-0940","","","0.71073","MoKα","","0.0607","0.0417","","","0.0963","0.108","","","","","","1.054","","","","has coordinates","275478","2022-05-17","07:57:52",""
"8105276","4.2387","0.0005","18.724","0.002","10.7345","0.0013","90","","97.751","0.004","90","","844.16","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 N4 Ni O2 -","- C22 H14 N4 Ni O2 -","- C44 H28 N8 Ni2 O4 -","2","1","","Shi, Xiao-Ming; Xiao, Li-Na; Peng, Peng; Zhang, Jie","The crystal structure of (2,3-dioxo-5,6:13,14-dibenzo-9,10-benzo-1,4,8,11-7, 11-diene-κ4 N,N′,N′′,N′′′)-nickel(II), Ni(C22H14N4O2)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","747","749","10.1515/ncrs-2019-0941","","","0.71073","MoKα","","0.0557","0.0435","","","0.1128","0.1255","","","","","","0.941","","","","has coordinates","275479","2022-05-17","08:00:54",""
"8105277","8.7938","0.0005","10.3071","0.0004","18.0413","0.0007","90","","79.704","0.005","90","","1608.91","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1-benzyl-2-ethyl-4-nitro-1<i>H</i>-imidazol-5-ylthio)-propanoic acid","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Al-Qawasmeh, Raed A.; Al-Soud, Yaseen A.; Alhelal, Kafa A. S.; Khanfar, Monther A.","Crystal structure of 3-(1-benzyl-2-ethyl-4-nitro-1H-imidazol-5-ylthio)-propanoic acid, C15H17N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","751","753","10.1515/ncrs-2020-0003","","x-ray","0.71073","MoKα","","0.0726","0.0535","","","0.1307","0.1447","","","","","","1.031","","","","has coordinates","275480","2022-05-17","08:14:07",""
"8105278","9.6961","0.0004","13.6096","0.0006","15.1642","0.0005","88.456","0.003","72.251","0.003","72.376","0.004","1811.65","0.14","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H100 Cl8 P2 Pd -","- C68 H100 Cl8 P2 Pd -","- C68 H100 Cl8 P2 Pd -","1","0.5","","Liu, Hui","The crystal structure of dichlorobis(2-(dicyclohexylphosphino)-2′,4′,6′-tri-i-propyl-1,1′-biphenyl) palladium(II)-dichloroform, C68H100Cl8P2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","755","757","10.1515/ncrs-2020-0012","","","1.54184","CuKα","","0.0554","0.0483","","","0.126","0.1332","","","","","","1.026","","","","has coordinates","275481","2022-05-17","08:17:47",""
"8105279","16.386","0.002","11.705","0.001","19.005","0.003","90","","108.008","0.014","90","","3466.6","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","'Caesium(I)-Bis(1,4,7,10-tetraoxacyclo' dodecane)-pentaiodide'","","- C16 H32 Cs I7 O8 -","- C16 H32 Cs I7 O8 -","- C64 H128 Cs4 I28 O32 -","4","0.5","","Bloukh, Samir Haj; Edis, Zehra","Crystal structure and antimicrobial properties of (1,4,7,10-tetraoxacyclododecane-κ4 O,O′,O′′,O′′′)cesium(I) pentaiodide, C16H32CsI5O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","759","761","10.1515/ncrs-2020-0057","","","0.71073","MoKα","","0.0491","0.0437","","","0.1062","0.1085","","","","","","1.268","","","","has coordinates","275482","2022-05-17","08:21:36",""
"8105280","12.043","0.005","21.723","0.009","9.961","0.004","90","","90","","90","","2605.9","1.9","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H22 Co N8 O4 S2 -","- C24 H22 Co N8 O4 S2 -","- C96 H88 Co4 N32 O16 S8 -","4","0.5","","Wang, Wan-Wan; Deng, Xiao-Wei; Wu, Wei-Na","Crystal structure of bis [1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O]cobalt(II), C24H22N8O4S2Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","763","764","10.1515/ncrs-2019-0611","","","0.71073","MoKα","","0.0505","0.0366","","","0.0704","0.0764","","","","","","1.024","","","","has coordinates","275483","2022-05-17","08:27:40",""
"8105281","9.4202","0.0005","9.7871","0.0005","15.0135","0.0009","106.775","0.003","92.534","0.003","117.424","0.003","1150.52","0.12","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Br N2 O4 -","- C26 H25 Br N2 O4 -","- C52 H50 Br2 N4 O8 -","2","1","","Cai, Bin; Fu, Chun-Yan; Guo, Xin-Yu; Wang, Ying","The crystal structure of 1,3-bis(4-(methoxycarbonyl)benzyl)-2-methyl-1H-benzo[d]imidazol-3-ium bromide, C26H25BrN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","765","766","10.1515/ncrs-2019-0616","","","0.71073","MoKα","","0.0464","0.0316","","","0.0625","0.0671","","","","","","1.035","","","","has coordinates","275484","2022-05-17","08:58:33",""
"8105282","9.893","0.002","11.503","0.002","13.295","0.003","78.77","0.03","70.52","0.03","83.4","0.03","1397","0.6","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl N8 Ni O7 -","- C26 H27 Cl N8 Ni O7 -","- C52 H54 Cl2 N16 Ni2 O14 -","2","1","","Li, Xin-Lun; Luo, Zhong-Ping; Zhang, Jun-Chao; Nie, Feng-Mei","Crystal structure of {tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′}-(nitrito-κ2 O,O′)nickel(II) perchlorate – ethanol (1/1), C26H27ClN8NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","767","769","10.1515/ncrs-2019-0862","","","0.71073","MoKα","","0.0449","0.0423","","","0.1013","0.1032","","","","","","1.058","","","","has coordinates","275485","2022-05-17","09:03:31",""
"8105283","7.7885","0.0004","14.9974","0.0008","17.7464","0.001","90","","102.184","0.002","90","","2026.22","0.19","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cu2 N4 O7 -","- C22 H14 Cu2 N4 O7 -","- C88 H56 Cu8 N16 O28 -","4","1","","Guo, Xiao-Yu; Chen, Ji-Hong; Meng, Xiang-Ru","Crystal structure of catena-poly[aqua[(μ2-4,5-dicarboxylato-2-(2-carboxylatophenyl)imidazol-1-ido-κ4 N,O,O′:N′)](μ2-4,4′-bipyridine-κ2 N:N′)dicopper(II)], C22H14Cu2N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","771","773","10.1515/ncrs-2019-0887","","","0.71073","MoKα","","0.0567","0.0357","","","0.0848","0.0936","","","","","","1.021","","","","has coordinates","275486","2022-05-17","09:06:33",""
"8105284","17.5342","0.0001","11.1174","0.0001","18.5675","0.0001","90","","95.405","0.001","90","","3603.36","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 As Cl O Sn -","- C42 H42 As Cl O Sn -","- C168 H168 As4 Cl4 O4 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-tris(4-methylbenzyl-κC)-(triphenylarsine oxide-κO)tin(IV), C42H42AsClOSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","775","777","10.1515/ncrs-2019-0888","","","1.54184","CuKα","","0.019","0.0184","","","0.0461","0.0465","","","","","","1.015","","","","has coordinates","275487","2022-05-17","09:16:09",""
"8105285","7.859","0.0006","9.3108","0.0008","11.0816","0.0008","66.95","0.003","71.558","0.003","77.203","0.004","703.38","0.1","149","2","149.44","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N2 O8 -","- C13 H13 N2 O8 -","- C26 H26 N4 O16 -","2","1","","Chai, Chun-Xia; Peng, Peng; Cai, Bin","The crystal structure of 4,4′-bipyridinium bis(3-carboxy-2-nitrobenzoate) tetrahydrate, C13H13N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","779","781","10.1515/ncrs-2020-0004","","","0.71073","MoKα","","0.052","0.0389","","","0.098","0.1075","","","","","","1.0544","","","","has coordinates","275488","2022-05-17","09:24:56",""
"8105286","21.9309","0.0011","9.9648","0.0005","11.0049","0.0007","90","","93.403","0.006","90","","2400.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Cl N2 O -","- C28 H31 Cl N2 O -","- C112 H124 Cl4 N8 O4 -","4","1","","Feng, Aiqing; Lv, Bin","Crystal structure of 1-(3-chlorophenyl)-4-(4-(((2,3-dihydro-1H-inden-5-yl)oxy)methyl)phenethyl)piperazine, C28H31ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","783","785","10.1515/ncrs-2020-0005","","x-ray","0.71073","MoKα","","0.0863","0.0566","","","0.1231","0.1355","","","","","","1.044","","","","has coordinates","275509","2022-05-18","08:08:55",""
"8105287","12.4217","0.0008","7.3444","0.0006","10.6063","0.0007","90","","90","","90","","967.61","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2.5 H3 Mg0.5 N5 O -","- C2.5 H3 Mg0.5 N5 O -","- C20 H24 Mg4 N40 O8 -","8","1","","Li, Ting; Xing, Zheng","Crystal structure of catena-poly[diaqua-bis(μ2-5,5′-(1H-imidazole-4,5-diyl)bis(tetrazol-2-ido)-κ4 N,N′:N′′,N′′′)magnesium], C10H8N20O2Mg","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","787","788","10.1515/ncrs-2020-0006","","","0.71","graphite","","0.0478","0.0411","","","0.1096","0.1147","","","","","","1.075","","","","has coordinates","275510","2022-05-18","08:12:07",""
"8105288","19.718","0.008","9.102","0.004","8.091","0.004","90","","90","","90","","1452.1","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian","The crystal structure of (E)-2-((2-hydroxy-4-ethoxybenzylidene)amino)-2-methylpropane-1,3-diol monohydrate, C13H21NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","789","791","10.1515/ncrs-2020-0007","","","0.71073","MoKα","","0.0605","0.0452","","","0.1135","0.1289","","","","","","1.052","","","","has coordinates","275511","2022-05-18","08:15:32",""
"8105289","14.9908","0.0005","11.6786","0.0003","15.4664","0.0005","90","","95.448","0.003","90","","2695.5","0.14","291.5","0.2","291.5","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cd0.5 Cl2 N2 O4 -","- C11 H10 Cd0.5 Cl2 N2 O4 -","- C88 H80 Cd4 Cl16 N16 O32 -","8","1","","Xiao-Tian, Sun; Zheng, Lei","Crystal structure of catena-poly[diaqua-(μ2-bipyridine-κ2 N:N′)-bis(3,5-dichloroisonicotinato-κO)cadmium(II)] dihydrate, C22H20CdCl4N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","793","795","10.1515/ncrs-2020-0011","","x-ray","0.71073","MoKα","","0.0244","0.0226","","","0.051","0.0516","","","","","","1.064","","","","has coordinates","275512","2022-05-18","08:48:02",""
"8105290","14.4696","0.0007","9.5385","0.0004","18.7042","0.0011","90","","112.619","0.002","90","","2383","0.2","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl O2 -","- C13 H15 Cl O2 -","- C104 H120 Cl8 O16 -","8","2","","Du, Chao-Jun; Wang, Zong-Dong; Wang, Xiao-Ke; Zeng, Yan","The crystal structure of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid, C13H15ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","797","799","10.1515/ncrs-2020-0013","","","0.71073","MoKα","","0.0646","0.0414","","","0.097","0.109","","","","","","1.039","","","","has coordinates","275513","2022-05-18","08:54:06",""
"8105291","6.5965","0.0012","9.5374","0.0017","10.5249","0.0019","63.809","0.013","84.677","0.015","76.397","0.014","577.46","0.19","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- H10 N3 O14 Y -","- H10 N3 O14 Y -","- H20 N6 O28 Y2 -","2","1","","Klein, Wilhelm","Redetermination of the crystal structure of yttrium(III) trinitrate(V) pentahydrate, Y(NO3)3 ⋅ 5 H2O, H10N3O14Y","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","801","802","10.1515/ncrs-2020-0018","","","0.71073","MoKα","","0.0488","0.033","","","0.0639","0.0697","","","","","","1.009","","","","has coordinates","275514","2022-05-18","09:16:10",""
"8105292","16.969","0.005","10.515","0.003","7.238","0.002","90","","110.71","0.01","90","","1208","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","Li, Ling-Chuan; Zhou, Xiao-Li; Liu, Yan-Li; Wang, Li-Ping","Crystal structure of catena-poly[di-μ2-chlorido-1,10-phenanthroline-κ2 N,N′-cadmium(II)], C12H8Cl2CdN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","803","804","10.1515/ncrs-2020-0019","","","0.71073","MoKα","","0.032","0.0245","","","0.0612","0.0806","","","","","","1.348","","","","has coordinates","275515","2022-05-18","09:20:16",""
"8105293","8.6952","0.0007","19.6715","0.0018","8.0995","0.0008","90","","110.691","0.003","90","","1296","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C52 H36 F12 N8 O12 -","4","1","","Wu, Wen-Neng; Fei, Qiang; Ge, Yong-Hui; Gan, Xiu-Hai","Crystal structure of 4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)oxy)benzoic acid, C13H9F3N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","805","806","10.1515/ncrs-2020-0020","","","0.71073","MoKα","","0.1062","0.0558","","","0.1198","0.1358","","","","","","1.085","","","","has coordinates","275516","2022-05-18","09:24:18",""
"8105294","5.321","0.0008","5.1825","0.0008","29.598","0.005","90","","93.875","0.002","90","","814.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-acetyl-4-hydroxybenzoic acid","","- C18 H16 O8 -","- C18 H16 O8 -","- C36 H32 O16 -","2","0.5","","Gu, Jia; Huang, Cui-Xin; Zheng, Yan-Ling; Nie, Xu-Liang; Chen, Jin-Zhu","Crystal structure of 3-acetyl-4-hydroxybenzoic acid, C18H16O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","807","809","10.1515/ncrs-2020-0021","","","0.71073","MoKα","","0.0382","0.034","","","0.0975","0.1011","","","","","","1.076","","","","has coordinates","275517","2022-05-18","09:26:47",""
"8105295","9.3077","0.0014","9.9624","0.0014","14.0449","0.0019","70.889","0.003","75.532","0.002","87.544","0.003","1190.5","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 N10 Ni O6 S2 -","- C44 H56 N10 Ni O6 S2 -","- C44 H56 N10 Ni O6 S2 -","1","0.5","","Li, Zhuang-Yu; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang; Liang, Tong-ling","Crystal structure of bis(N,2-bis(4-ethoxybenzylidene)hydrazine-1-carbohydrazonothioato-κ2 N,S)nickel(II) — N,N-dimethylformamide (1/2), C44H56N10S2O6Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","811","813","10.1515/ncrs-2020-0025","","","0.71073","MoKα","","0.1053","0.0528","","","0.1037","0.1279","","","","","","1.0052","","","","has coordinates","275518","2022-05-18","09:29:50",""
"8105296","5.066","0.003","12.775","0.008","12.587","0.008","90","","94.06","0.008","90","","812.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cl N3 O2 -","- C6 H8 Cl N3 O2 -","- C24 H32 Cl4 N12 O8 -","4","1","","Yan, Sheng; Xue, Mei; He, Xinyuan; Wang, Chengqian; Wang, Zixin; Wang, Jianlong","The crystal structure of 5-chloro-4,6-dimethoxypyrimidin-2-amine, C6H8ClN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","815","816","10.1515/ncrs-2020-0026","","","0.71073","MoKα","","0.1189","0.0597","","","0.1558","0.199","","","","","","0.995","","","","has coordinates","275519","2022-05-18","09:36:04",""
"8105297","7.8199","0.0008","8.6969","0.0008","13.1934","0.0013","93.955","0.001","99.951","0.001","109.946","0.001","822.79","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N5 Ni O5 -","- C17 H14 N5 Ni O5 -","- C34 H28 N10 Ni2 O10 -","2","1","","Shi, Rui; Zhu, Xia; Lin, Shi-Yong; Su, Yi; He, Yu-Yang; Zhang, Song-Yao","Crystal structure of poly[aqua-(μ4-benzene-1,2,4,5-tetracarboxylato-κ4O,O′,O′′,O′′′)bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N)dinickel(II)], NiC17H14N5O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","817","819","10.1515/ncrs-2020-0027","","","0.71073","MoKα","","0.0416","0.0316","","","0.0657","0.0688","","","","","","1.035","","","","has coordinates","275538","2022-05-19","08:18:35",""
"8105298","11.3967","0.0005","12.6953","0.0006","14.9539","0.0007","80.903","0.004","89.801","0.004","83.911","0.004","2124.14","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Ag2 N6 O8 S2 -","- C44 H44 Ag2 N6 O8 S2 -","- C88 H88 Ag4 N12 O16 S4 -","2","1","","Li, Xi-Xi; Jiang, Jin-Ke; Du, Jing-Jie; Guo, Wei; Jiang, Hui; Dong, Xian-Wu","Crystal structure of poly[aqua(5-dimethylamino)naphthalene-1-sulfonato-κ2 N:O)(μ2-4,4′-bipyridyl -κ2 N:N′)silver(I)], C44H44Ag2N6O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","821","823","10.1515/ncrs-2020-0028","","","0.71073","MoKα","","0.0657","0.0421","","","0.0997","0.113","","","","","","1.033","","","","has coordinates,has disorder","275539","2022-05-19","08:33:13",""
"8105299","20.2282","0.0019","14.5095","0.0011","12.6091","0.001","90","","96.937","0.003","90","","3673.7","0.5","107","","107","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-[3-(trifluoromethyl)cinnamoyl]-3-(pyridin-2-yl-<i>kN</i>)pyrazole- <i>kN^2^</i>-bis(2-phenylpyridinato-<i>k^2^C,N</i>)iridium(III)","","- C40 H28 F9 Ir N5 O P -","- C40 H28 F9 Ir N5 O P -","- C160 H112 F36 Ir4 N20 O4 P4 -","4","1","","Chong, Yan Yi; Mark-Lee, Wun Fui; Ahmad, Ishak; Kassim, Mohammad B.","Crystal structure of 1-[3-(trifluoromethyl)cinnamoyl]-3-(pyridin-2-yl-κN)pyrazole-κ2 N-bis(2-phenylpyridinato-k2 C,N)iridium(III) hexafluorophosphate complex, [C40H28F3IrN5O]PF6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","825","829","10.1515/ncrs-2020-0029","","","0.71073","MoKα","","0.0758","0.0498","","","0.1111","0.125","","","","","","1.02","","","","has coordinates","275540","2022-05-19","08:42:40",""
"8105300","12.2643","0.0008","7.1481","0.0004","26.2858","0.0016","90","","93.119","0.006","90","","2301","0.2","298","2","298","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H30 Ag2 N4 O11 S2 -","- C12 H30 Ag2 N4 O11 S2 -","- C48 H120 Ag8 N16 O44 S8 -","4","0.5","","Jiang, Jin-Ke; Li, Xi-Xi; Wu, Hua; Dong, Xian-Wu; Jiang, Hui","Crystal structure of catena-poly[aqua(μ6-piperazine-1,4-bisethanesulfonato-κ6 N:N′:O:O′:O′′:O′′′)(μ2-pyrazinyl-κ2 N:N′)disilver(I)sesquihydrate], C12H30Ag2N4O11S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","831","832","10.1515/ncrs-2020-0030","","","0.71073","MoKα","","0.0205","0.0186","","","0.0455","0.0462","","","","","","1.102","","","","has coordinates","275541","2022-05-19","08:46:39",""
"8105301","8.3844","0.0001","20.0465","0.0003","14.0511","0.0002","90","","94.786","0.001","90","","2353.44","0.06","150.02","","150.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","4","","Olagboye, Sulaiman A.; Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe J.","Crystal structure of (E)-1-(2-nitrophenyl)-N-(o-tolyl)methanimine, C14H12N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","833","836","10.1515/ncrs-2020-0034","","","0.71073","MoKα","","0.0429","0.0356","","","0.0954","0.1022","","","","","","1.013","","","","has coordinates","275542","2022-05-19","08:50:27",""
"8105302","8.133","0.0005","9.3474","0.0005","12.152","0.0008","87.278","0.005","71.092","0.006","66.19","0.006","795.88","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 N2 -","- C19 H22 N2 -","- C38 H44 N4 -","2","1","","Mo, Shuang-Ming; Shi, Da-Bin","Crystal structure of 4′-amino-3′,5′-diisopropyl-(1,1′-biphenyl)-4-carbonitrile, C19H22N2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","837","839","10.1515/ncrs-2020-0038","","","1.54178","CuKα","","0.0532","0.0498","","","0.136","0.1415","","","","","","1.023","","","","has coordinates","275543","2022-05-19","08:55:18",""
"8105303","6.7377","0.0001","7.35","0.0001","14.8647","0.0002","90","","96.051","0.001","90","","732.03","0.018","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C2.5 H3.5 N1.5 Ni0.5 O0.5 -","- C2.5 H3.5 N1.5 Ni0.5 O0.5 -","- C20 H28 N12 Ni4 O4 -","8","1","","Yang, Shuang-Hua","The crystal structure of poly[bis(N,N-dimethylformamide-κ1 O)-tetrakis(μ2-cyanido-κ2 C:N)dinickel(II)], C10H14N6O2Ni2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","841","843","10.1515/ncrs-2020-0043","","x-ray","1.54184","CuKα","","0.0351","0.0314","","","0.0975","0.0996","","","","","","1.21","","","","has coordinates","275544","2022-05-19","09:02:33",""
"8105304","10.6105","0.0008","17.1664","0.0009","11.9848","0.0009","90","","97.682","0.003","90","","2163.4","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","rac-<i>trans</i>-<i>N</i>,<i>N</i>'-bis(3-bromo-5-chlorosalicylidene)-1,2-\ cyclohexanediamine","","- C20 H18 Br2 Cl2 N2 O2 -","- C20 H18 Br2 Cl2 N2 O2 -","- C80 H72 Br8 Cl8 N8 O8 -","4","1","","Jiang, Fang; Xu, Yan; Ma, Xun; Li, Jiayi; Wu, Qiong","Crystal structure of rac-trans-N,N′-bis(3-bromo-5-chlorosalicylidene)-1,2-cyclohexanediamine, C20H18Br2Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","845","846","10.1515/ncrs-2020-0051","","","0.71073","MoKα","","0.0579","0.033","","","0.0644","0.0823","","","","","","1.1","","","","has coordinates","275545","2022-05-19","09:07:51",""
"8105305","9.1119","0.0006","17.8211","0.0012","13.5228","0.0008","90","","90.809","0.002","90","","2195.7","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-<i>trans</i>-<i>N</i>,<i>N</i>'-bis(3,5-bromosalicylidene)-1,2-\ cyclohexanediamine, C~20~H~18~Br~4~N~2~O~2~","","- C20 H18 Br4 N2 O2 -","- C20 H18 Br4 N2 O2 -","- C80 H72 Br16 N8 O8 -","4","1","","Jiao, Liang; Tan, Hui; Sun, Jinrong; Zhang, Longduo; Wu, Qiong","Crystal structure of rac-trans-N,N′-bis(3,5-dibromosalicylidene)-1,2-cyclohexanediamine, C20H18Br4N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","847","848","10.1515/ncrs-2020-0052","","","0.71073","MoKα","","0.0579","0.0448","","","0.0926","0.0963","","","","","","1.107","","","","has coordinates","275546","2022-05-19","09:11:34",""
"8105306","13.7804","0.0005","10.311","0.0005","16.4118","0.0006","90","","90","","90","","2331.95","0.16","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","tris(~2~-Oxo)-bis(1'10-phenanthroline)-tetraoxo-di-chromium(VI)- nike(II)","","- C24 H16 Cr2 N4 Ni O7 -","- C24 H16 Cr2 N4 Ni O7 -","- C96 H64 Cr8 N16 Ni4 O28 -","4","0.5","","Wu-Hua, Chen; Gui-Xiang, Xie; Qin, Chen; Yan-Ming, Ruan","The crystal structure of (dichromato-κ2 O,O′)bis(1,10-phenanthroline-κ2 N,N′)nickel(II), C12H16N4O7Cr2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","849","850","10.1515/ncrs-2020-0053","","","0.71073","MoKα","","0.0598","0.0438","","","0.1021","0.1111","","","","","","1.114","","","","has coordinates","275547","2022-05-19","09:14:50",""
"8105307","7.0752","0.0001","7.5085","0.0001","29.3383","0.0005","90","","90","","90","","1558.57","0.04","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Nicotin-1,1'-diium tetrachloridozincate(II) monohydrate","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridozincate(II) monohydrate","","- C10 H18 Cl4 N2 O Zn -","- C10 H18 Cl4 N2 O Zn -","- C40 H72 Cl16 N8 O4 Zn4 -","4","1","","Reiss, Guido J.; Sergeeva, Alena","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridozincate(II) monohydrate, C10H18Cl4ZnN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","851","854","10.1515/ncrs-2020-0054","","","0.71073","MoKα","","0.0352","0.033","","","0.066","0.0672","","","","","","1.04","","","","has coordinates","275548","2022-05-19","09:18:48",""
"8105308","9.5994","0.0007","11.9156","0.001","10.3508","0.0007","90","","91.025","0.006","90","","1183.76","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Cu2 N10 O2 -","- C18 H20 Br2 Cu2 N10 O2 -","- C36 H40 Br4 Cu4 N20 O4 -","2","0.5","","Li, Jiayi; Xu, Yan; Jiang, Fang; Sun, Jinrong; Wu, Qiong","Crystal structure of bis(μ2-azido-k2N,N)-bis(2-amino-1-(N-(3-bromosalicylaldiminato))ethane)-dicopper(II), C20H18Br4N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","855","856","10.1515/ncrs-2020-0056","","","0.71073","MoKα","","0.0815","0.0472","","","0.0896","0.1008","","","","","","1.015","","","","has coordinates","275549","2022-05-19","09:21:58",""
"8105309","8.2185","0.0004","10.1626","0.0005","11.9356","0.0006","100.399","0.004","90.005","0.004","93.434","0.004","978.68","0.08","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Br Cl N Ru -","- C21 H21 Br Cl N Ru -","- C42 H42 Br2 Cl2 N2 Ru2 -","2","1","","Xu, Chen; Lou, Xin-Hua","Crystal structure of (η6-1-methyl-4-isopropylbenzene)-[5-bromo-2-(2-pyridyl)phenyl-κ2 C,N]-chloro-ruthenium(II), C21H21BrClNRu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","857","859","10.1515/ncrs-2020-0058","","","0.71073","MoKα","","0.0486","0.0353","","","0.0628","0.0676","","","","","","1.031","","","","has coordinates","275550","2022-05-19","09:24:52",""
"8105310","18.555","0.01","6.785","0.004","10.139","0.005","90","","105.86","","90","","1227.9","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-((R)-methyl(oxo)((S)-1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)- <i>\V</i>^6^-sulfanylidene)cyanamide","","","- C10 H10 F3 N3 O S -","- C10 H10 F3 N3 O S -","- C40 H40 F12 N12 O4 S4 -","4","1","","Ning, Xu; Shi, Yun-Lian; Shi, Xu-Gen; Yang, Wen-Li; Peng, Da-Yong","Crystal structure of N-(methyl(oxo)(1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-λ6-sulfanylidene)cyanamide, C10H10F3N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","861","862","10.1515/ncrs-2020-0059","","","0.71073","MoKα","","0.0643","0.0571","","","0.167","0.1785","","","","","","1.063","","","","has coordinates,has disorder","275551","2022-05-19","09:27:34",""
"8105311","12.6946","0.0007","11.9262","0.0007","14.9398","0.0009","90","","115.14","","90","","2047.6","0.2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-(cyclohexane-1,2-diylbis((nitrilo)methylylidene))bis(3-bromo-5-\ chlorophenolato))-nickel(II)","","- C20 H16 Br2 Cl2 N2 Ni O2 -","- C20 H16 Br2 Cl2 N2 Ni O2 -","- C80 H64 Br8 Cl8 N8 Ni4 O8 -","4","1","","Jiang, Fang; Lei, Yan; Ting, Liu; Yang, Xiongzi; Wu, Qiong","Crystal structure of 6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromo-4-chlorophenolato-κ4 N,N′,O,O′)nickel(II), C20H16Br2Cl2NiN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","863","864","10.1515/ncrs-2020-0061","","","0.71073","MoKα","","0.0627","0.0386","","","0.0757","0.0834","","","","","","1.056","","","","has coordinates","275552","2022-05-19","09:30:20",""
"8105312","7.0427","0.0003","10.4459","0.0007","10.5778","0.0006","73.233","0.006","83.372","0.004","77.34","0.004","725.85","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena-tris(2-oxo)-1'10-phenanthroline-hydrate-molybdenum(vi)- manganese(ii) solvate hydrate","","","- C12 H12 Mn Mo N2 O6 -","- C12 H12 Mn Mo N2 O6 -","- C24 H24 Mn2 Mo2 N4 O12 -","2","1","","Wu-Hua, Chen; Ji, Zhou; Yu-Fan, Wang","Redetermination of the crystal structure of catena-poly[aqua-(1,10-phenanthroline-κ2 N,N′)-(μ2-tetraoxidomolybdato(VI)-κ2 O:O′)manganese(II) monohydrate, C12H12N2O6MoMn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","865","866","10.1515/ncrs-2020-0065","","x-ray","0.71073","MoKα","","0.0441","0.0386","","","0.0882","0.0916","","","","","","1.069","","","","has coordinates","275553","2022-05-19","09:33:19",""
"8105313","7.527","0.0004","12.3533","0.0006","17.4904","0.0008","90","","91.78","0.004","90","","1625.53","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","The crystal structure of Rhodium(II) o-Chlorobenzoate Dimer with axial Methanol Molecules, C~30~H~24~Cl~4~O~10~Rh~2~","","- C30 H24 Cl4 O10 Rh2 -","- C30 H24 Cl4 O10 Rh2 -","- C60 H48 Cl8 O20 Rh4 -","2","0.5","","Zhu, Guangyuan; Meng, Miao","The crystal structure tetrakis(μ2-o-chlorobenzoato-κ2 O:O′)-bis(methanol-κ1 O)dirhodium(II), C30H24Cl4O10Rh2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","867","868","10.1515/ncrs-2020-0067","","x-ray","1.54184","CuKα","","0.0497","0.0458","","","0.1248","0.1285","","","","","","1.0278","","","","has coordinates","275554","2022-05-19","09:36:23",""
"8105314","9.348","0.0019","12.985","0.003","14.278","0.003","113.14","0.03","92.05","0.03","102.75","0.03","1539.8","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 N10 O6 Pb S2 -","- C26 H20 N10 O6 Pb S2 -","- C52 H40 N20 O12 Pb2 S4 -","2","1","","Li, Zhuang-yu; Liu, E; Liu, Xiao-jing; Jian, Fang-fang","Crystal structure of bis(2,3-diphenyltetrazolidine-5-thione-κ1 S)-(nitrato-κ1 O)-(nitrato-κ2 O,O′)lead(II), C26H20N10O6S2Pb","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","869","871","10.1515/ncrs-2020-0068","","","0.71073","MoKα","","0.0562","0.0336","","","0.0786","0.0874","","","","","","1.0419","","","","has coordinates","275570","2022-05-20","08:28:30",""
"8105315","8.7233","0.0016","11.655","0.002","15.374","0.003","82.225","0.004","86.125","0.003","76.3","0.003","1503.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Br2 Cd N8 O2.5 -","- C28 H24 Br2 Cd N8 O2.5 -","- C56 H48 Br4 Cd2 N16 O5 -","2","1","","Guo, Yi-Peng; Liu, Xiao","Crystal structure of bis(3-bromo-N-(1-(3-methylpyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)cadmium(II) hemihydrate, C28H25N8O2.5Br2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","873","874","10.1515/ncrs-2020-0071","","","0.71073","MoKα","","0.0875","0.0459","","","0.0965","0.1102","","","","","","0.981","","","","has coordinates,has disorder","275571","2022-05-20","08:32:40",""
"8105316","8.5122","0.0005","8.5458","0.0006","8.8674","0.0006","75.042","0.003","68.601","0.002","89.809","0.003","577.26","0.07","152.41","","152.41","","","","","","","","","6","P -1","-P 1","2","","catena-poly[bis(μ2-η1:η1-trifluoroacetate-κ2 O:O')- hemi(μ2-2,5-dimethylpyrazine-κ2 N,N')-copper(II)","","- C7 H4 Cu F6 N O4 -","- C7 H4 Cu F6 N O4 -","- C14 H8 Cu2 F12 N2 O8 -","2","1","","Zhang, Lan; Ren, Yong; Wang, Qiang; Ding, Wu-Xiu; Fei, Wen-Bo","Crystal structure of catena-poly[tetrakis(μ2-trifluoroacetato-κ2 O:O′)(μ2-2,5-dimethylpyrazine-κ2 N,N′)dicopper(II)], C7H4CuF6NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","875","877","10.1515/ncrs-2020-0073","","","0.71073","MoKα","","0.0295","0.0247","","","0.0603","0.0625","","","","","","1.085","","","","has coordinates,has disorder","275572","2022-05-20","08:57:28",""
"8105317","10.5883","0.0004","9.4385","0.0003","16.5154","0.0007","90","","94.616","0.004","90","","1645.16","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H36 Mo8 N6 O29 -","- C8 H36 Mo8 N6 O29 -","- C16 H72 Mo16 N12 O58 -","2","0.5","","Wu-Hua, Chen; Dai-Bin, Yang; Zhao-Bin, Jiang","The crystal structure of catena-poly[bis[3-azoniapentane-1,5-diammonium][bis(μ4-oxo)-tetrakis(μ3-oxo)-heptakis(μ2-oxo)-tetradecaoxo-octa-molybdenum] dihydrate], (C8H36N6O29Mo8) n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","879","880","10.1515/ncrs-2020-0074","","","0.71073","MoKα","","0.0433","0.0359","","","0.0842","0.0887","","","","","","1.03","","","","has coordinates","275573","2022-05-20","09:03:36",""
"8105318","37.804","0.0012","6.086","0.0002","19.3025","0.0006","90","","98.104","0.003","90","","4396.7","0.2","291.8","0.2","291.8","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H24 Cl12 N4 Ni2 O18 -","- C28 H24 Cl12 N4 Ni2 O18 -","- C112 H96 Cl48 N16 Ni8 O72 -","4","0.5","","Du, Zhong-Xiang; Li, Jun-Xia","Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","881","883","10.1515/ncrs-2020-0075","","x-ray","0.71073","MoKα","","0.0856","0.0498","","","0.0886","0.1039","","","","","","0.997","","","","has coordinates","275574","2022-05-20","09:11:54",""
"8105319","9.1065","0.0005","14.595","0.0008","12.7195","0.0008","90","","93.557","0.002","90","","1687.28","0.17","273","","273","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 Bi Cl5 N4 O2 -","- C8 H10 Bi Cl5 N4 O2 -","- C32 H40 Bi4 Cl20 N16 O8 -","4","1","","Hao, Munan; Jin, Shifeng; Ma, Yuxin; Zhou, Junyan; Zhang, Zeyu; Zhao, Changchun","The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","885","886","10.1515/ncrs-2020-0078","","","0.71073","MoKα","","0.0295","0.0249","","","0.0591","0.0612","","","","","","1.082","","","","has coordinates","275575","2022-05-20","09:22:43",""
"8105320","15.7577","0.001","12.6174","0.0007","16.7333","0.001","90","","99.609","0.006","90","","3280.3","0.3","291","2","291.2","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cl6 N4 Ni O8 -","- C28 H26 Cl6 N4 Ni O8 -","- C112 H104 Cl24 N16 Ni4 O32 -","4","0.5","","Li, Jun-Xia; Du, Zhong-Xiang","The crystal structure of catena-poly[(μ2-4,4′-dipyridine-κ2 N,N′)-bis(3,5,6-trichloropyridine-2-oxyacetato-κO)-bis(ethanol-κO)nickel(II)], C28H26Cl6N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","887","890","10.1515/ncrs-2020-0083","","x-ray","0.71073","MoKα","","0.1129","0.0674","","","0.1312","0.1665","","","","","","1.03","","","","has coordinates","275576","2022-05-20","09:25:51",""
"8105321","8.6281","0.0007","11.3695","0.0009","14.3529","0.0011","68.166","0.007","80.707","0.007","71.169","0.007","1235.65","0.19","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl3 F2 N O3 S -","- C26 H20 Cl3 F2 N O3 S -","- C52 H40 Cl6 F4 N2 O6 S2 -","2","1","","Zhang, Li-Xia; Hou, Yun","Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3,5-bis(4-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C26H20Cl3F2NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","891","893","10.1515/ncrs-2020-0085","","","0.71073","MoKα","","0.0741","0.0564","","","0.1271","0.1376","","","","","","1.103","","","","has coordinates,has disorder","275577","2022-05-20","09:39:54",""
"8105322","7.0407","0.0005","7.1597","0.0006","8.3808","0.0007","75.844","0.004","76.306","0.004","67.504","0.004","373.61","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Br N O3 -","- C6 H6 Br N O3 -","- C12 H12 Br2 N2 O6 -","2","1","","Cai, Bin; Zhu, Meng-En; Bai, Xin; Lin, Yan-Ru; Guo, Qian-Qian; Meng, Yu-Ning","The crystal structure of 5-bromopicolinic acid monohydrate, C6H6BrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","895","896","10.1515/ncrs-2020-0087","","","0.71073","MoKα","","0.0248","0.0205","","","0.0516","0.0527","","","","","","1.127","","","","has coordinates","275578","2022-05-20","09:42:53",""
"8105323","11.2926","0.0006","11.5832","0.0004","16.9974","0.0009","109.211","0.004","90.211","0.004","95.29","0.004","2089.21","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Br F N3 S -","- C25 H17 Br F N3 S -","- C100 H68 Br4 F4 N12 S4 -","4","2","","Alotaibi, Abdullah A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","897","899","10.1515/ncrs-2020-0088","","","0.71073","MoKα","","0.1114","0.058","","","0.1462","0.1797","","","","","","1.017","","","","has coordinates","275579","2022-05-20","09:46:46",""
"8105324","12.0182","0.0012","6.9735","0.0007","16.251","0.0014","90","","93.572","0.009","90","","1359.3","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br N2 O4 Zn -","- C12 H13 Br N2 O4 Zn -","- C48 H52 Br4 N8 O16 Zn4 -","4","1","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of catena-poly[(μ2-2-((3-bromo-2-oxidobenzylidene)amino)acetato-κ4 O,N,O′:O′′)-(dimethylformamide-κ1 O)]zinc(II), C12H13N2O4BrZn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","901","902","10.1515/ncrs-2020-0090","","x-ray","0.71073","MoKα","","0.0329","0.0279","","","0.0585","0.0613","","","","","","1.076","","","","has coordinates","275755","2022-06-03","06:58:14",""
"8105325","11.9307","0.0009","14.8166","0.0017","22.923","0.002","90","","90","","90","","4052.2","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Br2 Fe N5 O3 -","- C17 H16 Br2 Fe N5 O3 -","- C136 H128 Br16 Fe8 N40 O24 -","8","1","","Xiao, Jianchang; Zhou, Cun; Huang, Meifen; Tan, Hui; Wu, Qiong","Crystal structure of aqua-azido-κ1 N-(6,6′-((propane-1,3-diylbis(azanylylidene))bis(methanylylidene))bis(3-bromophenolato)-κ4 N,N′,O,O′iron(III), C17H16Br2FeN5O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","903","904","10.1515/ncrs-2020-0091","","","1.54178","CuKα","","0.0982","0.075","","","0.2139","0.2497","","","","","","1.094","","","","has coordinates","275756","2022-06-03","07:00:55",""
"8105326","16.0059","0.0009","9.1008","0.0006","14.2686","0.0007","90","","100.352","0.002","90","","2044.6","0.2","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N6 O5 S V -","- C15 H24 N6 O5 S V -","- C60 H96 N24 O20 S4 V4 -","4","1","","Fu, Yi-Ru; Luan, Jian; Wang, Xiao-Jie","The crystal structure of tris(1-ethylimidazole-κ1 N)-(sulfato-κ2 O,O′)vanadium(IV), C15H24N6O5SV","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","905","906","10.1515/ncrs-2020-0095","","","0.71073","MoKα","","0.0697","0.04","","","0.0709","0.0852","","","","","","1.025","","","","has coordinates","275757","2022-06-03","07:06:54",""
"8105327","7.9831","0.0002","10.6486","0.0003","15.7222","0.0004","90","","90","","90","","1336.53","0.06","100","","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","2-acetylpyridine m-anisoyl hydrazone","(<i>E</i>)-3-methoxy-<i>N</i>'-(1-(pyridin-2-yl)ethylidene)benzohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","Crystal structure of (E)-3-methoxy-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide, C15H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","907","909","10.1515/ncrs-2020-0097","","","0.71073","MoKα","","0.0427","0.034","","","0.0766","0.0799","","","","","","1.046","","","","has coordinates","275758","2022-06-03","07:10:41",""
"8105328","9.7332","0.0019","14.886","0.003","18.623","0.005","90","","117.45","0.02","90","","2394.5","1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 N4 Ni -","- C22 H28 Cl2 N4 Ni -","- C88 H112 Cl8 N16 Ni4 -","4","1","","Li, Zhuang-yu; Liu, Xiao-jing; Liu, E.; Jian, Fang-fang; Liang, Tongling","Crystal structure of dichloro-bis-(1-butyl-1H-benzo[d]imidazole)-nickel(II), C22H28Cl2N4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","911","912","10.1515/ncrs-2020-0098","","","0.71073","MoKα","","0.0665","0.045","","","0.1292","0.1466","","","","","","0.9802","","","","has coordinates,has disorder","275759","2022-06-03","07:28:33",""
"8105329","11.758","0.0007","8.3745","0.0005","13.8754","0.0008","90","","92.622","0.002","90","","1364.84","0.14","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2, 3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Koh, Dongsoo","The crystal structure of 2-(2,3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one, C17H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","913","914","10.1515/ncrs-2020-0099","","","0.71073","MoKα","","0.054","0.0423","","","0.1073","0.1163","","","","","","1.05","","","","has coordinates","275760","2022-06-03","07:32:45",""
"8105330","10.9189","0.0006","12.3898","0.0007","13.9206","0.0007","99.412","0.004","110.024","0.005","105.904","0.005","1631.17","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H32 F N11 O S -","- C33 H32 F N11 O S -","- C66 H64 F2 N22 O2 S2 -","2","1","","Alotaibi, Abdullah A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S⋅C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","915","917","10.1515/ncrs-2020-0101","","","0.71073","MoKα","","0.0962","0.0536","","","0.121","0.1471","","","","","","1.057","","","","has coordinates","275761","2022-06-03","07:38:14",""
"8105331","10.201","0.009","10.897","0.009","13.499","0.012","106.74","0.009","98.981","0.009","115.198","0.009","1231.1","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H16 F2 I N2 -","- C31 H16 F2 I N2 -","- C62 H32 F4 I2 N4 -","2","1","","Zhang, Lingfan; Ding, Man-Hua","The crystal structure of 1,8-bis(pyridin-4-ylethynyl)anthracene-1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1), C62H32F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","919","921","10.1515/ncrs-2020-0102","","","0.71073","MoKα","","0.0286","0.0251","","","0.0643","0.0673","","","","","","1.064","","","","has coordinates","275762","2022-06-03","07:41:30",""
"8105332","10.2277","0.0018","7.6698","0.0013","13.142","0.002","90","","93.819","0.002","90","","1028.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C21 H25 I2 N -","- C21 H25 I2 N -","- C42 H50 I4 N2 -","2","0.5","","Zhang, Wei-Jun; Zeng, Tao","The crystal structure of 3,6-di-tert-butyl-1,8-diiodo-9-methyl-9H-carbazole, C21H25I2N","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","923","924","10.1515/ncrs-2020-0103","","","0.71073","MoKα","","0.028","0.0261","","","0.0665","0.068","","","","","","1.07","","","","has coordinates","275763","2022-06-03","07:45:14",""
"8105333","14.188","0.003","5.693","0.0011","17.444","0.004","90","","95.6","0.03","90","","1402.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N O4 -","- C15 H14 Cl N O4 -","- C60 H56 Cl4 N4 O16 -","4","1","","Zhang, Yun-Chen; Zeng, Wu-Lan","The crystal structure of 8-((4-chlorophenylamino)methylene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C15H14ClNO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","925","927","10.1515/ncrs-2020-0104","","","0.71073","MoKα","","0.0916","0.0719","","","0.2038","0.2214","","","","","","1.071","","","","has coordinates","275764","2022-06-03","08:21:57",""
"8105334","7.489","0.0005","8.8913","0.0004","13.5918","0.0007","88.027","0.004","89.819","0.005","69.729","0.005","848.44","0.09","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Co2 N4 O19 -","- C28 H36 Co2 N4 O19 -","- C28 H36 Co2 N4 O19 -","1","0.5","","Feng, Xun; Chen, Nan; Zhang, Zhengtao; Yu, Jingjing; Zhang, Yiming","The crystal structure of catena-poly[oktaaqua-bis(μ2-4,4′-ethene-1,2-diyldipyridine-κ2 N:N′)-(μ2-3,3′-(1-oxidodiazene-1,2-diyl)diphthalato-κ2 O:O′)dicobalt(II)] dihydrate, C28H36N4O19Co2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","929","931","10.1515/ncrs-2020-0105","","x-ray","0.71073","MoKα","","0.052","0.0435","","","0.0956","0.1015","","","","","","1.076","","","","has coordinates","275765","2022-06-03","08:26:40",""
"8105335","8.672","0.005","10.725","0.006","13.886","0.008","97.55","0.009","101.415","0.009","109.603","0.009","1164.9","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N3 O -","- C31 H19 N3 O -","- C62 H38 N6 O2 -","2","1","","Wang, Feng; Shen, Lun-Hua; Jiang, Jin-Ke; Chen, Nian-gen","Crystal structure of (E)-1-(2-cyano-3-oxo-1-phenylprop-1-en-1-yl)-3,7-diphenylindolizine-6-carbonitrile, C31H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","933","934","10.1515/ncrs-2020-0106","","","0.71073","MoKα","","0.0599","0.0439","","","0.1192","0.1288","","","","","","1.069","","","","has coordinates","275766","2022-06-03","08:30:43",""
"8105336","9.6132","0.001","11.5667","0.0012","16.8739","0.0018","99.732","0.002","96.342","0.002","93.446","0.002","1832","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 Cu Fe O P2 S2 -","- C39 H37 Cu Fe O P2 S2 -","- C78 H74 Cu2 Fe2 O2 P4 S4 -","2","1","","Li, Zhuang-yu; Liu, Xiao-jing; Liu, E.; Jian, Fang-fang; Liang, Tongling","Crystal structure of 1,1′-bis(diphenylphosphino)ferrocene-(1,1′-bis(diphenylphosphino)ferrocene-κ2 P,P′)-(O-isobutyl sulfurodithioito-κ2 S,S′)copper(I), C39H37CuFeOP2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","935","937","10.1515/ncrs-2020-0108","","","0.71073","MoKα","","0.0617","0.0455","","","0.1086","0.1212","","","","","","1.0521","","","","has coordinates,has disorder","275767","2022-06-03","08:35:02",""
"8105337","11.7911","0.0016","31.31","0.005","10.6883","0.0011","90","","90","","90","","3945.9","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H52 Ag2 N10 O8 S2 -","- C36 H52 Ag2 N10 O8 S2 -","- C144 H208 Ag8 N40 O32 S8 -","4","1","","Jiang, Jin-Ke; Yang, Gang; Sun, Li-Ying; Wang, Chun-Yan; Wang, Feng","Crystal structure of poly[(5-bimethylamino-1-naphthalenesulfonato-κO)-(μ3-hexamethylenetetramino-κ3 N:N′:N′′)silver(I)] dihydrate, C36H52Ag2N10O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","939","941","10.1515/ncrs-2020-0109","","","0.71073","MoKα","","0.0441","0.0353","","","0.073","0.0784","","","","","","1.074","","","","has coordinates","275768","2022-06-03","08:39:10",""
"8105338","7.014","0.001","7.4328","0.0013","8.9483","0.0016","103.303","0.007","103.719","0.006","103.634","0.006","419.73","0.12","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4,5-dicyanoimidazole sodium (I)","","- C10 H12 Cl0 N10 Na2 O4 -","- C10 H12 N10 Na2 O4 -","- C10 H12 N10 Na2 O4 -","1","0.5","","Mei, Xue; Jianlong, Wang; Sheng, Yan; Kaixin, Yang; Pengxiang, Gao; Jiale, Duan","Crystal structure of poly[μ2-diaqua-(μ2-2-amino-4,5-dicyano-κ2 N:N′-imidazol-1-ide)sodium(I)], C5H6N5O2Na","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","943","944","10.1515/ncrs-2020-0113","","","0.71073","MoKα","","0.0755","0.0622","","","0.1624","0.1795","","","","","","0.856","","","","has coordinates","275769","2022-06-03","08:47:03",""
"8105339","11.4214","0.0001","9.8842","0.0001","13.6893","0.0001","90","","106.436","0.001","90","","1482.25","0.02","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 Cl Co N4 O4 -","- C11 H24 Cl Co N4 O4 -","- C44 H96 Cl4 Co4 N16 O16 -","4","1","","Shin, Jiehye; Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of (1,3-propanediamine-κ2 N,N′)(N-(3-aminopropyl)-α-methyl aspartato-κ4 N,N′,O,O′)cobalt(III) chloride, C11H24ClCoN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","945","946","10.1515/ncrs-2020-0115","","","0.71073","MoKα","","0.0252","0.0238","","","0.0608","0.0616","","","","","","1.05","","","","has coordinates","275770","2022-06-03","08:52:22",""
"8105340","8.5616","0.0004","11.6052","0.0006","14.1451","0.0008","66.617","0.006","82.391","0.004","69.072","0.004","1204.84","0.13","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 F3 N O3 S -","- C26 H20 Cl2 F3 N O3 S -","- C52 H40 Cl4 F6 N2 O6 S2 -","2","1","","Yan, Wei-Bin; Liu, Yong-Jun; Hou, Gui-Ge; Cong, Wei; Meng, Qing-Guo","Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one-dichloromethane (1/1), C26H20Cl2F3NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","947","949","10.1515/ncrs-2020-0116","","","0.71073","MoKα","","0.0569","0.046","","","0.1109","0.1206","","","","","","1.025","","","","has coordinates","275771","2022-06-03","09:05:27",""
"8105341","5.5244","0.0003","11.0915","0.0006","16.0339","0.0012","90","","90","","90","","982.46","0.11","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-(+)-1-cyclohexylethylammoniumchloride","(<i>S</i>)-(+)-1-cyclohexylethan-1-aminiumchloride","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C32 H72 Cl4 N4 -","4","1","","Scherer, Ann-Kathrin; Frank, Walter","Crystal structure of (S)-(+)-1-cyclohexylethylaminium chloride, C8H18NCl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","951","953","10.1515/ncrs-2020-0121","","","0.71073","MoKα","","0.0296","0.0295","","","0.0784","0.0785","","","","","","1.186","","","","has coordinates","275857","2022-06-07","07:22:35",""
"8105342","12.237","0.003","11.058","0.003","23.235","0.006","90","","98.486","0.004","90","","3109.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","The crystal structure of tris(nitrato-κ^2^O,O') -bis(4,4,5,5-tetramethyl-2-(o-pyridyl) imidazoline-1-oxyl 3-oxide-κ^2^N,O) yttrium (III), C^24^H^32^N^9^O^13^Y","","- C24 H32 N9 O13 Y -","- C24 H32 N9 O13 Y -","- C96 H128 N36 O52 Y4 -","4","1","","Li, Dongjiao","The crystal structure of tris(nitrato-κ2 O,O′)-bis(4,4,5,5-tetramethyl-2-(o-pyridyl)imidazoline-1-oxyl 3-oxide-κ2 N,O)yttrium(III), C24H32N9O13Y","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","955","957","10.1515/ncrs-2020-0122","","","0.71073","MoKα","","0.0932","0.0455","","","0.0781","0.0903","","","","","","0.996","","","","has coordinates","275858","2022-06-07","07:25:21",""
"8105343","7.334","0.0001","14.4781","0.0003","8.6768","0.0002","90","","94.919","0.002","90","","917.93","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","Nicotin-1,1'-diium tetraiodidozincate(II) monohydrate","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II)","","- C10 H16 I4 N2 Zn -","- C10 H16 I4 N2 Zn -","- C20 H32 I8 N4 Zn2 -","2","1","","Reiss, Guido J.; Sergeeva, Alena","Hydrogen bonding versus packing effects in the crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II), C10H16I4ZnN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","959","962","10.1515/ncrs-2020-0123","","","0.71073","MoKα","","0.0172","0.0165","","","0.0394","0.0397","","","","","","1.066","","","","has coordinates","275859","2022-06-07","07:28:21",""
"8105344","8.151","0.0003","8.8021","0.0003","11.3953","0.0005","72.546","0.002","84.568","0.002","80.76","0.002","768.86","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C38 H32 N4 O2 S2 -","2","1","","Hanft, Anna; Lichtenberg, Crispin","Dimerization of 2-[(2-((2-aminophenyl)thio)phenyl)amino]-cyclohepta-2,4,6-trien-1-one through hydrogen bonding, C19H16N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","963","966","10.1515/ncrs-2020-0124","","","0.71073","MoKα","","0.0765","0.0491","","","0.1299","0.1494","","","","","","0.936","","","","has coordinates","275860","2022-06-07","07:31:49",""
"8105345","13.544","0.005","9.344","0.003","13.545","0.005","90","","109.86","","90","","1612.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(4-chloro-phenyl)-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3- carboxylic acid","","","- C18 H12 Cl F2 N O4 -","- C18 H12 Cl F2 N O4 -","- C72 H48 Cl4 F8 N4 O16 -","4","1","","Zou, Liu-Hong; Nie, Xu-Liang; Zhao, Lei; Huang, Guo-Ping; Huang, Jian-Ping","Crystal structure of 1-(4-chloro-phenyl)-7-ethoxyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C18H12ClF2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","967","969","10.1515/ncrs-2020-0125","","","0.71073","MoKα","","0.0549","0.0393","","","0.0953","0.1058","","","","","","1.03","","","","has coordinates,has disorder","275861","2022-06-07","07:35:55",""
"8105346","6.377","0.003","9.466","0.005","13.367","0.007","83.409","0.006","83.283","0.006","83.728","0.006","792.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","7-Ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3- carboxylic acid","","","- C18 H14 F2 N2 O4 -","- C18 H14 F2 N2 O4 -","- C36 H28 F4 N4 O8 -","2","1","","Shu-Fang, Fang; Jia, Gu; Yuan-Zhen, Xiong; Guo-Ping, Huang; Jian-Ping, Huang","Crystal structure of 7-ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H14F2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","971","973","10.1515/ncrs-2020-0128","","","0.71073","MoKα","","0.0959","0.0587","","","0.1511","0.1814","","","","","","1.024","","","","has coordinates","275862","2022-06-07","07:49:45",""
"8105347","7.0011","0.0005","12.3136","0.0009","10.4847","0.0008","90","","105.734","0.002","90","","870.01","0.11","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","","He, Kang; Wang, Yu-Xue; Ye, Jiang-Hai; Zou, Juan; Zhao, Wei; Zhang, Jing-Jie; Zhang, Jin-Yi","Crystal structure of octahydro-7aR,8′R-dimethylspiro[isobenzofuran-4(1H), 4′ (3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,3, 9′ (3aH,4′aH)-trione, C20H26O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","975","976","10.1515/ncrs-2020-0131","","","0.71073","MoKα","","0.0476","0.0384","","","0.0867","0.0925","","","","","","1.026","","","","has coordinates","275863","2022-06-07","07:53:31",""
"8105348","14.9473","0.0014","17.8744","0.0016","12.5536","0.0011","90","","122.596","0.005","90","","2825.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Mn N2 O9 -","- C27 H38 Mn N2 O9 -","- C108 H152 Mn4 N8 O36 -","4","0.5","","Yuan, Ge; Dengwu, Wang; Xiaoping, Huo; Liguo, Yang; Cuihong, Zhang","Crystal structure of bis(5-ethoxy-2-(((1-hydroxy-2-methyl-3-oxidopropan-2-yl)imino)methyl)phenolato-κ3 N,O,O’)manganese(IV) – methanol (1/1), C27H38MnN2O9","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","977","978","10.1515/ncrs-2020-0134","","","0.71073","MoKα","","0.0508","0.0423","","","0.1218","0.1295","","","","","","1.058","","","","has coordinates,has disorder","275864","2022-06-07","07:56:08",""
"8105349","9.9886","0.0003","17.8995","0.0006","14.3437","0.0005","90","","98.141","0.003","90","","2538.68","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 B2 N2 O5 -","- C34 H22 B2 N2 O5 -","- C136 H88 B8 N8 O20 -","4","1","","Ding, Siyi; Ma, Qiang; Ren, Huaping; Miao, Zongcheng","Crystal structure of 8a,8a′′-oxybis(8aH-8,9-dioxa-3a1λ4-aza-8aλ4-borabenzo[fg]tetracene), C34H22B2N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","979","980","10.1515/ncrs-2020-0136","","","0.71073","MoKα","","0.0649","0.0391","","","0.0907","0.1022","","","","","","0.998","","","","has coordinates","275865","2022-06-07","07:59:46",""
"8105350","9.8316","0.0001","10.8781","0.0002","14.9388","0.0002","102.367","0.001","93.369","0.001","103.134","0.001","1510.07","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 As Br O Sn -","- C36 H30 As Br O Sn -","- C72 H60 As2 Br2 O2 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bromido-triphenyl-(triphenylarsine oxide-κO)tin(IV), C36H30AsBrOSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","981","983","10.1515/ncrs-2020-0138","","","1.54184","CuKα","","0.0178","0.0175","","","0.0468","0.0469","","","","","","1.045","","","","has coordinates","275866","2022-06-07","08:02:44",""
"8105351","9.5129","0.0009","17.813","0.0017","15.2973","0.0012","90","","110.975","0.005","90","","2420.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 Cu2 N4 O4 -","- C26 H18 Cl2 Cu2 N4 O4 -","- C104 H72 Cl8 Cu8 N16 O16 -","4","1","","Li, Xia; Liu, Shangjun; Shen, Mingle; Yan, Weihong","Crystal structure of catena-poly[chlorido-(μ2-formato-κ2 O:O′)-(1,10-phenathroline-κ2 N,N′)copper(II)], C26H18Cl2Cu2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","985","986","10.1515/ncrs-2020-0142","","","0.71073","MoKα","","0.0309","0.0269","","","0.0905","0.0929","","","","","","1.046","","","","has coordinates","275867","2022-06-07","08:13:05",""
"8105352","14.6828","0.0015","9.8602","0.001","6.5024","0.0007","90","","101.36","0.004","90","","922.94","0.17","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Na2 O6 -","- C9 H4 Na2 O6 -","- C36 H16 Na8 O24 -","4","0.5","","Li, Ting-Ting; Qin, Yu-Cai; Chen, Bao-Kuan","The crystal structure of poly[(μ10-5-carboxyisophthalato-κ10 O)disodium], C9H4Na2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","987","988","10.1515/ncrs-2020-0143","","","0.71073","MoKα","","0.0535","0.0337","","","0.0707","0.0775","","","","","","1.042","","","","has coordinates","275868","2022-06-07","08:17:24",""
"8105353","6.805","0.001","6.8443","0.0009","12.7196","0.0014","90","","94.562","0.004","90","","590.54","0.13","150","2","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H3 F2 N O2 -","- C6 H3 F2 N O2 -","- C24 H12 F8 N4 O8 -","4","1","","Zeng, Yan; Du, Chao-Jun","The crystal structure of 3,5-difluoroisonicotinic acid, C6H3F2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","989","990","10.1515/ncrs-2020-0144","","","0.71073","MoKα","","0.0603","0.0395","","","0.0972","0.1038","","","","","","1.179","","","","has coordinates","275869","2022-06-07","08:21:40",""
"8105354","6.4977","0.0005","28.728","0.002","10.1806","0.0008","90","","101.549","0.003","90","","1861.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate","","","- C19 H30 N2 O2 S -","- C19 H30 N2 O2 S -","- C76 H120 N8 O8 S4 -","4","1","","Bari, Ahmed; Ali, Syed Saeed; Alghadeer, Abdulrahman M.; Alturki, Turki; Hosten, Eric C.","The crystal structure of ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate, C19H30N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","991","992","10.1515/ncrs-2020-0145","","","0.71073","MoKα","","0.0552","0.046","","","0.116","0.1213","","","","","","1.069","","","","has coordinates","275870","2022-06-07","08:25:02",""
"8105355","16.792","0.005","9.153","0.003","22.809","0.006","90","","90","","90","","3505.7","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C152 H168 N8 O16 S8 -","8","1","","Liu, Huixia; Huang, Xie; He, Wei","Crystal structure of 5-methyl-3-phenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C19H21NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","993","994","10.1515/ncrs-2020-0150","","","0.71073","MoKα","","0.1196","0.0622","","","0.125","0.1494","","","","","","1.023","","","","has coordinates","275871","2022-06-07","08:27:47",""
"8105356","12.5166","0.0012","12.5881","0.0014","19.0086","0.0019","90","","90","","90","","2995","0.5","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Crystal structure of bis(3-chlorosalicylidene)-ethylenediaminato)-Nickel (II), C~16~H~12~Cl~2~NiN~2~O~2~","","- C16 H12 Cl2 N2 Ni O2 -","- C16 H12 Cl2 N2 Ni O2 -","- C128 H96 Cl16 N16 Ni8 O16 -","8","1","","Xiao, Jianchang; Zhou, Cun; Tan, Hui; Huang, Meifen; Wu, Qiong","Crystal structure of bis((3-chlorosalicylidene)-ethylenediaminato-κ4N,N′,O,O′)nickel (II), C16H12Cl2NiN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","995","996","10.1515/ncrs-2020-0151","","","0.71073","MoKα","","0.0871","0.0435","","","0.0744","0.0826","","","","","","0.993","","","","has coordinates","275872","2022-06-07","08:30:51",""
"8105357","10.223","0.008","13.407","0.009","13.786","0.009","90","","109.825","0.005","90","","1778","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C72 H68 Cl4 N8 O20 -","4","1","","Chen, Juan; Liu, Zhe; Yan, Haijun","Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4-hydroxybenzohydrazide — dihydrofuran-2(3H)-one (1/1), C18H17ClN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","997","998","10.1515/ncrs-2020-0153","","","0.71073","MoKα","","0.1535","0.0912","","","0.161","0.1867","","","","","","1.07","","","","has coordinates","275873","2022-06-07","08:36:57",""
"8105358","11.7989","0.0009","11.9007","0.0007","12.7164","0.0017","90","","119.779","0.007","90","","1549.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Crystal constructure of bis(3-chlorosalicylidene)-1,2-propanediamine)-nickel(ii), C~16~H~14~Br~2~NiN~2~O~2~","","- C16 H12 Br2 N2 Ni O2 -","- C16 H12 Br2 N2 Ni O2 -","- C64 H48 Br8 N8 Ni4 O8 -","4","1","","Xiao, Jianchang; Zhou, Cun; Xindi, Xu; Lei, Hua; Wu, Qiong","Crystal structure of bis((3-bromosalicylidene)-ethylenediaminato-κ4 N,N′,O,O′) nickel (II), C16H12Br2NiN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","999","1000","10.1515/ncrs-2020-0154","","","0.71073","MoKα","","0.0443","0.0324","","","0.0649","0.0687","","","","","","1.068","","","","has coordinates","275874","2022-06-07","08:39:57",""
"8105359","8.4397","0.0003","15.6692","0.0005","12.5989","0.0004","90","","93.858","0.001","90","","1662.35","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trimethylsulfoxonium tetrachloridocobaltate","","- C6 H18 Cl4 Co O2 S2 -","- C6 H18 Cl4 Co O2 S2 -","- C24 H72 Cl16 Co4 O8 S8 -","4","1","","Zhong, Xin; Zhou, Junyan; Hao, Munan","Crystal structure of trimethylsulfoxonium tetrachloridocobaltate(II) [(CH3)3SO]2CoCl4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","1001","1002","10.1515/ncrs-2020-0159","","","0.71073","MoKα","","0.0808","0.0408","","","0.0807","0.0965","","","","","","1.028","","","","has coordinates","275875","2022-06-07","08:43:24",""
"8105360","6.6084","0.0009","10.8811","0.0016","12.0845","0.0016","85.719","0.006","79.547","0.005","89.903","0.005","852.1","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","isopimara-7,15-dien-3-one","","- C20 H30 O -","- C20 H30 O -","- C40 H60 O2 -","2","2","","Dong, Ming-Hong; Ye, Jiang-Hai; Zhao, Chen-Liang; Zhou, Lang; Zou, Juan; Zhang, Jing-Jie","Crystal structure of isopimara-7,15-dien-3-one, C20H30O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1003","1005","10.1515/ncrs-2020-0037","","","0.71076","MoKα","","0.0839","0.0744","","","0.1841","0.1953","","","","","","0.722","","","","has coordinates","275876","2022-06-07","08:47:27",""
"8105361","3.7015","0.0002","7.392","0.0004","21.3535","0.0012","90","","91.06","0.005","90","","584.16","0.06","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu N4 O4 -","- C12 H10 Cu N4 O4 -","- C24 H20 Cu2 N8 O8 -","2","0.5","","Du, Xigang; Wang, Chunwei","Crystal structure of bis(6-aminopyridine-2-carboxylato-κ2 O,N)-copper(II), C12H10O6N4Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1007","1008","10.1515/ncrs-2020-0041","","x-ray","0.71073","MoKα","","0.0355","0.0319","","","0.075","0.0769","","","","","","1.122","","","","has coordinates","275907","2022-06-08","08:27:52",""
"8105362","37.6829","0.0014","7.4695","0.0003","17.4881","0.0007","90","","95.269","0.003","90","","4901.6","0.3","123.15","","123.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 -","- C38 H24 -","- C304 H192 -","8","1","","Bin, Zhang; Xin, Chen; Songhua, Chen","Crystal structure of 5,6-diphenyldibenzo[c, g]chrysene, C38H24","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1009","1010","10.1515/ncrs-2020-0112","","x-ray","0.71073","MoKα","","0.0718","0.0472","","","0.1077","0.1177","","","","","","1.025","","","","has coordinates","275908","2022-06-08","08:31:55",""
"8105363","17.4714","0.0012","10.918","0.0007","20.0697","0.0014","90","","90","","90","","3828.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N2 O8 Zn -","- C18 H19 N2 O8 Zn -","- C144 H152 N16 O64 Zn8 -","8","1","","Li, Guoqiang; Chen, Guo; Liu, Yanping; Wang, Gao; Liu, Liyu","Poly[bis(dimethylformamide-κO)-(μ8-5,5′′-dicarboxy-[1,1′:4′,1′′-terphenyl]-2′,3,3′′,5′-tetracarboxylato-κ8 O:O 1:O 2:O 3:O 4:O 5:O 6:O 7)dizinc(II)] — dimethylformamide (1/2), C18H19N2O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1011","1013","10.1515/ncrs-2020-0117","","","0.71073","MoKα","","0.0761","0.0449","","","0.1211","0.1492","","","","","","1.083","","","","has coordinates","275909","2022-06-08","08:35:43",""
"8105364","10.5247","0.0011","19.0823","0.0019","10.5502","0.0011","90","","112.641","0.002","90","","1955.6","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Mn N4 O16 -","- C36 H40 Mn N4 O16 -","- C72 H80 Mn2 N8 O32 -","2","0.5","","Li, Guoqiang; Chen, Guo; Liu, Yanping; Wang, Gao; Liu, Liyu","The crystal structure of poly[bis(N,N-dimethylformamide-κ1 O)(μ4- 2′,5,5′,5′′-tetracarboxy-[1,1′:4′,1′′-terphenyl]-3,3′′-dicarboxylato-κ4 O:O′:O′′:O′′′)manganese(II)] — N,N-dimethylformamide (1/2), C36H40N4O16Mn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1015","1017","10.1515/ncrs-2020-0118","","","0.71073","MoKα","","0.0934","0.0619","","","0.1601","0.1741","","","","","","0.95","","","","has coordinates,has disorder","275910","2022-06-08","08:38:27",""
"8105365","7.249","0.002","8.265","0.003","12.786","0.004","82.449","0.011","75.21","0.01","83.977","0.011","732.2","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N4 O2 S -","- C16 H12 N4 O2 S -","- C32 H24 N8 O4 S2 -","2","1","","Songhua, Chen; Bin, Zhang; Xin, Chen; Yongqi, Liu","Crystal structure of N,N-dimethyl-4-((7-nitrobenzo[c][1,2,5]thiadiazol-4-yl)ethynyl)aniline, C16H12N4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1019","1020","10.1515/ncrs-2020-0126","","sealed tube","0.71073","MoKα","x-ray","0.0801","0.0669","","","0.1643","0.1726","","","","","","1.185","","","","has coordinates","275911","2022-06-08","08:41:07",""
"8105366","9.258","0.0017","11.95","0.002","13.076","0.002","90","","99.15","0.002","90","","1428.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B N O3 -","- C18 H14 B N O3 -","- C72 H56 B4 N4 O12 -","4","1","","Ding, Siyi; Ma, Qiang; Zhu, Min; Miao, Zongcheng","The crystal structure of 8a-methoxy 8a-methoxy-1,5,8a,9a-tetrahydro-4H-8,9-dioxa-3a1λ4-aza-8aλ4, C18H14BNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1021","1022","10.1515/ncrs-2020-0133","","","0.71073","MoKα","","0.0632","0.0412","","","0.0978","0.1087","","","","","","1.017","","","","has coordinates","275912","2022-06-08","09:02:01",""
"8105367","7.8425","0.0003","18.1807","0.001","17.0436","0.0007","90","","95.133","0.003","90","","2420.37","0.19","293.18","0.1","293.18","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Co N5 O8 -","- C22 H25 Co N5 O8 -","- C88 H100 Co4 N20 O32 -","4","1","","Zhao, Ying","Crystal structure of poly[diaqua-(μ2-5-isopropoxyisophthalato-κ2 O:O′)-(μ2-(1,3-bis(3,5-di(1H-imidazol-1-yl)pyridine))-κ2 N:N′)cobalt(II)] monohydrate, C22H25N5O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1023","1025","10.1515/ncrs-2020-0135","","x-ray","0.71073","MoKα","","0.0807","0.0538","","","0.0944","0.1069","","","","","","1.0417","","","","has coordinates","275913","2022-06-08","09:05:49",""
"8105368","7.4259","0.0005","6.6115","0.0005","21.9579","0.0014","90","","93.073","0.002","90","","1076.5","0.13","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","acetoximium 1'-hydroxy-1H,1H'-5,5'-bitetrazole-1-olate monohydrate","","- C5 H11 N9 O4 -","- C5 H11 N9 O4 -","- C20 H44 N36 O16 -","4","1","","Rubian, Cao; Lizhen, Chen; Jianlong, Wang; Luting, Wang","The crystal structure of acetoximium 1′-hydroxy-1H,1H′-5,5′-bitetrazole-1-olate monohydrate, C5H11N9O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1027","1028","10.1515/ncrs-2020-0140","","x-ray","0.71073","MoKα","","0.1102","0.0545","","","0.0994","0.1234","","","","","","1.063","","","","has coordinates","275914","2022-06-08","09:08:28",""
"8105369","6.5994","0.0013","10.754","0.002","19.754","0.004","90","","96.267","0.002","90","","1393.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate","","","- C9 H13 F6 N2 O2 P -","- C9 H13 F6 N2 O2 P -","- C36 H52 F24 N8 O8 P4 -","4","1","","Xiong, Wan-Ming; Huang, Ting; Liao, Sheng; Chen, Jing; Nie, Xu-Liang","Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate(V), C9H13F6N2O2P","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1029","1031","10.1515/ncrs-2020-0147","","","0.71073","MoKα","","0.0834","0.0674","","","0.1943","0.2124","","","","","","1.05","","","","has coordinates","275915","2022-06-08","09:11:30",""
"8105370","8.8463","0.0003","9.0275","0.0003","15.6752","0.0005","78.033","0.003","88.988","0.003","84.843","0.003","1219.66","0.07","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd N4 O6 -","- C28 H22 Cd N4 O6 -","- C56 H44 Cd2 N8 O12 -","2","1","","Li, Kai-Hui; Liu, Chong","The crystal structure of catena-poly[(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ2 N,O)-(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ3 N,O:O′)cadmium(II)]dihydrate, C28H22CdN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1033","1035","10.1515/ncrs-2020-0149","","x-ray","0.71073","MoKα","","0.0391","0.0333","","","0.0702","0.0732","","","","","","1.045","","","","has coordinates","275916","2022-06-08","09:15:12",""
"8105371","7.4945","0.0007","7.2336","0.0006","11.5401","0.001","90","","92.555","0.002","90","","624.99","0.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2R,4S)-hydroxyketamine","(2R,4S)-2-(2-chlorophenyl)-4-hydroxy-2-methylamino)-cyclohexanone","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C26 H32 Cl2 N2 O4 -","2","1","","Reiss, Guido J.; Urlacher, Vlada B.; Luelf, U. Joost","Enzyme-mediated synthesis and crystal structure of (2R,4S)-hydroxyketamine, C13H16ClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1037","1039","10.1515/ncrs-2020-0157","","","0.71073","MoKα","","0.0445","0.0415","","","0.0929","0.0947","","","","","","1.034","","","","has coordinates","275917","2022-06-08","09:18:40",""
"8105372","7.8738","0.0007","12.012","0.002","12.182","0.002","85.635","0.016","81.077","0.014","74.54","0.014","1096.3","0.3","96.5","","96.5","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Mn N10 O2 S2 -","- C16 H18 Mn N10 O2 S2 -","- C32 H36 Mn2 N20 O4 S4 -","2","1","","Chu, Jin-Feng","The crystal structure of bis(isothiocyanato-κ1 N)-(methanol-κ1 O)-[2-morpholine-4-yl-4,6-di(pyrazol-1-yl)-1,3,5-triazine-κ3 N,N′,N′′] manganese(II), C16H18MnN10O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1041","1043","10.1515/ncrs-2020-0161","","","0.7107","MoKα","","0.0429","0.0353","","","0.0841","0.0896","","","","","","1.037","","","","has coordinates","275918","2022-06-08","09:23:04",""
"8105373","9.85","0.003","9.642","0.003","14.249","0.004","90","","91.21","0.003","90","","1353","0.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl2 Cu F6 N2 O2 -","- C28 H16 Cl2 Cu F6 N2 O2 -","- C56 H32 Cl4 Cu2 F12 N4 O4 -","2","0.5","","Xiao, Yan; Cao, Chenzhong","Crystal structure of bis{5-chloro-2-(((4-trifluoromethyl)imino)methyl)phenolato-κ2 N,O}copper(II), C28H16Cl2CuF6N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1045","1046","10.1515/ncrs-2020-0162","","","0.71073","MoKα","","0.0482","0.0377","","","0.0999","0.1066","","","","","","1.049","","","","has coordinates","275919","2022-06-08","09:26:01",""
"8105374","34.18","0.005","7.6817","0.0003","21.421","0.003","90","","137.93","0.03","90","","3769","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 I5 N2 O -","- C8 H16 I5 N2 O -","- C64 H128 I40 N16 O8 -","8","1","","Reiss, Guido J.","Crystal structure of bis(1,3-phenylenedimethanaminium) bis(triiodide) tetraiodide – water (1/2) , C8H16I5N2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1047","1050","10.1515/ncrs-2020-0164","","","0.71073","MoKα","","0.0558","0.0364","","","0.0681","0.0737","","","","","","1.3","","","","has coordinates","275920","2022-06-08","09:28:39",""
"8105375","19.1142","0.0007","11.6722","0.0005","9.239","0.0003","90","","90","","90","","2061.26","0.13","100.02","0.1","100.02","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 F3 N O3 S -","- C25 H18 F3 N O3 S -","- C100 H72 F12 N4 O12 S4 -","4","1","","Zhang, Jia-Jing; Chen, Dian-Xing; Lv, Liang-Yan; Qi, Cong-Hui; Xu, Wei-Cheng; Hou, Gui-Ge","Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C25H18F3NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1051","1053","10.1515/ncrs-2020-0165","","","0.71073","MoKα","","0.0502","0.0422","","","0.0912","0.0974","","","","","","1.038","","","","has coordinates","275954","2022-06-10","08:27:00",""
"8105376","16.911","0.003","9.516","0.002","16.79","0.003","90","","100.83","0.004","90","","2653.8","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","CHOPPt","","- C30 H32 O6 P2 Pt -","- C30 H32 O6 P2 Pt -","- C120 H128 O24 P8 Pt4 -","4","0.5","","Moyo, Pamela; Matsinha, Leah; Banothile, C.E. Makhubela","The crystal structure of bis{3-(diphenylphosphaneyl)propanoato-κ2 O,P}platinum(II) dihydrate, C30H28O6P2Pt","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1055","1057","10.1515/ncrs-2020-0167","","x-ray","0.71073","MoKα","","0.0128","0.0127","","","0.0315","0.0315","","","","","","1.0433","","","","has coordinates","275955","2022-06-10","08:31:16",""
"8105377","6.9734","0.0005","9.0402","0.0007","16.0963","0.0012","98.977","0.006","92.867","0.006","97.501","0.006","991.15","0.13","293.2","0.4","293.2","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F O4 -","- C24 H21 F O4 -","- C48 H42 F2 O8 -","2","1","","Zhang, Min; Lin, Jin-Yuan; Liu, Jing; Ruan, Ban-Feng","The crystal structure of (E)-2-(4-((4-fluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H21FO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1059","1061","10.1515/ncrs-2020-0168","","","0.7107","MoKα","","0.0808","0.054","","","0.1174","0.1406","","","","","","1.06","","","","has coordinates","275956","2022-06-10","08:34:24",""
"8105378","11.675","0.009","9.884","0.008","23.225","0.017","90","","90","","90","","2680","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 N8 Ni O4 -","- C28 H26 N8 Ni O4 -","- C112 H104 N32 Ni4 O16 -","4","0.5","","Li, Li","Crystal structure of bis[3-methoxy-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′]nickel(II), C28H26N8O4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1063","1064","10.1515/ncrs-2020-0170","","","0.71073","MoKα","","0.0853","0.0495","","","0.1141","0.1329","","","","","","1.021","","","","has coordinates","275957","2022-06-10","08:43:19",""
"8105379","18.4206","0.0015","8.8283","0.0007","17.0215","0.0014","90","","110.253","0.004","90","","2596.9","0.4","298","2","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C112 H96 N32 O16 -","8","1","","Yu, Xiang; Huang, Ling; Zhou, Xing-Ji; Chen, Ya-Fang","Crystal structure of 1-(2-(pyridin-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl)ethan-1-one, C14H12N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1065","1066","10.1515/ncrs-2020-0173","","","0.71073","MoKα","","0.112","0.0715","","","0.1736","0.2072","","","","","","1.026","","","","has coordinates","275958","2022-06-10","08:47:28",""
"8105380","7.6557","0.0007","11.0905","0.0008","11.3544","0.0009","61.643","0.001","73.6","0.002","75.397","0.002","805.86","0.11","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","1","","Yu, Xiang; Peng, Lu; Wang, Xin; Chen, Ya-Fang","Synthesis and crystal structure of 3-N-acetyl-5-(pyridin-3-yl)-2-(quinolin-2-yl)-1,3,4-oxadiazoline, C18H14N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1067","1068","10.1515/ncrs-2020-0174","","","0.71073","MoKα","","0.0976","0.0609","","","0.1478","0.1633","","","","","","0.939","","","","has coordinates","275959","2022-06-10","08:50:56",""
"8105381","9.0431","0.0018","9.977","0.0019","11.623","0.002","102.375","0.003","109.641","0.003","99.834","0.002","930.5","0.3","128.15","","128.15","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","2","","Shi, Xiao-Ming; Xiao, Li-Na; Peng, Peng","Crystal structure of 2-methyl-1H-perimidine, C12H10N2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1069","1071","10.1515/ncrs-2020-0175","","","0.71073","MoKα","","0.0437","0.0395","","","0.1076","0.1105","","","","","","1.059","","","","has coordinates","275960","2022-06-10","08:53:51",""
"8105382","7.5952","0.0011","9.4729","0.0013","16.26","0.002","76.559","0.002","87.394","0.002","73.886","0.002","1092.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12.5 H9.5 N2.5 O2 -","- C12.5 H9.5 N2.5 O2 -","- C50 H38 N10 O8 -","4","2","","Huang, Haiqing; Xu, Li","Crystal structure of (E)-2-(5,5-dimethyl-3-(4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)oxy)styryl)cyclohex-2-en-1-ylidene)malononitrile, C25H19N5O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1073","1075","10.1515/ncrs-2020-0176","","","0.71073","MoKα","","0.0687","0.0433","","","0.1104","0.1293","","","","","","0.977","","","","has coordinates","275961","2022-06-10","08:57:08",""
"8105383","7.9654","0.0003","23.691","0.0008","21.2314","0.0008","90","","96.777","0.002","90","","3978.5","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Knipholone","1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthraquinone","","- C24 H18 O8 -","- C24 H18 O8 -","- C192 H144 O64 -","8","4","","Hlangothi, Buyiswa G.; Mahanjana, Lungelwa; Hosten, Eric C.; van Heerden, Fanie R.; van de Venter, Maryna","Structural elucidation of 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione isolated from Bulbine latifolia (L.) Wild, C24H18O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1077","1081","10.1515/ncrs-2020-0177","","","0.71073","MoKα","","0.0647","0.0499","","","0.1238","0.132","","","","","","1.037","","","","has coordinates","275962","2022-06-10","09:00:37",""
"8105384","13.76","0.005","4.9003","0.0018","19.125","0.007","90","","101.331","0.005","90","","1264.4","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-cinnamoyl-4-hydroxybenzoic acid","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","","Guo, Chun-Mei; Song, Xiu-Ying; Wang, Mi-Na; Gu, Jia; Nie, Xu-Liang","Crystal structure of 3-cinnamoyl-4-hydroxybenzoic acid, C16H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1083","1085","10.1515/ncrs-2020-0178","","","0.71073","MoKα","","0.0565","0.0383","","","0.0961","0.1072","","","","","","1.021","","","","has coordinates","275978","2022-06-13","07:14:25",""
"8105385","9.9709","0.0002","7.1597","0.0002","15.4572","0.0004","90","","108.401","0.001","90","","1047.05","0.05","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-[bis(<i>μ</i>~4~-2, 3-pyridinedicarboxylato)-(<i>μ</i>~2~– oxalyl dihydrazide)-di-cadmium(II) dihydrate]","","- C8 H8 Cd N3 O6 -","- C8 H8 Cd N3 O6 -","- C32 H32 Cd4 N12 O24 -","4","1","","Ran, Jingwen; Pei, Jun; Du, Zhiwei","The crystal structure of poly[bis(μ 4-2,3-pyridinedicarboxylato)-(μ 2-oxalyl dihydrazide)-dicadmium(II) dihydrate], C16H16O12N6Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1087","1089","10.1515/ncrs-2020-0180","","","0.71073","MoKα","","0.0191","0.0168","","","0.0391","0.0401","","","","","","1.068","","","","has coordinates","275979","2022-06-13","07:20:21",""
"8105386","11.7848","0.0003","10.0857","0.0003","12.2695","0.0004","90","","111.202","0.001","90","","1359.62","0.07","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Synthesis and crystal structure of 1-{4-[(3-bromo-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1091","1092","10.1515/ncrs-2020-0181","","","0.71073","MoKα","","0.0448","0.0306","","","0.0656","0.0745","","","","","","1.038","","","","has coordinates","275980","2022-06-13","07:24:11",""
"8105387","8.097","0.0003","12.7315","0.0004","12.8542","0.0004","90","","93.785","0.001","90","","1322.21","0.08","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Ma, Bo-Yang; Fu, Tao; Jin, Yi; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Synthesis and crystal structure of 1-{4-[(2-bromo-6-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1093","1094","10.1515/ncrs-2020-0182","","","0.71073","MoKα","","0.0259","0.021","","","0.0551","0.057","","","","","","1.067","","","","has coordinates","275981","2022-06-13","07:29:07",""
"8105388","14.4994","0.0016","19.799","0.002","20.04","0.002","90","","90","","90","","5753","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H44 Cl N5 Ni O7 -","- C23 H44 Cl N5 Ni O7 -","- C184 H352 Cl8 N40 Ni8 O56 -","8","2","","Ou, Guang-Chuan; Zhou, Qiang; Wang, Qiong","Crystal structure of (4-aminobenzoato-κ2 O,O′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′]nickel(II) perchlorate monohydrate, C23H44ClN5NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1095","1097","10.1515/ncrs-2020-0184","","","0.71073","MoKα","","0.0594","0.0409","","","0.0963","0.1061","","","","","","1.055","","","","has coordinates","275982","2022-06-13","07:32:17",""
"8105389","17.9898","0.0008","4.6412","0.0002","30.3832","0.0015","90","","93.072","0.003","90","","2533.2","0.2","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F N O2 -","- C15 H12 F N O2 -","- C120 H96 F8 N8 O16 -","8","1","","Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Crystal structure of 1-{4-[(4-fluoro-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1099","1100","10.1515/ncrs-2020-0186","","","0.71073","MoKα","","0.0998","0.0568","","","0.1169","0.1399","","","","","","1.036","","","","has coordinates,has disorder","275984","2022-06-13","07:35:59",""
"8105390","17.198","0.002","12.9497","0.0011","20.496","0.002","90","","90","","90","","4564.6","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H57 B Br6 N6 O4 V2 -","- C34 H57 B Br6 N6 O4 V2 -","- C136 H228 B4 Br24 N24 O16 V8 -","4","1","","Bonitatibus, Peter J.; Armstrong, William H.; Reiss, Guido J.","Preparation and crystal structure of a non-symmetrical vanadium(II) dimer: tri-μ2-bromido-(hydrogen-tris(3-isopropyl-4-bromopyrazol-1-yl)borato-κ3 N,N′,N′′)-tris(tetrahydrofuran-κO)divanadium(II) – tetrahydrofuran (1/1), C34H57BBr6N6O4V2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1101","1103","10.1515/ncrs-2020-0187","","","0.71073","MoKα","","0.0498","0.0441","","","0.1049","0.1093","","","","","","1.096","","","","has coordinates","275985","2022-06-13","07:41:56",""
"8105391","16.052","0.0005","19.189","0.0005","16.7292","0.0004","90","","93.064","0.001","90","","5145.6","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N4 O4 -","- C30 H26 Co N4 O4 -","- C240 H208 Co8 N32 O32 -","8","1","","Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Crystal structure of bis{2-(((4-(1-(hydroxyl-imino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}cobalt(II), C30H26CoN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1105","1107","10.1515/ncrs-2020-0189","","","0.71073","MoKα","","0.055","0.04","","","0.0854","0.0932","","","","","","1.05","","","","has coordinates","275986","2022-06-13","07:47:58",""
"8105392","8.343","0.004","7.367","0.003","31.532","0.014","90","","97.398","0.008","90","","1921.9","1.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N4 O6 S -","- C19 H18 N4 O6 S -","- C76 H72 N16 O24 S4 -","4","1","","Chen, Xiao-Miao; Liu, Zheng-Jun; Cheng, Jing-Song; Zhao, Rong-Fei; Qin, Lan","Crystal structure of 3-((3-nitrophenyl)sulfonamido)propanoic acid — 4,4′-bipyridine (1/1), C19H18N4O6S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1109","1111","10.1515/ncrs-2020-0190","","","0.71073","MoKα","","0.0584","0.042","","","0.1084","0.1158","","","","","","1.053","","","","has coordinates","275987","2022-06-13","07:51:04",""
"8105393","8.5834","0.0004","10.7034","0.0005","17.6105","0.0008","99.328","0.004","100.58","0.004","95.281","0.004","1556.95","0.13","292.3","0.1","292.3","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H52 Cd2 N4 O18 -","- C76 H52 Cd2 N4 O18 -","- C76 H52 Cd2 N4 O18 -","1","0.5","","Li, Peng-Jiang; Chen, Shi-Jun; Yu, Zhi-Bin; Li, Shi-Hui","Crystal structure of cyclo[diaqua-bis(μ2-3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κ4 O,O′:O′′,O′′′)-bis(4,4′-bis(pyrid-4-yl)biphenyl-K1 N)dicadmium(II)], C76H52Cd2N4O18","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1113","1114","10.1515/ncrs-2020-0192","","","","","","0.0623","0.0477","","","","","","","","","","0.847","","","","has coordinates","275988","2022-06-13","07:54:02",""
"8105394","10.789","0.003","6.959","0.003","15.196","0.004","90","","96.843","0.013","90","","1132.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","0.5","","Al-Mutairi, Aamal A.; Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Tiekink, Edward R.T.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-aminothiourea, C11H19N3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1115","1117","10.1515/ncrs-2020-0195","","","0.71073","MoKα","","0.0931","0.0568","","","0.1253","0.1414","","","","","","1.039","","","","has coordinates","275989","2022-06-13","07:57:13",""
"8105395","7.6085","0.0005","23.5084","0.0014","15.8052","0.0009","90","","94.207","0.006","90","","2819.4","0.3","290.11","0.1","290.11","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 Ni O11 -","- C32 H26 N2 Ni O11 -","- C128 H104 N8 Ni4 O44 -","4","1","","Chen, Shi-Jun; Li, Shi-Hui; Zhao, Yan","Crystal structure of catena-poly[triaqua-(μ2-1,4-di(pyridin-4-yl)benzene-κ2 N:N′)-(3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κO)nickel(II)], C32H26N2O11Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1119","1121","10.1515/ncrs-2020-0196","","x-ray","0.71073","MoKα","","0.0803","0.0571","","","0.1162","0.1285","","","","","","1.065","","","","has coordinates","275990","2022-06-13","08:00:51",""
"8105396","16.7294","0.0005","6.4985","0.0002","7.1414","0.0002","90","","100.449","0.003","90","","763.51","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H13 N O5 Zn -","- C19 H13 N O5 Zn -","- C38 H26 N2 O10 Zn2 -","2","0.5","","Fang, Hui-Long; Zhu, Li-Zhi; Li, Biao; Wang, Jun-Jie","Crystal structure of catena-poly[aqua-(μ4-4,4′-(pyridine-3,5-diyl)dibenzoato-κ4 O,O′:O′′:O′′′)zinc(II)], C19H13NO5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1123","1124","10.1515/ncrs-2020-0197","","","0.71073","MoKα","","0.0387","0.0297","","","0.0688","0.0732","","","","","","1.056","","","","has coordinates","275991","2022-06-13","08:09:16",""
"8105397","11.3207","0.0006","11.9296","0.0006","13.6079","0.0008","115.195","0.005","103.259","0.005","97.356","0.004","1564.57","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N2 O10 -","- C38 H28 N2 O10 -","- C76 H56 N4 O20 -","2","1","","Hu, Xu-Ze; Zhao, Yan","Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium 2-carboxy-4-(3,5-dicarboxyphenoxy)benzoate hydrate, C38H28N2O10","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1125","1127","10.1515/ncrs-2020-0198","","","0.71073","MoKα","","0.0788","0.0537","","","0.1173","0.1286","","","","","","1.023","","","","has coordinates","275992","2022-06-13","08:49:02",""
"8105398","7.5098","0.0004","7.8881","0.0004","20.8904","0.0014","97.002","0.005","98.703","0.005","95.739","0.005","1205.25","0.12","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O3 Si -","- C27 H28 N2 O3 Si -","- C54 H56 N4 O6 Si2 -","2","1","","Zhu, Lei; Luo, Na; Chen, Jinyang; Zhang, Mingzhong; Zhao, Jingzhe; Miao, Shaobin","Crystal structure of 3-[(triisopropylsilanyl)-ethynyl]-6a,12a-dihydro-1H-1,4-diaza-benzo[α]anthracene-2,7,12-trione, C27H28N2O3Si","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1129","1131","10.1515/ncrs-2020-0200","","","0.71073","MoKα","","0.0946","0.0586","","","0.1334","0.161","","","","","","1.031","","","","has coordinates","275993","2022-06-13","08:54:46",""
"8105399","11.5851","0.0008","11.5875","0.0007","13.3921","0.0008","81.44","0.005","77.913","0.006","76.014","0.006","1696.65","0.19","289.07","0.1","289.07","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N4 Ni O9 -","- C40 H24 N4 Ni O9 -","- C80 H48 N8 Ni2 O18 -","2","1","","Yao, Li-Ping","Crystal structure of [(bis(1,10-phenanthroline-κ2 N,N′)-(2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O:O′))nickel(II) monohydrate, (1,10-phenanthroline-κ2 N:N′)-(μ2-(5-(3′,4′-dicarboxylphenoxy)-isophthalate-κ2O:O′))nickel(II)], C40H24N4O9Ni ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1133","1134","10.1515/ncrs-2020-0201","","x-ray","0.71073","MoKα","","0.0676","0.0516","","","0.1103","0.1203","","","","","","1.026","","","","has coordinates","275994","2022-06-13","09:00:35",""
"8105400","9.6481","0.0006","10.0123","0.0006","10.1667","0.0006","116.68","0.002","113.268","0.002","95.809","0.002","758.31","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N3 O5 -","- C16 H16 N3 O5 -","- C32 H32 N6 O10 -","2","1","","Wu, Chong; Wu, Shou-Ting; Zhang, Qi-Long; Zou, Juan","Crystal structure of 4-(3-(pyridin-3-yl)ureido)benzoic acid — adipic acid (2/1), C16H16N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1135","1136","10.1515/ncrs-2020-0203","","","0.71073","MoKα","","0.0547","0.0426","","","0.1101","0.1212","","","","","","1.052","","","","has coordinates","275995","2022-06-13","09:03:29",""
"8105401","9.8766","0.0006","11.5473","0.0008","14.2194","0.0009","84.534","0.005","85.582","0.005","79.413","0.005","1583.9","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Co N2 O8 -","- C40 H30 Co N2 O8 -","- C80 H60 Co2 N4 O16 -","2","1","","Hu, Shao-Qiang; Li, Shi-Hui","Crystal structure of poly[bis{μ2-5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2 O:O′}-{μ2-4,4′-bipyridine-κ2N:N′}]cobalt(II), C40H30N2O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1137","1139","10.1515/ncrs-2020-0205","","x-ray","0.71073","MoKα","","0.1202","0.065","","","0.0927","0.1109","","","","","","1.067","","","","has coordinates","275996","2022-06-13","09:06:41",""
"8105402","16.4177","0.0005","17.9018","0.0005","7.458","0.0002","90","","90.49","0.003","90","","2191.87","0.11","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N4 O9 S -","- C18 H20 Cu N4 O9 S -","- C72 H80 Cu4 N16 O36 S4 -","4","1","","Chen, Xiao-Miao; Liu, Zheng-Jun; Zhao, Rong-Fei; Cheng, Jing-Song; Qin, Lan; Long, Zhang-Di","Crystal structure of aqua-(2,2′-bipyridine-κ2 N,N′)(((3-nitrophenyl)sulfonyl)glycine-κ2 N,O)copper(II) dihydrate, C18H20CuN4O9S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1141","1143","10.1515/ncrs-2020-0206","","","0.71073","MoKα","","0.077","0.0451","","","0.0806","0.0956","","","","","","1.039","","","","has coordinates","275997","2022-06-13","09:09:51",""
"8105403","8.6466","0.0002","13.4901","0.0004","14.5322","0.0004","115.997","0.001","90.645","0.001","100.083","0.001","1492.61","0.07","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Br2 Cu N4 O4 -","- C32 H28 Br2 Cu N4 O4 -","- C64 H56 Br4 Cu2 N8 O8 -","2","1","","Song, Xiao-San","Crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}copper(II), C32H28Br2CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1145","1147","10.1515/ncrs-2020-0208","","","0.71073","MoKα","","0.0359","0.0282","","","0.0621","0.066","","","","","","1.04","","","","has coordinates,has disorder","275998","2022-06-13","09:19:25",""
"8105404","26.573","0.004","12.898","0.002","11.4503","0.0017","90","","110.837","0.012","90","","3667.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Cl4 N4 O4 Zn -","- C40 H28 Cl4 N4 O4 Zn -","- C160 H112 Cl16 N16 O16 Zn4 -","4","0.5","","Li, Shi-Hui; Zhao, Yan","Crystal structure of bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)zinc(II), C40H28Cl4N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1149","1150","10.1515/ncrs-2020-0212","","x-ray","0.71073","MoKα","","0.1229","0.0631","","","0.0883","0.11","","","","","","1.061","","","","has coordinates","275999","2022-06-13","09:22:19",""
"8105405","9.6719","0.0019","13.529","0.003","11.094","0.002","90","","112.31","0.03","90","","1343","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Hoang, Minh-Tu; Guo, Ke-Liang; Ye, Fei","Crystal structure of 2-(3,6-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-oxoethyl acetate, C14H17NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1151","1153","10.1515/ncrs-2020-0215","","","0.71073","MoKα","","0.0613","0.048","","","0.1327","0.1422","","","","","","1.039","","","","has coordinates","276000","2022-06-13","09:38:34",""
"8105406","9.6915","0.0004","7.6614","0.0002","19.0851","0.0008","90","","100.529","0.004","90","","1393.22","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Br2 Cd N8 -","- C24 H36 Br2 Cd N8 -","- C48 H72 Br4 Cd2 N16 -","2","0.5","","Guo, Jin-Bo; Li, Guan-Feng","Crystal structure of poly[dibromido-bis(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2 N:N′)cadmium(II)], C24H36Br2N8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1155","1156","10.1515/ncrs-2020-0217","","x-ray","0.71073","MoKα","","0.0801","0.0744","","","0.1789","0.1823","","","","","","1.191","","","","has coordinates","276001","2022-06-13","09:43:27",""
"8105407","10.1773","0.0012","12.9096","0.0015","15.195","0.0018","97.579","0.001","97.967","0.001","109.835","0.001","1825.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N8 O3 S2 -","- C38 H38 N8 O3 S2 -","- C76 H76 N16 O6 S4 -","2","1","","Ding, Qichun; Yang, Ruya; Yao, Peipao","Synthesis and crystal structure of ((6R,7S)-3-ethyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanone hemihydrate, 2(C19H18N4OS) ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1157","1159","10.1515/ncrs-2020-0219","","","0.71073","MoKα","","0.0758","0.0523","","","0.126","0.1412","","","","","","1.023","","","","has coordinates,has disorder","276018","2022-06-14","08:55:39",""
"8105408","5.8617","0.0014","15.845","0.004","15.326","0.004","90","","92.65","0.005","90","","1421.9","0.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N6 -","- C17 H12 N6 -","- C68 H48 N24 -","4","1","","Sun, Hongtao; Wu, Hao; Zhang, Lili","Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1161","1162","10.1515/ncrs-2020-0223","","","0.71073","MoKα","","0.0799","0.0449","","","0.0979","0.1132","","","","","","1.016","","","","has coordinates","276019","2022-06-14","08:59:25",""
"8105409","13.8754","0.0008","7.7354","0.0005","18.4616","0.0011","90","","90","","90","","1981.5","0.2","300","2","300","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H19 F2 N O2 S -","- C23 H19 F2 N O2 S -","- C92 H76 F8 N4 O8 S4 -","4","1","","Lang, Tianqiong; Ye, Jianghai; Zou, Taishuang; Tian, Xiaolong; Zhao, Nengwu","The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1163","1165","10.1515/ncrs-2020-0225","","","0.71076","MoKα","","0.0608","0.0449","","","0.0973","0.1066","","","","","","1.066","","","","has coordinates","276020","2022-06-14","09:06:27",""
"8105410","7.7547","0.0016","7.8666","0.0016","8.2798","0.0017","90.46","0.03","96.24","0.03","93.25","0.03","501.24","0.18","310","","310","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N4 Ni O4 -","- C18 H26 N4 Ni O4 -","- C18 H26 N4 Ni O4 -","1","0.5","","Yuan, Ge; Dengwu, Wang; Xiaoping, Huo; Liguo, Yang; Cuihong, Zhang","Crystal structure of diacetato-κ1O-diethanol-κ1O-bis(μ2-2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenolato-κ4 O,N,O′:O′′)dinickel(II), C28H42Ni2N2O12","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1167","1168","10.1515/ncrs-2020-0230","","","0.71073","MoKα","","0.0301","0.0294","","","0.0867","0.0873","","","","","","1.0643","","","","has coordinates","276021","2022-06-14","09:09:53",""
"8105411","23.33","0.005","7.1347","0.0014","10.328","0.002","90","","108.33","0.03","90","","1631.9","0.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl Cu N2 O2 -","- C18 H16 Cl Cu N2 O2 -","- C72 H64 Cl4 Cu4 N8 O8 -","4","0.5","","Hu, Xu-Ze; Li, Guan-Feng; Li, Shi-Hui","The crystal structure of catena-poly[chlorido-(μ2-1,4-bis(pyridin-3-yl-methoxy)benzene-κ2 N:N′)copper(II)], C18H16ClN2O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1169","1170","10.1515/ncrs-2020-0231","","","0.71073","MoKα","","0.0328","0.0275","","","0.0726","0.0763","","","","","","1.036","","","","has coordinates","276022","2022-06-14","09:13:25",""
"8105412","10.587","0.0002","10.6944","0.0002","13.683","0.0003","100.7","0.001","110.09","0.001","104.735","0.001","1342.02","0.05","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 Ni O6 -","- C30 H24 N4 Ni O6 -","- C60 H48 N8 Ni2 O12 -","2","1","","Qiao, Hong-Tao; Zhao, San-Hu; Xi, Fu-Gui","N′,N′′′-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methaneylylidene))bis(2-hydroxybenzohydrazide)nickel(II), C30H24N4NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1171","1173","10.1515/ncrs-2020-0232","","","0.71073","MoKα","","0.0619","0.0388","","","0.0822","0.0925","","","","","","1.031","","","","has coordinates","276023","2022-06-14","09:22:30",""
"8105413","13.3575","0.0002","16.6645","0.0003","13.7678","0.0002","90","","96.489","0.0014","90","","3045.02","0.08","116.2","0.4","116.2","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 N5 O2 -","- C38 H37 N5 O2 -","- C152 H148 N20 O8 -","4","1","","Chu, Yi-Xin; Li, Kai-Hao; Yang, Han-Huan; Yuan, Juan","Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1175","1177","10.1515/ncrs-2020-0233","","x-ray","1.54184","CuKα","","0.044","0.0386","","","0.0976","0.1028","","","","","","1.03","","","","has coordinates","276024","2022-06-14","09:25:13",""
"8105414","9.6002","0.0005","10.4192","0.0005","11.0226","0.0005","93.412","0.004","98.094","0.004","98.787","0.004","1075.05","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N2 O8 -","- C25 H17 N2 O8 -","- C50 H34 N4 O16 -","2","1","","Chen, Shi-Jun; Tian, Wei; Hui, Yan-Ni; Zhu, Mei","Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1179","1181","10.1515/ncrs-2020-0237","","x-ray","0.71073","MoKα","","0.067","0.0547","","","0.1348","0.1426","","","","","","1.059","","","","has coordinates","276025","2022-06-14","09:28:05",""
"8105415","6.8614","0.0008","6.8614","0.0008","29.82","0.005","90","","90","","90","","1403.9","0.3","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H19 Cl N2 O2 -","- C14 H19 Cl N2 O2 -","- C56 H76 Cl4 N8 O8 -","4","1","","García-Beltrán, Olimpo; Areche, Carlos; Galdámez, Antonio; Moris, Silvana","The crystal structure of 1-carboxy-2-(1H-indol-3-yl)-N,N,N-trimethylethan-1-ammonium chloride, C14H19N2O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1183","1185","10.1515/ncrs-2020-0240","","","0.71073","MoKα","","0.0368","0.0311","","","0.0539","0.0549","","","","","","1.058","","","","has coordinates","276026","2022-06-14","09:30:55",""
"8105416","3.9894","0.0004","13.6128","0.0011","14.7495","0.0012","90","","90","","90","","801","0.12","150.03","","150.03","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Br F N O3 -","- C6 H5 Br F N O3 -","- C24 H20 Br4 F4 N4 O12 -","4","1","","Cai, Bin; Meng, Yu-Ning; Zhu, Meng-En; Yao, Xi-Shuang; Chen, Gang","The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1187","1188","10.1515/ncrs-2020-0241","","","0.71073","MoKα","","0.0248","0.0213","","","0.0459","0.0465","","","","","","1.05","","","","has coordinates","276027","2022-06-14","09:33:50",""
"8105417","6.8088","0.0008","6.7699","0.0009","9.9351","0.0012","90","","105.416","0.003","90","","441.48","0.09","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N2 O2 -","- C7 H7 F3 N2 O2 -","- C14 H14 F6 N4 O4 -","2","0.5","","Jaćimović, Željko. K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Kosović, Milica; Libowitzky, Eugen; Giester, Gerald","Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1189","1190","10.1515/ncrs-2020-0242","","","0.71073","MoKα","","0.0499","0.0398","","","0.1115","0.1192","","","","","","1.095","","","","has coordinates","276037","2022-06-15","06:43:18",""
"8105418","10.9867","0.0002","15.4753","0.0003","15.5666","0.0003","85.583","0.002","81.294","0.002","84.844","0.002","2600.18","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Mo5 N8 O23 P2 -","- C40 H42 Mo5 N8 O23 P2 -","- C80 H84 Mo10 N16 O46 P4 -","2","1","","Ma, Feng-Xia; Jiang, Jin-Ke; Yuan, Yuan; Li, Dong-Dong","Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1191","1193","10.1515/ncrs-2020-0245","","x-ray","0.71073","MoKα","","0.0271","0.0208","","","0.0457","0.0485","","","","","","1.056","","","","has coordinates","276038","2022-06-15","06:48:00",""
"8105419","10.5279","0.0011","21.242","0.002","10.7096","0.0011","90","","119.185","0.001","90","","2091","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F6 N S -","- C24 H15 F6 N S -","- C96 H60 F24 N4 S4 -","4","1","","Kou, Jianlan","Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1195","1197","10.1515/ncrs-2020-0246","","","0.71073","MoKα","","0.0611","0.0488","","","0.1358","0.1441","","","","","","1.034","","","","has coordinates","276039","2022-06-15","06:52:00",""
"8105420","26.784","0.01","8.837","0.003","12.759","0.004","90","","90","","90","","3019.9","1.8","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H196 N4 O8 P4 Rh4 -","- C128 H196 N4 O8 P4 Rh4 -","- C128 H196 N4 O8 P4 Rh4 -","1","0.25","","Mokolokolo, Pennie P.; Alexander, Orbett T.; Schutte-Smith, Marietjie; Brink, Alice; Roodt, Andreas","Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1199","1201","10.1515/ncrs-2020-0248","","","0.71073","MoKα","","0.0432","0.04","","","0.0906","0.092","","","","","","1.165","","","","has coordinates","276040","2022-06-15","06:55:27",""
"8105421","8.3476","0.0015","9.5742","0.0017","12.435","0.002","87.606","0.005","74.502","0.005","88.028","0.005","956.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N5 O6 Re -","- C18 H12 N5 O6 Re -","- C36 H24 N10 O12 Re2 -","2","1","","Ramoba, Lesetja V.; Alexander, Orbett T.; Visser, Hendrik G.; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2 N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1203","1205","10.1515/ncrs-2020-0249","","","0.71073","MoKα","","0.0235","0.0213","","","0.0513","0.0523","","","","","","1.096","","","","has coordinates,has disorder","276041","2022-06-15","07:12:14",""
"8105422","27.01","0.0011","7.4753","0.0005","15.4781","0.0006","90","","118.821","0.003","90","","2738","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N8 Ni O6 -","- C28 H22 N8 Ni O6 -","- C112 H88 N32 Ni4 O24 -","4","0.5","","Xu, Xue-Li; Li, Shi-Hui; Guo, Jin-Bo","Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2 N:O)nickel(II)], C28H22O6N8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1207","1208","10.1515/ncrs-2020-0250","","","0.71073","MoKα","","0.0453","0.0404","","","0.1097","0.113","","","","","","1.018","","","","has coordinates","276042","2022-06-15","07:16:28",""
"8105423","9.9281","0.0004","19.1304","0.0008","22.0724","0.001","66.036","0.004","87.374","0.004","85.61","0.003","3819.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H68 Co2 N3 O16 -","- C93 H68 Co2 N3 O16 -","- C186 H136 Co4 N6 O32 -","2","1","","Tang, Qian-Qian; Li, Shi-Hui; Cheng, Zhan-Quan","Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2 N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4 O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2 O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1209","1212","10.1515/ncrs-2020-0255","","x-ray","0.71073","MoKα","","0.0852","0.058","","","0.1161","0.1276","","","","","","1.146","","","","has coordinates","276043","2022-06-15","07:21:21",""
"8105424","8.042","0.0005","11.7999","0.0006","30.1609","0.0017","90","","90","","90","","2862.1","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O3 -","- C32 H50 O3 -","- C128 H200 O12 -","4","1","","Latolla, Nehemiah; Hosten, Eric C.; Hlangothi, Buyiswa G.","The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1213","1215","10.1515/ncrs-2020-0259","","","0.71073","MoKα","","0.1027","0.0712","","","0.1817","0.2046","","","","","","1.075","","","","has coordinates","276044","2022-06-15","07:25:27",""
"8105425","7.3086","0.0015","12.174","0.003","26.355","0.006","90","","94.5","0.002","90","","2337.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(1,2-phenylenebis(methylene))bis(1-methyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V)","","- C16 H20 F12 N4 P2 -","- C16 H20 F12 N4 P2 -","- C64 H80 F48 N16 P8 -","4","1","","Yao-Hong, Zhou; Ting, Huang; Xu-Liang, Nie; Jing, Chen; Wan-Ming, Xiong","Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1217","1219","10.1515/ncrs-2020-0268","","","0.71073","MoKα","","0.0915","0.0742","","","0.2081","0.2262","","","","","","1.086","","","","has coordinates","276045","2022-06-15","07:29:03",""
"8105426","5.8031","0.0002","13.0103","0.0004","10.2425","0.0003","90","","98.954","0.003","90","","763.89","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 O8 Zn -","- C4 H8 O8 Zn -","- C16 H32 O32 Zn4 -","4","1","","Li, Mao-Chun; Zhang, Ji-Ren; Yuan, Shuang-Xing; Zhang, Dong","Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4 O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1221","1222","10.1515/ncrs-2020-0269","","","0.71073","MoKα","","0.0422","0.033","","","0.0746","0.0784","","","","","","1.082","","","","has coordinates","276046","2022-06-15","07:35:32",""
"8105427","11.0421","0.0003","6.4971","0.00016","20.4687","0.0004","90","","97.922","0.002","90","","1454.44","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O5 -","- C31 H48 O5 -","- C62 H96 O10 -","2","1","","Mou, Xiao-Dong; Wang, Hui-Yun; Sun, Ke-Wei; Luan, Ming-Zhu; Meng, Qing-Guo","The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1223","1225","10.1515/ncrs-2020-0275","","x-ray","1.54184","CuKα","","0.0471","0.0382","","","0.094","0.1024","","","","","","1.038","","","","has coordinates","276047","2022-06-15","07:38:12",""
"8105428","29.7356","0.0003","5.88712","0.00004","11.10915","0.00009","90","","99.17","0.0008","90","","1919.88","0.03","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H12 Br2 O -","- C14 H12 Br2 O -","- C84 H72 Br12 O6 -","6","1.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1227","1229","10.1515/ncrs-2020-0280","","","1.54184","CuKα","","0.0167","0.0166","","","0.0442","0.0443","","","","","","1.007","","","","has coordinates","276067","2022-06-16","09:18:50",""
"8105429","7.9719","0.0002","10.3854","0.0002","13.1042","0.0003","81.451","0.002","72.444","0.002","87.93","0.002","1022.85","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Mo N2 O7 S -","- C19 H22 Mo N2 O7 S -","- C38 H44 Mo2 N4 O14 S2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3 N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1231","1233","10.1515/ncrs-2020-0281","","","1.54184","CuKα","","0.0182","0.0181","","","0.0502","0.0503","","","","","","1.017","","","","has coordinates","276068","2022-06-16","09:56:46",""
"8105430","8.243","0.0001","13.7471","0.0001","11.1619","0.0002","90","","110.864","0.002","90","","1181.9","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl2 O2 S2 Sn -","- C20 H30 Cl2 O2 S2 Sn -","- C40 H60 Cl4 O4 S4 Sn2 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC 1)tin(IV), C20H30Cl2O2S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1235","1237","10.1515/ncrs-2020-0282","","","1.54184","CuKα","","0.0168","0.0164","","","0.0441","0.0445","","","","","","1.073","","","","has coordinates","276117","2022-06-21","07:37:03",""
"8105431","6.5543","0.0012","11.875","0.002","14.386","0.003","71.803","0.003","81.663","0.003","89.928","0.003","1051.3","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N4 O4 -","- C21 H28 N4 O4 -","- C42 H56 N8 O8 -","2","1","","Li, Li-Lang; Yu, Chang-Jin; Shi, Qing; Zhang, Qi-Long; Yang, Xian-Jiong","Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1239","1240","10.1515/ncrs-2020-0283","","","0.71073","MoKα","","0.0798","0.0548","","","0.1581","0.1762","","","","","","1.065","","","","has coordinates","276118","2022-06-21","07:44:26",""
"8105432","12.7348","0.0002","14.6361","0.0003","24.158","0.0006","90","","90","","90","","4502.76","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl4 O S Sn -","- C20 H18 Cl4 O S Sn -","- C160 H144 Cl32 O8 S8 Sn8 -","8","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1241","1243","10.1515/ncrs-2020-0291","","","1.54184","CuKα","","0.0366","0.0337","","","0.0888","0.0913","","","","","","1.037","","","","has coordinates,has disorder","276119","2022-06-21","07:54:05",""
"8105433","13.2126","0.0004","5.9418","0.0001","14.6038","0.0003","90","","100.395","0.003","90","","1127.68","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N Na O3 S2 -","- C6 H16 N Na O3 S2 -","- C24 H64 N4 Na4 O12 S8 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1245","1247","10.1515/ncrs-2020-0292","","","1.54184","CuKα","","0.0323","0.0287","","","0.076","0.0788","","","","","","1.035","","","","has coordinates","276120","2022-06-21","07:57:20",""
"8105434","10.318","0.0001","18.1008","0.0001","20.9015","0.0002","90","","94.536","0.001","90","","3891.42","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl6 S3 Sn3 -","- C36 H24 Cl6 S3 Sn3 -","- C144 H96 Cl24 S12 Sn12 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1249","1251","10.1515/ncrs-2020-0293","","","1.54184","CuKα","","0.0189","0.0177","","","0.0442","0.0448","","","","","","1.013","","","","has coordinates","276121","2022-06-21","08:00:14",""
"8105435","7.9074","0.0003","20.4341","0.0007","11.0406","0.0004","90","","90.6004","0.0016","90","","1783.85","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","Shin, Soon Young; Yoo, Miri; Koh, Dongsoo","Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1253","1255","10.1515/ncrs-2020-0298","","","0.71073","MoKα","","0.0779","0.0467","","","0.11","0.126","","","","","","1.028","","","","has coordinates","276122","2022-06-21","08:03:47",""
"8105436","12.2878","0.0003","4.8442","0.0001","7.0931","0.0001","90","","97.546","0.002","90","","418.557","0.015","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N4 O2 -","- C6 H14 N4 O2 -","- C12 H28 N8 O4 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of hexanedihydrazide, C6H14N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1257","1258","10.1515/ncrs-2020-0301","","","1.54184","CuKα","","0.0317","0.029","","","0.0805","0.0829","","","","","","1.085","","","","has coordinates","276123","2022-06-21","08:09:59",""
"8105437","11.4784","0.0007","9.018","0.0008","17.9483","0.0017","90","","92.823","0.007","90","","1855.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Costenaro, Edson R.; Correia, Carlos Roque D.; Tiekink, Edward R.T.","Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1259","1261","10.1515/ncrs-2020-0305","","","0.71073","MoKα","","0.1658","0.0505","","","0.1237","0.1611","","","","","","0.977","","","","has coordinates","276124","2022-06-21","08:13:59",""
"8105438","8.6339","0.0003","11.0503","0.0003","14.5091","0.0005","95.615","0.002","105.606","0.003","94.009","0.002","1320.14","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Au N2 O3 P S -","- C28 H26 Au N2 O3 P S -","- C56 H52 Au2 N4 O6 P2 S2 -","2","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1263","1265","10.1515/ncrs-2020-0306","","","0.71073","MoKα","","0.0376","0.0332","","","0.0848","0.0886","","","","","","1.073","","","","has coordinates","276125","2022-06-21","08:17:09",""
"8105439","10.2034","0.0008","11.5755","0.0009","15.7533","0.0012","69.948","0.002","86.496","0.002","71.37","0.002","1653.8","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Au N2 O4 P S -","- C34 H38 Au N2 O4 P S -","- C68 H76 Au2 N4 O8 P2 S2 -","2","1","","Kuan, Fong Sheen; Tiekink, Edward R.T.","Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1267","1269","10.1515/ncrs-2020-0318","","","0.71069","MoKα","","0.0435","0.0355","","","0.0823","0.0858","","","","","","0.979","","","","has coordinates","276126","2022-06-21","08:21:04",""
"8105440","10.2722","0.001","10.6897","0.0011","12.5667","0.0013","79.698","0.009","72.168","0.009","63.166","0.01","1170.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cd N3 O8 -","- C25 H22 Cd N3 O8 -","- C50 H44 Cd2 N6 O16 -","2","1","","Li, Shi-Hui; Li, Guan-Feng; Zhang, Li","Crystal structure of poly[tetraaqua-bis(μ4-5-(4-carboxy-benzylamino)-isophthalato-κ4 O,O′:O′′:O′′′)-(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2 N:N′)dicadmium(II)], C25H22N3O8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1271","1273","10.1515/ncrs-2020-0228","","x-ray","0.71073","MoKα","","0.09","0.0618","","","0.0984","0.1078","","","","","","1.066","","","","has coordinates","276127","2022-06-21","08:47:32",""
"8105441","12.6187","0.0007","9.4445","0.0005","13.7424","0.0008","90","","99.248","0.005","90","","1616.49","0.16","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Li-Hua, Wang; Xi-Shi, Tai","The crystal structure of 2-(2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenoxy)acetate, C19H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1275","1276","10.1515/ncrs-2020-0238","","x-ray","1.54184","CuKα","","0.0874","0.0793","","","0.2193","0.222","","","","","","1.233","","","","has coordinates","276128","2022-06-21","09:13:33",""
"8105442","33.298","0.0015","7.8254","0.0003","13.8939","0.0009","90","","92.506","0.005","90","","3616.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cl4 N4 O4 Zn -","- C38 H28 Cl4 N4 O4 Zn -","- C152 H112 Cl16 N16 O16 Zn4 -","4","0.5","","Tang, Qian-Qian; Li, Shi-Hui","Crystal structure of poly[aqua-μ2-4,4′-bipyridine-κ2 N:N′)-μ2-bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2 O,O′)zinc(II)], C38H28Cl4N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1277","1278","10.1515/ncrs-2020-0254","","","0.71073","MoKα","","0.0926","0.0702","","","0.1613","0.1774","","","","","","1.037","","","","has coordinates","276129","2022-06-21","09:16:04",""
"8105443","7.1229","0.0008","12.8851","0.0013","15.0472","0.0015","92.354","0.002","103.338","0.002","91.502","0.002","1341.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C66 H58 N6 O6 -","2","1","","Li, Ying Fen; Wei, Xian; Bai, Song; Lv, Meng Lan","Crystal structure of 1-(2-(1H-indol-3-yl)ethyl)-4-benzyl-3-hydroxy-3,6-diphenylpiperazine-2,5-dione, C33H29N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1279","1280","10.1515/ncrs-2020-0257","","","0.71073","MoKα","","0.0466","0.0364","","","0.1009","0.1074","","","","","","0.964","","","","has coordinates","276130","2022-06-21","09:19:14",""
"8105444","13.5114","0.0008","16.5735","0.0007","17.0403","0.0009","90","","107.528","0.006","90","","3638.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl2 N4 O7 Zn -","- C40 H32 Cl2 N4 O7 Zn -","- C160 H128 Cl8 N16 O28 Zn4 -","4","1","","Li-Hua, Wang; Lei, Liang; Xi-Shi, Tai","The crystal structure 2,2′-bipyridine-κ2 N,N′-(2-(3-amino-4-chlorobenzoyl)benzoato-κ1 O)-(2-(3-amino-4-chlorobenzoyl)benzoato-κ2 O,O′)zinc(II) — ethanol (1/1), C40H32Cl2N4O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1281","1283","10.1515/ncrs-2020-0261","","x-ray","0.71073","MoKα","","0.0555","0.0398","","","0.0749","0.0831","","","","","","1.041","","","","has coordinates","276131","2022-06-21","09:21:41",""
"8105445","9.6569","0.0008","10.3941","0.0007","24.9421","0.0016","97.162","0.005","90.953","0.006","107.788","0.007","2361.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Cu N4 O9 -","- C60 H40 Cu N4 O9 -","- C120 H80 Cu2 N8 O18 -","2","1","","Li, Shi-Hui; Tang, Qian-Qian","Crystal structure of catena-poly[(μ3-2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ3O:O′:O′′)-bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-k1 N)copper(II)], C60H40N4O9Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1285","1287","10.1515/ncrs-2020-0266","","x-ray","0.71073","MoKα","","0.1196","0.0729","","","0.1407","0.1609","","","","","","1.03","","","","has coordinates","276132","2022-06-21","09:24:29",""
"8105446","9.9218","0.0008","14.6941","0.0011","13.5697","0.001","90","","90","","90","","1978.4","0.3","173","2","172.9","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H16 Li5 N O13 -","- C20 H16 Li5 N O13 -","- C80 H64 Li20 N4 O52 -","4","0.5","","Li, Ying; Qin, Yu-Cai; Chen, Bao-Kuan","The crystal structure of dimethylammonium catena-[di(μ-aqua)-bis(μ9-benzene-1,3,5-tricarboxylato)pentalithium], C20H16Li5NO13","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1289","1291","10.1515/ncrs-2020-0270","","","0.71073","MoKα","","0.0863","0.0439","","","0.083","0.096","","","","","","1.003","","","","has coordinates","276145","2022-06-22","08:56:22",""
"8105447","7.3274","0.0004","15.6403","0.0005","11.8035","0.0006","90","","106.966","0.005","90","","1293.84","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N10 Ni O6 -","- C24 H28 N10 Ni O6 -","- C48 H56 N20 Ni2 O12 -","2","0.5","","Xu, Xue-Li; Li, Shi-Hui","Crystal structure of tetraaqua-bis(3,5-di(pyridin-4-yl)-1,2,4-triazol-1-ido-κ1 N)nickel(II) dihydrate, C24H28O6N10Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1293","1294","10.1515/ncrs-2020-0273","","x-ray","0.71073","MoKα","","0.0458","0.0397","","","0.0962","0.1002","","","","","","1.04","","","","has coordinates","276146","2022-06-22","08:59:28",""
"8105448","9.6165","0.0006","16.6705","0.001","15.2726","0.0007","90","","121.63","0.003","90","","2084.7","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N8 O5 S V -","- C16 H24 N8 O5 S V -","- C64 H96 N32 O20 S4 V4 -","4","1","","Zhang, Gang; Luan, Jian; Wang, Xiao-Jie","The crystal structure of tetrakis(1-methylimidazole-κ1 N)-oxido-(sulfato-κ1 O)vanadium(IV), C16H24N8O5SV","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1295","1296","10.1515/ncrs-2020-0276","","","0.71073","MoKα","","0.0521","0.0417","","","0.1184","0.1443","","","","","","1.179","","","","has coordinates","276147","2022-06-22","09:02:51",""
"8105449","8.5858","0.0002","9.2397","0.0004","13.7831","0.0008","97.11","0.03","103.23","0.03","113.33","0.03","948.8","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N O5 -","- C24 H17 N O5 -","- C48 H34 N2 O10 -","2","1","","Fang, Bo; Meng, Jiang Ping; Luo, Yan","Crystal structure of methyl 2-(6,11-dioxo-2,3,6,11-tetrahydro-1H-benzo[f]pyrrolo[2,1-a]isoindole-5-carbonyl)benzoate, C24H17NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1297","1299","10.1515/ncrs-2020-0278","","","0.71073","MoKα","","0.0903","0.0545","","","0.1468","0.1669","","","","","","0.981","","","","has coordinates","276148","2022-06-22","09:07:38",""
"8105450","12.107","0.003","7.8431","0.0019","21.794","0.005","90","","98.233","0.005","90","","2048.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","1","","Chen, Xiao-Li; Sun, Le-Tao; Zhang, Qi-Long; Xu, Hong; Yang, Xian-Jiong","Crystal structure of (E)-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene) nicotinohydrazide monohydrate, C20H24N4O3 ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1301","1302","10.1515/ncrs-2020-0284","","","0.71073","MoKα","","0.0899","0.0458","","","0.1018","0.1208","","","","","","1.029","","","","has coordinates","276149","2022-06-22","09:08:47",""
"8105451","11.3692","0.0007","17.5938","0.001","12.1825","0.0007","90","","108.636","0.001","90","","2309.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Co N18 O10 -","- C42 H52 Co N18 O10 -","- C84 H104 Co2 N36 O20 -","2","0.5","","Sun, Yabin; Chen, Yan; Wang, Daguang","Crystal structure of poly[bis(μ3-(1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole-κ3N:N′:N′′)cobalt(II)] dinitrate — N,N-dimethylformamide (1/4), C42H52N18O10Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1303","1305","10.1515/ncrs-2020-0285","","","0.71073","MoKα","","0.0376","0.0308","","","0.0729","0.0765","","","","","","1.04","","","","has coordinates","276150","2022-06-22","09:12:24",""
"8105452","11.155","0.005","13.889","0.006","14.081","0.006","64.544","0.012","79.558","0.014","87.084","0.014","1936.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Co Mo4 N12 O13 -","- C24 H36 Co Mo4 N12 O13 -","- C48 H72 Co2 Mo8 N24 O26 -","2","1","","Zhang, Gang; Luan, Jian; Wang, Xiao-Jie","The crystal structure bis{hexakis(1-methyl-1H-imidazole-κ1N)cobalt(II)} tetrakis(μ3-oxido)-octakis(μ2-oxido)-tetradecaoxido-octamolybdate(VI), C24H36CoMo4N12O13","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1307","1309","10.1515/ncrs-2020-0289","","","0.71073","MoKα","","0.0508","0.0365","","","0.1013","0.1171","","","","","","1.238","","","","has coordinates","276151","2022-06-22","09:15:10",""
"8105453","8.4845","0.0001","9.2814","0.0001","15.5517","0.0002","83.005","0.001","81.918","0.001","74.69","0.001","1164.87","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 N4 O10 Sn2 -","- C52 H48 N4 O10 Sn2 -","- C52 H48 N4 O10 Sn2 -","1","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of di-μ-nicotinato-κ2 N:O; κ2 O:N-bis-[aqua-bis(benzyl)(nicotinato-κ2 O,O′)tin(IV)], C52H48N4O10Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1311","1313","10.1515/ncrs-2020-0294","","","1.54184","CuKα","","0.018","0.0173","","","0.0448","0.0453","","","","","","1.025","","","","has coordinates","276152","2022-06-22","09:18:18",""
"8105454","13.0864","0.0007","25.6216","0.0009","12.2253","0.0007","90","","112.027","0.006","90","","3799.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cl Mn0.5 N4 O3.5 -","- C20 H15 Cl Mn0.5 N4 O3.5 -","- C160 H120 Cl8 Mn4 N32 O28 -","8","1","","Xu, Qiang; Zhang, Hong Yan; Luo, Xiao fang; Li, Guo qiang","Crystal structure of dichlorido-bis[2-(2-(3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl)phenoxy)benzoic acidmanganese(II) monohydrate, C40H30N8O7MnCl2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1315","1317","10.1515/ncrs-2020-0295","","","1.54184","CuKα","","0.0586","0.0413","","","0.092","0.1001","","","","","","1.022","","","","has coordinates","276153","2022-06-22","09:21:43",""
"8105455","6.98138","0.00017","37.905","0.0006","7.28644","0.00016","90","","117.789","0.003","90","","1705.83","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C78 H108 O10 -","2","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Wang, Xiao-Hui; Liu, Li; Meng, Qing-Guo","The crystal structure of benzyl 3β-acetylglycyrrhetate, C39H54O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1319","1321","10.1515/ncrs-2020-0296","","x-ray","1.54184","CuKα","","0.0345","0.0326","","","0.0852","0.0872","","","","","","1.04","","","","has coordinates","276154","2022-06-22","09:29:59",""
"8105456","11.1713","0.0003","17.7718","0.0005","10.9852","0.0003","90","","118.99","0.001","90","","1907.67","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-benzyl-3-(4-methoxystyryl)quinoxalin- 2(1<i>H</i>)-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Missioui, Mohcine; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of (E)-1-benzyl-3-(4-methoxystyryl)quinoxalin-2(1H)-one, C24H20N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1323","1325","10.1515/ncrs-2020-0300","","","1.54178","CuKα","","0.0617","0.0538","","","0.1477","0.1582","","","","","","1.057","","","","has coordinates","276162","2022-06-23","07:04:25",""
"8105457","8.2966","0.0001","11.4971","0.0002","14.3311","0.0002","90.322","0.002","101.783","0.001","95.78","0.001","1330.91","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Cl4 N2 O S Sn -","- C26 H22 Cl4 N2 O S Sn -","- C52 H44 Cl8 N4 O2 S2 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of trans-dichloridobis(4-chlorophenyl-κC 1)(1,10-phenanthroline-κ2 N,N′)tin(IV) dimethylsulphoxide solvate, C26H22Cl4N2OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1327","1329","10.1515/ncrs-2020-0302","","","1.54184","CuKα","","0.0269","0.0258","","","0.0675","0.0684","","","","","","1.033","","","","has coordinates","276163","2022-06-23","07:09:04",""
"8105458","9.6248","0.0018","10.848","0.002","14.099","0.003","95.822","0.002","105.907","0.002","102.404","0.002","1362.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C72 H56 N4 O4 -","2","1","","Li, Xue; Chen, Chao; Zhang, Mei-Hang; Wang, Jin-Min; Feng, Fu-Min","Crystal structure of phenyl(1,3,4a-triphenyl-4a,5,6,10b-tetrahydro-1H-[1,4]oxazino[2,3-c]quinolin-5-yl)methanone, C36H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1331","1333","10.1515/ncrs-2020-0303","","","0.71073","MoKα","","0.0812","0.0497","","","0.1115","0.1205","","","","","","1.025","","","","has coordinates","276164","2022-06-23","07:13:54",""
"8105459","5.6034","0.0007","8.7105","0.0011","12.5661","0.0016","92.79","0.007","100.516","0.007","106.105","0.006","576.15","0.13","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Zhai, Shengxian; Yu, Youzhu; Niu, Yongsheng; Han, Chuchu","Crystal structure of (4aS,5S,6aS,6a1S, 10aS)-4a,5,6a,6a 1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran-6(2H)-one, C15H16O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1335","1337","10.1515/ncrs-2020-0304","","","0.71073","MoKα","","0.0516","0.0476","","","0.1305","0.1348","","","","","","1.061","","","","has coordinates","276165","2022-06-23","07:17:50",""
"8105460","9.7445","0.0003","12.4105","0.0004","21.9727","0.0009","90","","100.113","0.001","90","","2615.96","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Au Cl N O P S -","- C28 H26 Au Cl N O P S -","- C112 H104 Au4 Cl4 N4 O4 P4 S4 -","4","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of [(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuClNOPS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1339","1341","10.1515/ncrs-2020-0307","","","0.71073","MoKα","","0.0428","0.0292","","","0.0612","0.0677","","","","","","1.043","","","","has coordinates","276166","2022-06-23","07:20:51",""
"8105461","8.5422","0.0003","13.2143","0.0004","14.0226","0.0004","65.764","0.003","78.311","0.002","80.09","0.003","1406.39","0.08","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H56 Au2 Cl2 Fe N4 O2 P2 S2 -","- C58 H56 Au2 Cl2 Fe N4 O2 P2 S2 -","- C58 H56 Au2 Cl2 Fe N4 O2 P2 S2 -","1","0.5","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-P,P′)-bis[(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-S]-di-gold(I) acetonitrile di-solvate, C54H50Au2Cl2FeN2O2P2S2⋅2(C2H3N)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1343","1345","10.1515/ncrs-2020-0308","","","0.71073","MoKα","","0.0241","0.0213","","","0.0461","0.0477","","","","","","1.041","","","","has coordinates","276167","2022-06-23","07:32:53",""
"8105462","5.4371","0.0007","17.567","0.002","11.884","0.0018","90","","101.043","0.009","90","","1114.1","0.3","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","1","","Zhai, Shengxian; Chen, Lunjian; Niu, Yongsheng; Han, Chuchu","Crystal structure of (6aR,6a1S,10aS)-2,4a,6a,6a 1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran, C15H16O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1347","1348","10.1515/ncrs-2020-0309","","","0.71073","MoKα","","0.0501","0.0422","","","0.1091","0.1155","","","","","","1.053","","","","has coordinates","276168","2022-06-23","07:36:13",""
"8105463","11.6965","0.001","13.8078","0.0011","16.3257","0.0014","90","","90","","90","","2636.6","0.4","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H26 Cl2 O6 -","- C31 H26 Cl2 O6 -","- C124 H104 Cl8 O24 -","4","0.5","","Wu, Chong; Liu, Xiao-Long; An, Rui; Yang, Ye","Crystal structure of 5,17-diformyl-25,26,27,28-tetrahydroxycalix[4]arene- dichloromethane, C31H26Cl2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1349","1350","10.1515/ncrs-2020-0310","","","0.71073","MoKα","","0.1014","0.0765","","","0.1384","0.1487","","","","","","1.193","","","","has coordinates","276169","2022-06-23","07:40:44",""
"8105464","8.8035","0.0002","11.4764","0.0003","21.2293","0.0006","83.55","0.002","82.256","0.002","83.793","0.002","2102.4","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C88 H84 Au4 F4 N4 O4 P4 S4 -","2","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Correia, Carlos Roque D.; Tiekink, Edward R.T.","Crystal structure of 2-tert-butyl 1-methyl 5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate, C19H24N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1351","1354","10.1515/ncrs-2020-0313","","","0.71073","MoKα","","0.0344","0.0268","","","0.0543","0.0577","","","","","","1.038","","","","has coordinates,has disorder","276170","2022-06-23","07:53:05",""
"8105465","7.7509","0.0002","12.784","0.0003","15.8689","0.0004","89.087","0.002","87.065","0.002","84.797","0.002","1563.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 Au O2 P S -","- C13 H20 Au O2 P S -","- C52 H80 Au4 O8 P4 S4 -","4","2","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of [2-carboxybenzene-1-thiolato-S]-(triethylphosphane-P)-gold(I), C13H20AuO2PS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1355","1358","10.1515/ncrs-2020-0314","","","1.54178","CuKα","","0.0284","0.0282","","","0.0794","0.0795","","","","","","1.152","","","","has coordinates","276171","2022-06-23","07:56:13",""
"8105466","12.7831","0.0004","4.7197","0.0001","12.1802","0.0004","90","","114.557","0.001","90","","668.39","0.03","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu O4 -","- C16 H14 Cu O4 -","- C32 H28 Cu2 O8 -","2","0.5","","Wu, Qin","Synthesis and crystal structure of bis(5-methyl-2-aldehyde-phenolato-κ2 O 1,O 2)copper(II), C16H14CuO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1359","1360","10.1515/ncrs-2020-0315","","","0.71073","MoKα","","0.0243","0.0211","","","0.061","0.0624","","","","","","1.091","","","","has coordinates","276172","2022-06-23","08:03:33",""
"8105467","13.4778","0.0009","14.2036","0.0009","15.2206","0.001","69.637","0.001","72.355","0.001","64.861","0.001","2431.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Cd2 N4 O15 P4 Si -","- C44 H42 Cd2 N4 O15 P4 Si -","- C88 H84 Cd4 N8 O30 P8 Si2 -","2","1","","Wang, Baogang; Man, Xiaxia","Crystal structure of poly[triaqua-(di(2,2′-bipyridine-κ2 N,N′)-μ4-silanetetrayltetrakis(benzene-4,1-diyl)tetrakis (hydrogen phosphonato)-κ4 O:O′:O′′:O′′′) dicadmium(II)], C44H42N4O15P4Cd2Si","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1361","1363","10.1515/ncrs-2020-0316","","","0.71073","MoKα","","0.0573","0.0428","","","0.0909","0.0987","","","","","","1.013","","","","has coordinates","276173","2022-06-23","08:06:42",""
"8105468","9.0672","0.0002","11.2091","0.0003","16.6853","0.0004","91.097","0.002","90.363","0.002","110.989","0.002","1582.85","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H50 Ag2 N2 P2 S4 -","- C22 H50 Ag2 N2 P2 S4 -","- C44 H100 Ag4 N4 P4 S8 -","2","1","","Yeo, Chien Ing; Tan, Yi Jiun; Shiomitsu, Aya; Chew, Jactty; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of bis[μ2-(N,N-diethylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C22H50Ag2N2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1365","1368","10.1515/ncrs-2020-0317","","","1.54184","CuKα","","0.0246","0.0241","","","0.0649","0.0653","","","","","","1.094","","","","has coordinates","276174","2022-06-23","08:15:00",""
"8105469","10.2008","0.0003","12.2058","0.0003","13.2466","0.0004","88.155","0.002","87.256","0.002","69.324","0.002","1541.11","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Ag2 N2 P2 S4 -","- C22 H46 Ag2 N2 P2 S4 -","- C44 H92 Ag4 N4 P4 S8 -","2","1","","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of bis[μ2-(pyrrolidine-1-carbodithioato-κS:κS,κS′)]-bis(triethylphosphine-κP)disilver(I), C22H46Ag2N2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1369","1371","10.1515/ncrs-2020-0319","","","1.54184","CuKα","","0.0256","0.0237","","","0.0606","0.0622","","","","","","1.034","","","","has coordinates,has disorder","276175","2022-06-23","08:19:10",""
"8105470","9.3895","0.0001","13.1597","0.0002","13.1803","0.0002","88.119","0.001","86.601","0.001","70.173","0.001","1529.22","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H46 Ag2 N2 O2 P2 S4 -","- C20 H46 Ag2 N2 O2 P2 S4 -","- C40 H92 Ag4 N4 O4 P4 S8 -","2","1","","Yeo, Chien Ing; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of bis[μ2-(N-(2-hydroxyethyl)-N-methylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C20H46Ag2N2O2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1373","1376","10.1515/ncrs-2020-0320","","","1.54184","CuKα","","0.0172","0.0162","","","0.0401","0.0406","","","","","","1.007","","","","has coordinates","276176","2022-06-23","08:22:57",""
"8105471","22.827","0.005","7.883","0.0016","16.02","0.003","90","","98.95","0.03","90","","2847.6","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>,2'<i>E</i>)-,2,2'-bis[1-(2-pyrazinyl)ethylidene]carbonimidic dihydrazide","","- C13 H15 N9 -","- C13 H15 N9 -","- C104 H120 N72 -","8","1","","Ji, Xiao-Hui; Liu, Ye; Liu, Mei-Ling; Zhao, Juan; Lu, Jiu-Fu","The crystal structure of (2E,2′E)-,2,2′-bis[1-(2-pyrazinyl)ethylidene]carbonimidic dihydrazide, C13H15N9","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1377","1379","10.1515/ncrs-2020-0322","","","0.71073","MoKα","","0.0568","0.0416","","","0.1238","0.1331","","","","","","1.079","","","","has coordinates","276177","2022-06-23","08:33:24",""
"8105472","15.685","0.004","9.317","0.002","18.373","0.004","90","","114.422","0.007","90","","2444.7","1","112","","112","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br0.5 N2.5 -","- C15 H12 Br0.5 N2.5 -","- C120 H96 Br4 N20 -","8","2","","Alexander, Orbett T.; Roodt, Andreas","The crystal structure of (E)-1-(quinolin-2-ylmethyl)-2-((1-(quinolin-2-ylmethyl)pyridin-2(1H)-ylidene)amino)pyridin-1-ium, C30H25BrN5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1381","1383","10.1515/ncrs-2020-0323","","","0.71073","MoKα","","0.055","0.0377","","","0.0782","0.0849","","","","","","1.017","","","","has coordinates","276178","2022-06-23","08:38:25",""
"8105473","13.655","0.003","8.7038","0.0017","23.26","0.005","90","","102.51","0.03","90","","2698.8","1","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C21 H22 Hg N12 O7 -","- C21 H22 Hg N12 O7 -","- C84 H88 Hg4 N48 O28 -","4","1","","Sun, Shu-Xiang; Lu, Zhi-Min; Zhang, Ke-Qing; Yao, Pei","Crystal structure of catena-poly[(μ2-1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ2 N:N′)-(1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ1N)-(methanol-κ1 O)mercury(II)] dinitrate, C21H22N12O7Hg","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1385","1387","10.1515/ncrs-2020-0324","","","0.71073","MoKα","","0.058","0.0446","","","0.081","0.0875","","","","","","1.038","","","","has coordinates","276179","2022-06-23","08:47:33",""
"8105474","10.7095","0.0003","8.1455","0.0002","27.5374","0.0008","90","","90","","90","","2402.2","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","","Olomola, Temitope O.; Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of 1-(6-hydroxy-2-phenylbenzofuran-5-yl)ethan-1-one, C16H12O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1389","1391","10.1515/ncrs-2020-0330","","x-ray","0.71073","MoKα","","0.0538","0.0369","","","0.0861","0.0947","","","","","","1.019","","","","has coordinates","276180","2022-06-23","08:53:40",""
"8105475","12.2403","0.0014","12.2403","0.0014","12.2403","0.0014","90","","90","","90","","1833.9","0.4","297","","297","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Al H27 O21 S2 -","- Al H27 O21 S2 -","- Al4 H108 O84 S8 -","4","0.166667","","Liu, Yan; Hao, Min; Gao, Jianfeng; Liu, Jianghui; Cui, Juan","The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1393","1394","10.1515/ncrs-2020-0332","","","0.71073","MoKα","","0.0517","0.0507","","","0.1447","0.1458","","","","","","1.113","","","","has coordinates,has disorder","276181","2022-06-23","09:05:41",""
"8105476","32.8001","0.0004","7.1562","0.0001","26.04","0.0003","90","","94.385","0.001","90","","6094.32","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 K N6 O2 S2 -","- C35 H30 K N6 O2 S2 -","- C280 H240 K8 N48 O16 S16 -","8","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of catena{(μ2-1,10-phenanthroline-κ4 N,N,N′,N′)-(μ2-1,10-phenanthroline-κ3 N,N,N′)potassium(I) {[bis(2-hydroxyethyl)iminiumyl](sulfanidyl)methyl}sulfanide hemi(1,10-phenanthroline)}, {C24H16KN4, 0.5(C12H8N2), C5H10NO2S2}","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1395","1397","10.1515/ncrs-2020-0333","","","1.54184","CuKα","","0.032","0.0315","","","0.0908","0.0911","","","","","","1.074","","","","has coordinates","276182","2022-06-23","09:08:47",""
"8105477","12.7694","0.0001","9.7283","0.0001","21.564","0.0002","90","","97.978","0.001","90","","2652.85","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl N S2 Sn -","- C25 H36 Cl N S2 Sn -","- C100 H144 Cl4 N4 S8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-[(N,N-di-isobutyl)dithiocarbamato-κ2 S,S′]-di(4-methylbenzyl-κC)tin(IV), C25H36ClNS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1399","1401","10.1515/ncrs-2020-0334","","","1.54184","CuKα","","0.0169","0.0167","","","0.0442","0.0444","","","","","","1.023","","","","has coordinates","276183","2022-06-23","09:11:22",""
"8105478","7.4069","0.0007","13.2451","0.0012","32.141","0.003","90","","93.924","0.002","90","","3145.8","0.5","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl2 F6 N3 P Rh -","- C31 H29 Cl2 F6 N3 P Rh -","- C124 H116 Cl8 F24 N12 P4 Rh4 -","4","1","","Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.","Crystal structure of chlorido-(η 5-pentamethylcyclopentadienyl)-(4-chloro-4-pyridyl-2,2′:6′,2′′-terpyridine-κ2N,N′) rhodium(III) hexaflourophosphate, C31H29Cl2F6N3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1403","1405","10.1515/ncrs-2020-0337","","","0.71073","MoKα","","0.053","0.0386","","","0.089","0.0962","","","","","","1.032","","","","has coordinates,has disorder","276184","2022-06-23","09:16:35",""
"8105479","13.4851","0.0013","12.3808","0.0012","13.2151","0.0013","90","","97.304","0.001","90","","2188.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-?^2^<i>N</i>^1^:<i>O</i>^1^)- (μ~2~-1,4-bis(1-imidazolyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3^)copper(II)]","","- C16 H10 Cu N14 O8 -","- C16 H10 Cu N14 O8 -","- C64 H40 Cu4 N56 O32 -","4","0.5","","Yajin, Li; Wuxi, Xie; Kuanguang, Song; Yu, Zhao","The crystal structure of catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-κ2 N:O)-(μ2-1,4-bis(1-imidazolyl)benzene-κ2 N:N′)copper(II)], C16H10CuN14O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1407","1408","10.1515/ncrs-2020-0338","","","0.71073","MoKα","","0.036","0.031","","","0.1063","0.1127","","","","","","0.928","","","","has coordinates","276185","2022-06-23","09:20:06",""
"8105480","10.789","0.004","48.885","0.018","15.205","0.004","90","","124.604","0.019","90","","6601","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 Co3 N6 O20 -","- C78 H54 Co3 N6 O20 -","- C312 H216 Co12 N24 O80 -","4","1","","Li, Pei-xuan; Hui, Wei","Crystal structure of poly[triaqua-bis(μ3-3,3′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato)-tris(1,10-phenanthroline)cobalt(II)], C78H46N6O20Co3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1409","1411","10.1515/ncrs-2020-0339","","","0.71073","MoKα","","0.0801","0.0539","","","0.1123","0.1205","","","","","","1.03","","","","has coordinates","276186","2022-06-23","09:22:53",""
"8105481","7.4217","0.0018","7.7021","0.0018","15.362","0.004","79.223","0.002","82.086","0.003","65.182","0.002","781.2","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C30 H36 N4 O12 -","2","1","","Dai, Bencai; Zhou, Yang; Chen, Jin; Liu, Changchun; Shen, Zhihao; Tang, Junming","The crystal structure of 2,4-dihydroxybenzoic acid–nicotinamide–methanol (1/1/1), C15H18N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1413","1415","10.1515/ncrs-2020-0341","","","0.71073","MoKα","","0.0573","0.0444","","","0.1224","0.1341","","","","","","1.06","","","","has coordinates,has disorder","276187","2022-06-23","09:26:02",""
"8105482","12.096","0.002","12.916","0.0002","16.5904","0.0007","101.163","0.002","110.634","0.002","100.698","0.002","2287","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 N10 O7 Pb -","- C44 H54 N10 O7 Pb -","- C88 H108 N20 O14 Pb2 -","2","1","","Li, Ji; Miao, Ming-Zhi","The crystal structure of aqua{N,N,N′,N′-tetrakis[(1H-benzimidazol-κN 3) methyl]cyclohexane-1,2-diamine}lead(II) diacetate–methanol (1/2), C44H54N10O7Pb","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1417","1420","10.1515/ncrs-2020-0343","","","0.71073","MoKα","","0.0691","0.0604","","","0.1352","0.1409","","","","","","1.091","","","","has coordinates","276188","2022-06-23","09:30:21",""
"8105483","5.0083","0.0002","9.7548","0.0003","31.964","0.001","90","","92.576","0.002","90","","1560.02","0.09","373","2","373","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br Cl I N O2 -","- C15 H10 Br Cl I N O2 -","- C60 H40 Br4 Cl4 I4 N4 O8 -","4","1","","Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of (2-amino-5-bromo-3-iodophenyl)(3-(4-chlorophenyl)oxiran-2-yl)methanone, C15H10BrClINO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1421","1423","10.1515/ncrs-2020-0346","","x-ray","0.71073","MoKα","","0.0498","0.0416","","","0.1013","0.1059","","","","","","1.074","","","","has coordinates,has disorder","276189","2022-06-23","09:33:36",""
"8105484","10.713","0.002","15.689","0.003","24.485","0.005","90","","90","","90","","4115.3","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-octyl-5,5-diphenylimidazolidine-2,4-dione","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C184 H224 N16 O16 -","8","1","","Guerrab, Walid; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 3-octyl-5,5-diphenylimidazolidine-2,4-dione, C23H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1425","1427","10.1515/ncrs-2020-0347","","","0.71073","MoKα","","0.0819","0.0581","","","0.1584","0.1734","","","","","","1.079","","","","has coordinates,has disorder","276190","2022-06-23","09:36:17",""
"8105485","5.034","0.0002","21.1023","0.0009","9.288","0.0004","90","","94.909","0.001","90","","983.04","0.07","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-azido-N-(4-nitrophenyl)acetamide","","- C8 H7 N5 O3 -","- C8 H7 N5 O3 -","- C32 H28 N20 O12 -","4","1","","Missioui, Mohcine; Guerrab, Walid; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 2-azido-N-(4-nitrophenyl)acetamide, C8H7N5O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1429","1430","10.1515/ncrs-2020-0348","","","0.71073","MoKα","","0.0601","0.047","","","0.14","0.1496","","","","","","1.085","","","","has coordinates","276191","2022-06-23","09:39:02",""
"8105486","6.0479","0.0009","9.7032","0.001","14.711","0.002","90","","94.174","0.009","90","","861","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C34 H46 N2 O10 -","2","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Correia, Carlos Roque D.; Tiekink, Edward R.T.","Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1431","1433","10.1515/ncrs-2020-0349","","","0.71073","MoKα","","0.1245","0.044","","","0.1141","0.1436","","","","","","0.893","","","","has coordinates","276192","2022-06-23","09:42:23",""
"8105487","4.8835","0.0004","9.2111","0.0007","14.6655","0.0007","76.135","0.005","82.693","0.006","87.379","0.007","635.19","0.08","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C24 H28 N4 O12 -","2","1","","Hanifa, Bibi; Sirajuddin, Muhammad; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(4-methoxy-2-nitrophenyl)carbamoyl]butanoic acid, C12H14N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1435","1437","10.1515/ncrs-2020-0350","","","1.54184","CuKα","","0.0507","0.0449","","","0.1229","0.1297","","","","","","1.043","","","","has coordinates","276218","2022-06-24","06:52:48",""
"8105488","11.9612","0.0005","8.1215","0.0003","27.5865","0.0012","90","","90","","90","","2679.83","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C96 H120 N24 S8 -","8","1","","Tan, Ming Yueh; Ho, Sheng Zhou; Tan, Kong Wai; Tiekink, Edward R.T.","Crystal structure of 3-ethyl-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, C12H15N3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1439","1441","10.1515/ncrs-2020-0351","","","1.54184","CuKα","","0.063","0.052","","","0.1395","0.1514","","","","","","1.037","","","","has coordinates","276219","2022-06-24","06:58:33",""
"8105489","12.619","0.002","8.4948","0.0012","13.954","0.002","90","","90.588","0.003","90","","1495.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O9 P3 Zn -","- C11 H11 N O9 P3 Zn -","- C44 H44 N4 O36 P12 Zn4 -","4","1","","Sun, Yabin; Chen, Yan; Wang, Daguang","Crystal structure of 4,4′-bipyridin-1,1′-dium poly[bis(μ4-benzene-1,3,5-triyltris(hydrogen phosphonato-κ4 O:O′:O′′:O′′′))zinc(II)], C11H11NO9P3Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1443","1444","10.1515/ncrs-2020-0352","","","0.71073","MoKα","","0.0609","0.0413","","","0.0873","0.0965","","","","","","1.036","","","","has coordinates","276220","2022-06-24","07:02:54",""
"8105490","8.8035","0.0002","11.4764","0.0003","21.2293","0.0006","83.55","0.002","82.256","0.002","83.793","0.002","2102.4","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C88 H84 Au4 F4 N4 O4 P4 S4 -","2","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)butane-κ2 P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]-di-gold(I), C44H42Au2F2N2O2P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1445","1448","10.1515/ncrs-2020-0353","","","0.71073","MoKα","","0.0344","0.0268","","","0.0543","0.0577","","","","","","1.038","","","","has coordinates,has disorder","276221","2022-06-24","07:07:06",""
"8105491","8.2496","0.0003","11.4366","0.0004","12.9504","0.0004","109.171","0.003","92.496","0.003","100.208","0.003","1128.98","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H46 Au2 F2 N2 O2 P2 S2 -","- C46 H46 Au2 F2 N2 O2 P2 S2 -","- C46 H46 Au2 F2 N2 O2 P2 S2 -","1","0.5","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)hexane-κ2 P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]digold(I), C46H46Au2F2N2O2P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1449","1451","10.1515/ncrs-2020-0354","","","0.71073","MoKα","","0.028","0.0246","","","0.0535","0.056","","","","","","1.013","","","","has coordinates,has disorder","276222","2022-06-24","07:11:42",""
"8105492","7.82927","0.00004","11.64209","0.00005","26.2493","0.0001","90","","95.6985","0.0004","90","","2380.77","0.018","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cd2 N6 O4 S8 -","- C36 H58 Cd2 N6 O4 S8 -","- C72 H116 Cd4 N12 O8 S16 -","2","0.5","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of tetrakis (N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κS,S′)-(μ2(2-(pyridin-4-yl)vinyl)pyridine-κN,N′)dicadmium(II), C36H58Cd2N6O4S8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1453","1456","10.1515/ncrs-2020-0355","","","1.54184","CuKα","","0.0163","0.0158","","","0.0408","0.0411","","","","","","1.054","","","","has coordinates","276223","2022-06-24","07:14:55",""
"8105493","8.2091","0.0009","13.9215","0.0016","16.528","0.0019","90","","94.067","0.001","90","","1884.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F6 N2 S -","- C20 H12 F6 N2 S -","- C80 H48 F24 N8 S4 -","4","1","","Li, Ying","Crystal structure of 4-(2-(benzo[b]thiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile, C20H12F6N2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1457","1459","10.1515/ncrs-2020-0357","","","0.71073","MoKα","","0.0499","0.0421","","","0.1147","0.1226","","","","","","1.035","","","","has coordinates,has disorder","276224","2022-06-24","07:17:56",""
"8105494","13.6087","0.0003","7.4645","0.0002","21.7967","0.0006","90","","104.322","0.0009","90","","2145.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Bi Cl5 N2 -","- C14 H28 Bi Cl5 N2 -","- C56 H112 Bi4 Cl20 N8 -","4","1","","Ma, Yuxin; Hao, Munan; Zhong, Xin; Zhou, Junyan; Zhang, Zeyu; Jin, Shifeng; Zhao, Changchun","Crystal structure of bis(octahydrocyclopenta[c]pyrrolium)pentachlorobismuthate(III), (C7NH14)2BiCl5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1461","1462","10.1515/ncrs-2020-0358","","","0.71073","MoKα","","0.0242","0.0205","","","0.0511","0.0528","","","","","","1.025","","","","has coordinates","276225","2022-06-24","07:21:42",""
"8105495","23.625","0.003","11.6837","0.0012","11.9293","0.0012","90","","94.646","0.001","90","","3282","0.6","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","The crystal structure of diaqua-tris(nitrato-κ^2^<i>O</i>,<i>O</i>') -bis(4,4,5,5-tetramethyl-2-(<i>p</i>-pyridyl)imidazoline-1-oxyl 3-oxide-κ<i>N</i>)samarium(III), C~24~H~36~N~9~O~15~Sm","","- C24 H36 N9 O15 Sm -","- C24 H36 N9 O15 Sm -","- C96 H144 N36 O60 Sm4 -","4","0.5","","Li, Dongjiao","The crystal structure of diaqua-tris(nitrato-κ2 O,O′)-bis(4,4,5,5-tetramethyl-2-(p-pyridyl)imidazoline-1-oxyl 3-oxide-κN)samarium(III), C24H36N9O15Sm","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1463","1464","10.1515/ncrs-2020-0359","","","0.71073","MoKα","","0.0192","0.0173","","","0.0444","0.0449","","","","","","1.069","","","","has coordinates","276226","2022-06-24","07:25:36",""
"8105496","7.5845","0.0004","14.7024","0.0005","18.1433","0.0006","90","","98.753","0.004","90","","1999.6","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Li, Wu-Wu; Liu, Xiong-Li","Synthesis and crystal structure of methyl 2-(2-((tert-butoxycarbonyl)amino)phenyl)-2-(4-oxo-4H-chromen-3-yl)acetate, C23H23NO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1465","1467","10.1515/ncrs-2020-0360","","","0.71073","MoKα","","0.0478","0.0389","","","0.0904","0.0965","","","","","","1.03","","","","has coordinates","276227","2022-06-24","07:29:45",""
"8105497","8.6849","0.001","18.74","0.002","10.0465","0.0012","90","","112.845","0.003","90","","1506.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C56 H76 N4 O8 S4 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Alvarez, Heiddy Márquez; Tiekink, Edward R.T.","Crystal structure of O-hexyl benzoylcarbamothioate, C14H19NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1469","1471","10.1515/ncrs-2020-0361","","","0.71073","MoKα","","0.1161","0.0685","","","0.1708","0.2023","","","","","","1.04","","","","has coordinates","276228","2022-06-24","07:32:19",""
"8105498","10.252","0.0003","13.2252","0.0004","14.9378","0.0003","78.424","0.002","78.388","0.002","84.534","0.003","1940.35","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H39 Ag Cl N O P2 S -","- C44 H39 Ag Cl N O P2 S -","- C88 H78 Ag2 Cl2 N2 O2 P4 S2 -","2","1","","Yeo, Chien Ing; Teow, Sin-Yeang; Liew, Li Yuan; Chew, Jactty; Tiekink, Edward R.T.","Crystal structure of chlorido-(O-methyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)silver(I), C44H39AgClNOP2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1473","1475","10.1515/ncrs-2020-0362","","","0.71073","MoKα","","0.0575","0.0382","","","0.073","0.0807","","","","","","1.017","","","","has coordinates","276229","2022-06-24","07:36:12",""
"8105499","10.193","0.0003","18.3087","0.0006","21.3088","0.0006","90","","94.516","0.003","90","","3964.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Ag Cl N O P2 S -","- C45 H41 Ag Cl N O P2 S -","- C180 H164 Ag4 Cl4 N4 O4 P8 S4 -","4","1","","Yeo, Chien Ing; Liew, Li Yuan; Chew, Jactty; Teow, Sin-Yeang; Tiekink, Edward R.T.","Crystal structure of chlorido-(O-ethyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)-silver(I), C45H41AgClNOP2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1477","1480","10.1515/ncrs-2020-0363","","","0.71073","MoKα","","0.0509","0.0353","","","0.071","0.081","","","","","","1.016","","","","has coordinates","276230","2022-06-24","07:39:34",""
"8105500","7.4325","0.0003","7.5171","0.0003","23.7377","0.0009","87.78","0.003","89.105","0.003","61.299","0.004","1162.42","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","2","","Hanifa, Bibi; Sirajuddin, Muhammad; Khan, Hizbullah; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(2-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1481","1483","10.1515/ncrs-2020-0364","","","1.54184","CuKα","","0.0626","0.0566","","","0.1618","0.1652","","","","","","1.136","","","","has coordinates","276231","2022-06-24","07:43:48",""
"8105501","6.7876","0.0002","8.8984","0.0002","22.3399","0.0006","90","","90","","90","","1349.3","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Rodrigues, Alessandro; Vinhato, Elisângela; Olivato, Paulo R.; Tiekink, Edward R.T.","Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1485","1487","10.1515/ncrs-2020-0365","","","0.71073","MoKα","","0.0447","0.0384","","","0.0898","0.0947","","","","","","1.084","","","","has coordinates","276232","2022-06-24","07:47:06",""
"8105502","7.3428","0.0015","11.272","0.002","12.764","0.004","90","","118.73","0.02","90","","926.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cd N2 O7 -","- C6 H8 Cd N2 O7 -","- C24 H32 Cd4 N8 O28 -","4","1","","Huang, Xiao-Ying; Sun, Shu-Xiang; Wang, Chuan-Qi; Yao, Pei","Crystal structure of catena-poly[diaqua(μ2-2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylato)cadmium(II)], C6H8CdN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1489","1491","10.1515/ncrs-2020-0366","","","0.71073","MoKα","","0.0271","0.0261","","","0.0603","0.0609","","","","","","1.131","","","","has coordinates","276233","2022-06-24","07:49:45",""
"8105503","7.5992","0.0003","9.6634","0.0005","34.7499","0.0018","90","","90","","90","","2551.8","0.2","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Cl N O5 -","- C24 H46 Cl N O5 -","- C96 H184 Cl4 N4 O20 -","4","1","","Ning, Xue-Jing; Yang, Xiao-Bin; Du, Jiang","Crystal structure of (1S)-N-(chloromethyl)-1-((4S,6aR,8aS, 8bR,9aR)-4-methoxy-6a,8a-dimethyl-1,3,4, 5,6,6a,6b,7,8,8a,9a,10,10a,10b-tetradecahydro-8bH-naphtho[2′,1′:4,5] indeno[1,2-b]oxiren-8b-yl)-N-methylethan-1-amine, C24H46ClNO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1493","1494","10.1515/ncrs-2020-0367","","","0.71073","MoKα","","0.0822","0.0554","","","0.1306","0.1479","","","","","","1.06","","","","has coordinates","276234","2022-06-24","07:53:13",""
"8105504","17.2336","0.0003","4.9604","0.0001","14.3696","0.0003","90","","100.97","0.002","90","","1205.95","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 N O3 -","- C11 H11 Cl2 N O3 -","- C44 H44 Cl8 N4 O12 -","4","1","","Hanifa, Bibi; Sirajuddin, Muhammad; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(3,5-dichlorophenyl)carbamoyl]butanoic acid, C11H11Cl2NO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1495","1497","10.1515/ncrs-2020-0368","","","1.54184","CuKα","","0.0356","0.0313","","","0.0817","0.0848","","","","","","1.062","","","","has coordinates","276235","2022-06-24","07:55:53",""
"8105505","6.9017","0.0004","6.9496","0.0002","11.2372","0.0007","88.218","0.004","76.489","0.005","77.575","0.004","511.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C22 H16 N8 O4 -","2","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (2Z)-2-amino-3-[(E)-[(2,4-dihydroxyphenyl)methylidene]-amino]but-2-enedinitrile, C11H8N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1499","1501","10.1515/ncrs-2020-0369","","","1.54184","CuKα","","0.0463","0.0417","","","0.115","0.12","","","","","","1.046","","","","has coordinates","276236","2022-06-24","08:16:46",""
"8105506","9.3084","0.0019","7.9523","0.0016","16.905","0.003","90","","92.26","0.03","90","","1250.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N3 S -","- C12 H17 N3 S -","- C48 H68 N12 S4 -","4","1","","Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.","Crystal structure of 3-methyl-1-[(E)-(4-phenylbutan-2-ylidene)amino]thiourea, C12H17N3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1503","1505","10.1515/ncrs-2020-0371","","","1.5418","CuKα","","0.0357","0.033","","","0.0889","0.0914","","","","","","1.053","","","","has coordinates","276237","2022-06-24","08:20:35",""
"8105507","11.506","0.003","16.122","0.003","15.805","0.003","90","","99.433","0.003","90","","2892.2","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 B Cu N6 O -","- C31 H28 B Cu N6 O -","- C124 H112 B4 Cu4 N24 O4 -","4","1","","Fujisawa, Kiyoshi; Yabe, Makoto; Tiekink, Edward R.T.","Crystal structure of carbonyl{hydridotris[3-phenyl-5-methylpyrazol-1-yl]borato-κ3 N,N′N′′}copper(I), C31H28BCuN6O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1507","1509","10.1515/ncrs-2020-0372","","","0.71075","MoKα","","0.0686","0.0501","","","0.1164","0.126","","","","","","1.111","","","","has coordinates","276238","2022-06-24","08:23:52",""
"8105508","12.8582","0.0001","12.4664","0.0001","15.4358","0.0001","90","","95.738","0.001","90","","2461.89","0.03","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 O6 P2 -","- C26 H28 O6 P2 -","- C104 H112 O24 P8 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of ethane-1,2-diylbis(diphenylphosphine oxide) – dihydrogenperoxide (1/2), C26H28O6P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1511","1513","10.1515/ncrs-2020-0373","","","1.54184","CuKα","","0.0301","0.0296","","","0.0804","0.0809","","","","","","1.062","","","","has coordinates","276239","2022-06-24","08:28:54",""
"8105509","10.2029","0.0002","10.6071","0.0002","12.1389","0.0003","71.395","0.002","82.665","0.002","73.34","0.002","1191.84","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cl3 N3 Sn -","- C24 H24 Cl3 N3 Sn -","- C48 H48 Cl6 N6 Sn2 -","2","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 2-(pyridin-2-ylamino)pyridinium chloride dibenzyldichlorostannane, [C10H10N3]Cl, C14H14Cl2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1515","1517","10.1515/ncrs-2020-0375","","","1.54184","CuKα","","0.0184","0.0175","","","0.0441","0.0447","","","","","","1.019","","","","has coordinates","276240","2022-06-24","08:32:37",""
"8105510","5.0167","0.0002","7.9264","0.0005","15.2073","0.0007","98.909","0.004","92.06","0.004","101.8","0.004","583.36","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C24 H30 N2 O8 -","2","1","","Sirajuddin, Muhammad; Hanifa, Bibi; Ullah, Sharif; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(3-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1519","1521","10.1515/ncrs-2020-0376","","","1.54184","CuKα","","0.0488","0.0403","","","0.1053","0.1179","","","","","","1.093","","","","has coordinates","276241","2022-06-24","08:35:37",""
"8105511","10.636","0.0002","10.8406","0.0002","12.5727","0.0002","94.152","0.001","107.195","0.002","112.549","0.002","1250.31","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Cl4 O2 P2 Sn -","- C54 H50 Cl4 O2 P2 Sn -","- C54 H50 Cl4 O2 P2 Sn -","1","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of dichlorido-bis(tri-4-tolylphosphane oxide-κO)-di(4-chlorophenyl-κC)tin(IV), C54H50Cl4O2P2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1523","1525","10.1515/ncrs-2020-0377","","","1.54184","CuKα","","0.0195","0.0194","","","0.0529","0.0529","","","","","","1.031","","","","has coordinates","276242","2022-06-24","09:27:31",""
"8105512","17.8312","0.0001","12.0291","0.0001","18.5895","0.0001","90","","90","","90","","3987.32","0.05","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cl2 O2 P2 Sn -","- C44 H48 Cl2 O2 P2 Sn -","- C176 H192 Cl8 O8 P8 Sn4 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of dichloridodimethylbis(tri-4-tolylphosphane oxide-κO)-tin(IV), C44H48Cl2O2P2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1527","1529","10.1515/ncrs-2020-0378","","","1.54184","CuKα","","0.0205","0.0196","","","0.0557","0.0564","","","","","","1.02","","","","has coordinates","276243","2022-06-24","09:30:45",""
"8105513","13.7584","0.0001","13.5542","0.0001","13.0912","0.0001","90","","115.778","0.001","90","","2198.36","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl N O Sn -","- C24 H22 Cl N O Sn -","- C96 H88 Cl4 N4 O4 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chlorido(2-methylquinolin-8-olato-κ2 N,O)-bis(4-tolyl-κC)tin(IV), C24H22ClNOSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1531","1533","10.1515/ncrs-2020-0379","","","1.54184","CuKα","","0.0175","0.017","","","0.0445","0.0448","","","","","","1.043","","","","has coordinates","276244","2022-06-24","09:33:35",""
"8105514","11.0098","0.0008","16.471","0.001","8.4975","0.0007","90","","99.421","0.007","90","","1520.17","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl3 O2 Te -","- C11 H13 Cl3 O2 Te -","- C44 H52 Cl12 O8 Te4 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Cunha, Rodrigo L.O.R.; Tiekink, Edward R.T.","Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1535","1537","10.1515/ncrs-2020-0380","","","0.71073","MoKα","","0.0456","0.0306","","","0.0799","0.0852","","","","","","1.091","","","","has coordinates","276245","2022-06-24","09:36:09",""
"8105515","9.1777","0.0005","12.3828","0.0007","13.3137","0.0007","102.157","0.005","101.395","0.004","100.771","0.004","1408.14","0.14","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N6 O2 S2 Zn -","- C26 H36 N6 O2 S2 Zn -","- C52 H72 N12 O4 S4 Zn2 -","2","1","","Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.","Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1539","1541","10.1515/ncrs-2020-0381","","","0.71073","MoKα","","0.0761","0.0489","","","0.0989","0.1147","","","","","","1.031","","","","has coordinates","276246","2022-06-24","09:38:38",""
"8105516","11.5623","0.0009","11.5732","0.0012","13.4379","0.0011","82.003","0.008","77.597","0.007","76.048","0.008","1697.1","0.3","286.4","0.1","286.4","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Co N4 O9 -","- C40 H24 Co N4 O9 -","- C80 H48 Co2 N8 O18 -","2","1","","Luo, Jie; Gu, Guang-Na; Wang, Xiao-Wei","Crystal structure of (2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2 O,O′)bis(1,10-phenantroline-κ2 N,N′)cobalt(II), C40H24N4O9Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1543","1545","10.1515/ncrs-2020-0383","","x-ray","0.71073","MoKα","","0.0665","0.0462","","","0.094","0.1021","","","","","","1.045","","","","has coordinates","276247","2022-06-24","09:41:10",""
"8105517","11.816","0.002","7.4064","0.0015","17.101","0.003","90","","97.01","0.03","90","","1485.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O5 -","- C32 H52 O5 -","- C64 H104 O10 -","2","1","","Liu, Li; Wang, Hui-yun; Zhou, Xia; Zhang, Sheng-Nan; Chen, Xiao-Qian; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (3S,8R,10R,14R)-17-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H52O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1547","1549","10.1515/ncrs-2020-0384","","","0.71073","MoKα","","0.0572","0.0543","","","0.1426","0.1501","","","","","","1.077","","","","has coordinates","276248","2022-06-24","09:43:55",""
"8105518","8.3276","0.0001","13.1116","0.0001","13.5547","0.0001","110.309","0.001","103.132","0.001","105.601","0.001","1249.87","0.03","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C51 H43 Au2 Cl3 F2 Fe N2 O2 P2 S2 -","- C51 H43 Au2 Cl3 F2 Fe N2 O2 P2 S2 -","- C51 H43 Au2 Cl3 F2 Fe N2 O2 P2 S2 -","1","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-κ2 P,P′)-bis[(Z)N-(3-fluorophenyl)-O-methylthiocarbamato-S]digold(I) chloroform solvate, C50H42Au2F2FeN2O2P2S2, CHCl3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1551","1553","10.1515/ncrs-2020-0386","","","1.54184","CuKα","","0.0154","0.0153","","","0.0387","0.0387","","","","","","1.097","","","","has coordinates,has disorder","276249","2022-06-24","09:46:38",""
"8105519","19.3535","0.0007","10.087","0.0004","12.4174","0.0005","90","","97.37","0.001","90","","2404.08","0.16","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[(<i>μ</i>~2~-molybdato-<i>κ</i>^2^<i>O</i>:<i>O</i>\υ008242)-\ di(<i>μ</i>~2~-1,4-di(1H-imidazol-1-yl)benzene-<i>κ</i>^2^<i>N</i>:\ <i>N</i>\υ008242)-cobalt (II)]","","- C24 H20 Co Mo N8 O4 -","- C24 H20 Co Mo N8 O4 -","- C96 H80 Co4 Mo4 N32 O16 -","4","0.5","","Zhou, Cheng-Yong; Du, Yu-Jie; Su, Feng; Zhang, Bao-Xiu; Li, Shao-Dong","Crystal structure of poly[bis(μ2-1,4-di(1H-imidazol-1-yl)benzene-κ2 N:N′)-(μ2-tetraoxidomolybdato(VI)-κ2 O:O′)cobalt(II)], C24H20N8O4MoCo","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1555","1557","10.1515/ncrs-2020-0388","","","0.71073","MoKα","","0.0246","0.0218","","","0.0561","0.0577","","","","","","1.099","","","","has coordinates","276250","2022-06-24","09:49:21",""
"9017147","12.203","","12.203","","12.203","","90","","90","","90","","1817.19","","","","","","","","","","","","Fornovolasco mine, Apuan Alps, Italy","7","P a -3","-P 2ac 2ab 3","205","","","Alum-(K)","- Al0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121 -","- Al0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121 -","- Al3.508 Fe0.492 H96 K3.516 O80 S8 Tl0.484 -","4","0.166667","","Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex","American Mineralogist","2020","105","","1088","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017148","27.2635","","27.2635","","27.2635","","90","","90","","90","","20264.9","","","","","","","","","","","","Fornovolasco mine, Apuan Alps, Italy","8","F d -3 c :2","-F 4ud 2vw 3","228","","","Voltaite","- Al Fe6.44 H24 K1.872 Mg1.56 O66 S12 Tl0.128 -","- Al Fe6.44 H24 K1.872 Mg1.56 O66 S12 Tl0.128 -","- Al16 Fe103.04 H384 K29.952 Mg24.96 O1056 S192 Tl2.048 -","16","0.0833333","","Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex","American Mineralogist","2020","105","","1088","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017284","9.448","","18.3183","","17.9825","","90","","92.274","","90","","3109.8","","","","100","","","","","","","","the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","5","P 1 21/c 1","-P 2ybc","14","","","Giacovazzoite","- Fe3 H17 K5 O35 S6 -","- Fe3 H17 K5 O35 S6 -","- Fe12 H68 K20 O140 S24 -","4","1","","Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the ß-Maus's salt and its dehydration product Note: T = 100 K","Physics and Chemistry of Minerals","2020","47","","","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017285","9.3434","","18.1838","","17.7702","","90","","96.381","","90","","3000.43","","","","","","","","","","","","the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","5","P 1 21/c 1","-P 2ybc","14","","","Giacovazzoite","- Fe3 H8 K5 O31.52 S6 -","- Fe3 H8 K5 O31.52 S6 -","- Fe12 H32 K20 O126.08 S24 -","4","1","","Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt and its dehydration product Note: this is the dehydration product","Physics and Chemistry of Minerals","2020","47","","","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017286","10.637","","22.797","","5.4136","","90","","90","","90","","1312.75","","","","","","","","","","","","Blue Bell mine, California, USA","3","P n m a","-P 2ac 2n","62","","","Pingguite","- Bi6 O15 Te2 -","- Bi24 O60 Te8 -","- Bi24 O60 Te8 -","","","","Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.","Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite","Physics and Chemistry of Minerals","2020","47","","","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:52",""
"9017287","10.61155","","22.74458","","5.399038","","90","","90","","90","","1303.09","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Pingguite","- Bi5 O16 Te -","- Bi24 O60 Te8 -","- Bi24 O60 Te8 -","","","","Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.","Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite","Physics and Chemistry of Minerals","2020","47","","","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","287967","2023-12-04","09:19:23",""
"9017476","6.18","","23.583","","6.54","","94.14","","101.68","","96.35","","923.305","","","","","","","","","","","","Tierra Amarilla, Chile","4","P -1","-P 1","2","","","Quenstedtite","- Fe2 H22 O23 S3 -","- Fe4 H44 O46 S6 -","- Fe4 H44 O46 S6 -","","","","Mereiter, K.","Experimental crystal structure determination","ICSD Communications","2020","2020","","","","10.25505/fiz.icsd.cc25lg8j","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:01",""
"9017718","24.038","","7.444","","10.387","","90","","90","","90","","1858.64","","","","","","","","","","","","Alcantarilla mine, Cordoba, Andalusia, Spain","7","I m m a","-I 2b 2","74","","","Alcantarillaite","- As3.44 Ca0.68 Fe3.066 H8.352 O19.356 P0.48 W0.448 -","- As3.44 Ca0.68 Fe3.066 H8.352 O19.356 P0.48 W0.448 -","- As13.76 Ca2.72 Fe12.264 H33.408 O77.424 P1.92 W1.792 -","4","0.25","","Grey, I. E.; Hochleitner, R.; Rewitzer, C.; Riboldi-Tunnicliffe A; Kampf, A. R.; MacRae, C. M.; Mumme, W. G.; Kaliwoda, M.; Friis, H.; Martin, C. U.","The walentaite group and the description of a new member, alcantarillaite, from the Alcantarilla mine, Belalcazar, Cordoba, Andalusia, Spain","Mineralogical Magazine","2020","84","","412","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017719","7.298","","6.588","","7.84","","90","","117.15","","90","","335.408","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka Peninsula, Russia","3","P 1 21/m 1","-P 2yb","11","","","Glikinite","- O9 S2 Zn3 -","- O18 S4 Zn6 -","- O18 S4 Zn6 -","","","","Nazarchuk, E. V.; Siidra, O. I.; Nekrasova, D. O.; Shilovskikh, V. V.; Borisov, A. S.; Avdontseva, E. Y.","Glikinite, Zn3O(SO4)2, a new anhydrous zinc oxysulfate mineral structurally based on OZn4 tetrahedra","Mineralogical Magazine","2020","84","","563","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:17",""
"9017720","15.3994","","17.6598","","7.80827","","90","","90","","90","","2123.46","","","","373.15","","","","","","","","Cap Garonne, France","4","P n m a","-P 2ac 2n","62","","","Bulachite","- Al2 As H7 O9 -","- Al2 As H7 O9 -","- Al24 As12 H84 O108 -","12","1.5","","Grey, I. E.; Yoruk, E.; Kodjikian, S.; Klein, H.; Bougerol, C.; Brand, H. E. A.; Bordet, P.; Mumme, W. G.; Favreau, G.; Mills, S. J.","Bulachite, [Al6(AsO4)3(OH)9(H2O)4]*2H2O from Cap Garonne, France: Crystal structure and formation from a higher hydrate Note: T = 100 C","Mineralogical Magazine","2020","84","","608","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017721","6.807","","5.897","","20.653","","90","","90","","90","","829.03","","","","","","","","","","","","Lagoscuro mine, Italy","4","P m n 21","P 2ac -2","31","","","Isselite","- Cu6 H20 O19 S -","- Cu6 H20 O19 S -","- Cu12 H40 O38 S2 -","2","0.5","","Biagioni, C.; Belmonte, D.; Carbone, C.; Cabella, R.; Demitri, N.; Perchiazzi, N.; Kampf, A. R.; Bosi, F.","Isselite, Cu6(SO4)(OH)10(H2O)4*H2O, a new mineral species from Eastern Liguria, Italy","Mineralogical Magazine","2020","84","","653","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017722","12.6153","","9.0264","","12.7166","","90","","108.311","","90","","1374.73","","","","","","","","","","","","Great Tolbachik fissure, Kamchatka Peninsula, Russia","7","P 1 21/c 1","-P 2ybc","14","","","Petrovite","- Ca0.47 Cu0.883 K0.1 Mg0.117 Na4.96 O16 S4 -","- Ca1.88 Cu3.532 K0.4 Mg0.468 Na19.84 O64 S16 -","- Ca1.88 Cu3.532 K0.4 Mg0.468 Na19.84 O64 S16 -","","","","Filatov, S. K.; Shablinskii, A. P.; Krivovichev, S. V.; Vergasova, L. P.; Moskaleva, S. V.","Petrovite, Na10CaCu2(SO4)8, a new fumarolic sulfate from the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","Mineralogical Magazine","2020","84","","691","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:17",""
"9017723","17.436","","17.436","","6.1295","","90","","90","","120","","1613.8","","","","","","","","","","","","Fallowfield mine, Northumberland, England","4","P 3 1 m","P 3 -2","157","","","Alstonite","- C2 Ba Ca O6 -","- C24 Ba12 Ca12 O72 -","- C24 Ba12 Ca12 O72 -","","","","Bindi, L.; Roberts, A. C.; Biagioni, C.","The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of 'hidden' complex twinning in large single crystals","Mineralogical Magazine","2020","84","","699","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017724","9.58711","","9.60888","","9.6467","","90","","103.446","","90","","864.308","","","","","","","","","","","","guano deposit at Pabellon de Pica, Iquique Province, Chile","6","P 1 21/n 1","-P 2yn","14","","","Ammoniotinsleyite","- Al2 H8.52 K0.12 N0.88 O11 P2 -","- Al2 H8.52 K0.12 N0.88 O11 P2 -","- Al8 H34.08 K0.48 N3.52 O44 P8 -","4","1","","Chukanov, N. V.; Möhn G; Pekov, I. V.; Zubkova, N. V.; Ksenofontov, D. A.; Belakovskiy, D. I.; Vozchikova, S. A.; Britvin, S. N.; Desor, J.","Ammoniotinsleyite, (NH4)Al2(PO4)2(OH)*2H2O, a new mineral species from the guano deposit at Pabellón de Pica, Iquique Province, Chile","Mineralogical Magazine","2020","84","","705","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017725","12.5077","","3.8034","","16.0517","","90","","94.19","","90","","761.567","","","","","","","","","","","","Vorontsovskoe gold deposit, Northern Urals, Russia","4","C 1 2/m 1","-C 2y","12","","","Luborzakite","- As4 Mn2 S10 Sb2 -","- As8 Mn4 S20 Sb4 -","- As8 Mn4 S20 Sb4 -","","","","Kasatkin, A. V.; Makovicky, E.; Plasil, J.; Skoda, R.; Agakhanov, A. A.; Stepanov, S. Y.; Palamarchuk, R. S.","Luborzakite, Mn2AsSbS5, a new member of pavonite homologous series from Vorontsovskoe gold deposit, Northern Urals, Russia","Mineralogical Magazine","2020","84","","738","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017726","7.3344","","7.387","","7.5255","","98.869","","102.566","","119.096","","331.19","","","","","","","","","","","","Kaarreoja River, Inari commune, Finnish Lapland, Finland","3","P -1","-P 1","2","","","Arsenopalladinite","- As5 Pd16 Sb -","- As5 Pd16 Sb -","- As5 Pd16 Sb -","","","","Karimova, O. V.; Zolotarev, A. A.; Johanson, B. S.; Evstigneeva, T. L.","The crystal structure of arsenopalladinite, Pd8As2.5Sb0.5, and its relation to mertieite-II, Pd8Sb2.5As0.5","Mineralogical Magazine","2020","84","","746","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017727","17.531","","18.555","","9.13","","90","","103.95","","90","","2882.28","","","","","","","","","","","","Markey mine, Utah, USA","4","P 1 21/m 1","-P 2yb","11","","","Pseudomarkeyite","- C12 Ca8 O65 U4 -","- C12 Ca8 O65 U4 -","- C24 Ca16 O130 U8 -","2","0.5","","Kampf, A. R.; Olds, T. A.; Plasil, J.; Burns, P. C.; Marty, J.","Natromarkeyite and pseudomarkeyite, two new calcium uranyl carbonate minerals from the Markey mine, San Juan County, Utah, USA","Mineralogical Magazine","2020","84","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017728","17.882","","18.303","","10.2249","","90","","90","","90","","3346.55","","","","","","","","","","","","Markey mine, Utah, USA","6","P m m n :2","-P 2ab 2a","59","","","Natromarkeyite","- C13 H42 Ca8 Na2 O74.148 U4 -","- C13 H42 Ca8 Na2 O74.148 U4 -","- C26 H84 Ca16 Na4 O148.296 U8 -","2","0.25","","Kampf, A. R.; Olds, T. A.; Plasil, J.; Burns, P. C.; Marty, J.","Natromarkeyite and pseudomarkeyite, two new calcium uranyl carbonate minerals from the Markey mine, San Juan County, Utah, USA","Mineralogical Magazine","2020","84","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017729","5.0275","","14.2668","","7.1663","","90","","105.123","","90","","496.211","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","7","C 1 2/m 1","-C 2y","12","","","Graeserite","- As0.968 Ba0.232 Fe2.654 O14 Pb0.089 Sb0.032 Ti4.346 -","- As1.936 Ba0.464 Fe5.308 O28 Pb0.1776 Sb0.064 Ti8.692 -","- As1.936 Ba0.464 Fe5.308 O28 Pb0.1776 Sb0.064 Ti8.692 -","","","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Halenius, U.; Zaccarini, F.","Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy: occurrence and crystal-chemistry Note: Sample G","Mineralogical Magazine","2020","84","","766","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017730","5.0225","","14.3114","","7.1743","","90","","104.878","","90","","498.393","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","C 1 2/m 1","-C 2y","12","","","Graeserite","- As0.69 Ba0.232 Fe0.94 O14 Sb0.31 Ti6.06 -","- As1.38 Ba0.464 Fe1.88 O28 Sb0.62 Ti12.12 -","- As1.38 Ba0.464 Fe1.88 O28 Sb0.62 Ti12.12 -","","","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Halenius, U.; Zaccarini, F.","Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy: occurrence and crystal-chemistry Note: Sample F","Mineralogical Magazine","2020","84","","766","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017731","7.169","","14.3515","","4.9867","","90","","104.82","","90","","495.994","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","P 1 21/m 1","-P 2yb","11","","","Derbylite","- Ba0.045 Fe3.928 H O14 Sb Ti3.072 -","- Ba0.0446 Fe3.928 H O14 Sb Ti3.072 -","- Ba0.0892 Fe7.856 H2 O28 Sb2 Ti6.144 -","2","0.5","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Halenius, U.; Zaccarini, F.","Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy: occurrence and crystal-chemistry","Mineralogical Magazine","2020","84","","766","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","283869","2023-05-18","18:03:01",""
"9017732","10.5456","","10.5456","","10.5456","","90","","90","","90","","1172.77","","","","","","","","","","","","Jabal Sayid, Saudi Arabia","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Hydroxyplumbopyrochlore","- Ca0.06 H0.61 Nb1.76 O6.61 Pb1.34 Ta0.12 Ti0.12 -","- Ca0.48 Nb14.08 O52.88 Pb10.72 Ta0.96 Ti0.96 -","- Ca0.48 Nb14.08 O52.88 Pb10.72 Ta0.96 Ti0.96 -","","","","Li, T.; Li, Z.; Fan, G.; Fan, H.; Zhong, J.; Jahdali, N. S.; Qin, M.; Jehani, A. M.; Wang, F.; Nahdi, M. M.","Hydroxyplumbopyrochlore, (Pb1.5,[]0.5)Nb2O6(OH), a new member of the pyrochlore group from Jabal Sayid, Saudi Arabia","Mineralogical Magazine","2020","84","","785","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017733","10.3673","","13.713","","4.842","","90","","105.992","","90","","661.732","","","","","","","","","","","","Monte Nero mine, Liguria, Italy","5","C 1 2/m 1","-C 2y","12","","","Monteneroite","- As2 Cu0.69 H16 Mn2.31 O16 -","- As4 Cu1.38 H32 Mn4.62 O32 -","- As4 Cu1.38 H32 Mn4.62 O32 -","","","","Kampf, A. R.; Plasil, J.; Nash, B. P.; Ciriotti, M. E.; Castellaro, F.; Chiappino, L.","Monteneroite, Cu2+Mn2+2(AsO4)2*8H2O, a new vivianite-structure mineral with ordered cations from the Monte Nero mine, Liguria, Italy","Mineralogical Magazine","2020","84","","881","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017734","16.5345","","10.04057","","24.6261","","90","","105.891","","90","","3932.08","","","","","","","","","","","","Palermo No. 1 mine, New Hampshire, USA","9","C 1 c 1","C -2yc","9","","","Manganoarrojadite-(KNa)","- Al Ca0.12 Fe9.1 K0.874 Mg1.1 Mn3.68 Na4.752 O50 P12 -","- Al4 Ca0.48 Fe36.4 K3.496 Mg4.4 Mn14.72 Na19.008 O200 P48 -","- Al4 Ca0.48 Fe36.4 K3.496 Mg4.4 Mn14.72 Na19.008 O200 P48 -","","","","Lykova, I.; Rowe, R.; Poirier, G.; Helwig, K.; Friis, H.","Manganoarrojadite-(KNa), KNa5MnFe13Al(PO4)11(PO3OH)(OH)2, a new arrojadite-group mineral from the Palermo No. 1 mine, New Hampshire, USA","Mineralogical Magazine","2020","84","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""
"9017754","9.416","","5.3","","10.893","","90","","91.77","","90","","543.354","","","","","","","","","","","","Lavrion Mining District, Greece","5","P 1 c 1","P -2yc","7","","","Stergiouite","- As2 Ca H8 O12 Zn2 -","- As4 Ca2 H16 O24 Zn4 -","- As4 Ca2 H16 O24 Zn4 -","","","","Rieck, B.; Giester, G.; Lengauer, C. L.; Chanmuang, N. C.; Topa, D.","Stergiouite, CaZn2(AsO4)2*4H2O - a new mineral from the Lavrion Mining District, Greece","Mineralogy and Petrology","2020","114","","319","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017755","9.9587","","18.2524","","5.3409","","90","","105.02","","90","","937.649","","","","","","","","","","","","Keshiketeng Banner, Inner Mongolia, China","12","C 1 2/m 1","-C 2y","12","","","Potassic-hastingsite","- Al2.148 Ca2.07 Cl0.86 Fe4.68 H1.14 K0.61 Mg0.06 Mn0.06 Na0.2 O23.14 Si5.972 Ti0.04 -","- Al2.148 Ca2.07 Cl0.86 Fe4.68 K0.61 Mg0.06 Mn0.06 Na0.2 O23.14 Si5.972 Ti0.04 -","- Al4.296 Ca4.14 Cl1.72 Fe9.36 K1.22 Mg0.12 Mn0.12 Na0.4 O46.28 Si11.944 Ti0.08 -","2","0.25","","Ren, G.; Li, G.; Shi, J.; Gu, X.; Fan, G.; Yu, A.; Liu, Q.; Shen, G.","Potassic-hastingsite, KCa2(Fe2+4Fe3+)(Si6Al2)O22(OH)2, from the Keshiketeng Banner, Inner Mongolia, China: description of the neotype and its implication","Mineralogy and Petrology","2020","114","","403","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""
"9017756","9.7856","","9.7856","","10.7582","","90","","90","","90","","1030.18","","","","","","","","","","","","Tsangli chromitites, Othrys ophiolite, Greece","6","I 4/m m m","-I 4 2","139","","","Arsenotucekite","- As0.65 Co1.08 Fe0.72 Ni16.2 S16 Sb3.35 -","- As1.3 Co2.16 Fe1.44 Ni32.4 S32 Sb6.7 -","- As1.3 Co2.16 Fe1.44 Ni32.4 S32 Sb6.7 -","","","","Zaccarini, F.; Luca Bindi, L.; Tsikouras, B.; Grammatikopoulos, T.; Stanley, C. J.; Garuti, G.","Arsenotucekite, Ni18Sb3AsS16, a new mineral from the Tsangli chromitites, Othrys ophiolite, Greece","Mineralogy and Petrology","2020","114","","435","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017757","5.0052","","7.9921","","13.5969","","90","","90","","90","","543.904","","","","","","","","","","","","Roter Bar mine, Harz Mountains, Germany","4","P 21 21 21","P 2ac 2ab","19","","","Roterbarite","- Bi Cu Pd Se3 -","- Bi4 Cu4 Pd4 Se12 -","- Bi4 Cu4 Pd4 Se12 -","","","","Vymazalova, A.; Cabral, A. R.; Laufek, F.; Liebmann, W.; Stanley, C. J.; Lehmann, B.","Roterbarite, PdCuBiSe3, a new mineral species from the Roter Bar mine, Harz Mountains, Germany","Mineralogy and Petrology","2020","114","","443","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017766","5.1546","","8.9425","","7.4033","","91.704","","104.735","","89.852","","329.882","","","","","","","","","","","","Murfreesboro, Arkansas, USA","8","C 1","C 1","1","","","Kaolinite","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al3.984 Ca0.024 Fe0.032 H8 Mg0.016 O18 Si3.912 Ti0.036 -","2","","","Lee, S.; Xu, H.","Using complementary methods of synchrotron radiation powder diffraction and pair distribution functions to refine crystal structures with high quality parameters - A review Note: X-ray data, chemistry data provided by author","Minerals","2020","10","","","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017767","5.1528","","8.9415","","7.3985","","91.715","","104.756","","89.866","","329.482","","","","","","","","","","","","Murfreesboro, Arkansas, USA","8","C 1","C 1","1","","","Kaolinite","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al3.984 Ca0.024 Fe0.032 H8 Mg0.016 O18 Si3.912 Ti0.036 -","2","","","Lee, S.; Xu, H.","Using complementary methods of synchrotron radiation powder diffraction and pair distribution functions to refine crystal structures with high quality parameters - A review Note: Neutron data, chemistry data provided by author","Minerals","2020","10","","","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017768","5.148","","5.148","","13.649","","90","","90","","120","","313.263","","","","","","","","","","","","Ries impact structure, Germany","4","R -3 :H","-R 3","148","","","Wangdaodeite","- Fe0.92 Mn0.08 O3 Ti -","- Fe5.52 Mn0.48 O18 Ti6 -","- Fe5.52 Mn0.48 O18 Ti6 -","","","","Tschauner, O.; Ma, C.; Newville, M. G.; Lanzirotti, A.","Structure analysis of natural wangdaodeite - LiNbO3-type FeTiO3","Minerals","2020","10","","","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017769","8.73885","","8.73885","","8.1277","","90","","90","","90","","620.692","","","","","","","","","","","","Chuktukon Carbonatite Massif, Russia","6","P 4 b m","P 4 -2ab","100","","","Rippite","- K Nb0.96 O7 Si2 Ti0.02 Zr0.01 -","- K4 Nb3.84 O28 Si8 Ti0.08 Zr0.04 -","- K4 Nb3.84 O28 Si8 Ti0.08 Zr0.04 -","","","","Sharygin, V. V.; Doroshkevich, A. G.; Seryotkin, Y. V.; Karmanov, N. S.; Belogub, E. V.; Moroz, T. N.; Nigmatulina, E. N.; Yelisseyev, A. P.; Vedenyapin, V. N.; Kupriyanov, I. N.","Rippite, K2(Nb,Ti)2(Si4O12)O(O,F), a new K-Nb-cyclosilicate from Chuktukon Carbonatite Massif, Chadobets Upland, Krasnoyarsk Territory, Russia","Minerals","2020","10","","","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017770","4.7853","","4.7853","","4.463","","90","","90","","120","","88.507","","","","","","","","","","","","Mt Carmel, Israel","2","P 63/m m c","-P 6c 2c","194","","","Oreillyite","- Cr N0.47 -","- Cr2 N0.94 -","- Cr2 N0.94 -","","","","Bindi, L.; Camara, F.; Gain, S. E. M.; Griffin, W. L.; Huang, J.; Saunders, M.; Toledo, V.","Kishonite, VH2, and oreillyite, Cr2N, two new minerals from the corundum xenocrysts of Mt Carmel, Northern Israel","Minerals","2020","10","","","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017771","4.268","","4.268","","4.268","","90","","90","","90","","77.745","","","","","","","","","","","","Mt Carmel, Israel","3","F m -3 m","-F 4 2 3","225","","","Kishonite","- Al0.04 H2 V0.96 -","- Al0.16 H8 V3.84 -","- Al0.16 H8 V3.84 -","","","","Bindi, L.; Camara, F.; Gain, S. E. M.; Griffin, W. L.; Huang, J.; Saunders, M.; Toledo, V.","Kishonite, VH2, and oreillyite, Cr2N, two new minerals from the corundum xenocrysts of Mt Carmel, Northern Israel","Minerals","2020","10","","","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017863","6.9103","","7.634","","7.643","","90","","118.002","","90","","355.992","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","- H8 Mg4 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017864","6.8909","","7.6222","","7.592","","90","","117.984","","90","","352.137","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg0.764 Ni0.236 O5 S -","- H8 Mg3.056 Ni0.944 O20 S4 -","- H8 Mg3.056 Ni0.944 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017865","6.8586","","7.6202","","7.5448","","90","","117.842","","90","","348.674","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Mg0.475 Ni0.525 O5 S -","- H8 Mg1.9008 Ni2.0992 O20 S4 -","- H8 Mg1.9008 Ni2.0992 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017866","6.8446","","7.6144","","7.5018","","90","","117.804","","90","","345.837","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Mg0.241 Ni0.759 O5 S -","- H8 Mg0.9628 Ni3.0372 O20 S4 -","- H8 Mg0.9628 Ni3.0372 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017867","6.829","","7.6047","","7.4626","","90","","117.749","","90","","342.981","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","- H8 Ni4 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017868","6.8252","","7.607","","7.4587","","90","","117.724","","90","","342.794","","","","273.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","- H8 Ni4 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = 0 C","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017869","6.8115","","7.6122","","7.4444","","90","","117.629","","90","","341.98","","","","193.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","- H8 Ni4 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = -80 C","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017870","6.8037","","7.6178","","7.4371","","90","","117.58","","90","","341.658","","","","113.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","- H8 Ni4 O20 S4 -","","","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = -160 C","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017874","9.4958","","13.6758","","13.4696","","90","","90.398","","90","","1749.16","","","","","","","","","","","","Vilatte-Haute pegmatite, Limousin, Haute-Vienne, France","6","P 1 21/c 1","-P 2ybc","14","","","Limousinite","- Ba0.946 Be4 Ca0.954 H11.684 O21.559 P4 -","- Ba0.946 Be4 Ca0.954 H11.684 O21.559 P4 -","- Ba3.784 Be16 Ca3.816 H46.736 O86.236 P16 -","4","1","","Hatert, F.; Dal Bo, F.; Bruni, Y.; Meisser, N.; Vignola, P.; Risplendente, A.; Chatenet, F. X.; Lebocey, J.","Limousinite, BaCa[Be4P4O16]*6H2O, a new beryllophosphate mineral with a phillipsite-type framework","The Canadian Mineralogist","2020","58","","815","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","283865","2023-05-18","12:48:10",""
"9017908","10.9636","","10.9636","","10.9636","","90","","90","","90","","1317.83","","","","","","","","","","","","Pribram, Czech Republic","5","I -4 3 m","I -4 2 3","217","","","Posepnyite","- Ag0.42 Cu6.678 Hg2.922 Sb4 Se12.576 -","- Ag0.84 Cu13.356 Hg5.844 Sb8 Se25.152 -","- Ag0.84 Cu13.356 Hg5.844 Sb8 Se25.152 -","","","","Skacha, P.; Sejkora, J.; Plasil, J.; Makovicky, E.","Posepnyite, a new Hg-rich member of the tetrahedrite group from Pribram, Czech Republic","Journal of Geosciences","2020","65","","173","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""